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3M8M
1.05 A Structure of Manganese-free Manganese Peroxidase
Ultrahigh (0.93 Å) Resolution Structure of Manganese Peroxidase from Phanerochaete chrysosporium: Implications for the Catalytic Mechanism†,£ Munirathinam Sundaramoorthy‡,*, Michael H. Gold∥, and Thomas L. Poulos⊥ ‡ Department of Biochemistry, Vanderbilt University Medical Center, Nashville, TN 37232 ∥ Department of Bi...
3M8U
Crystal structure of glutathione-binding protein A (GbpA) from Haemophilus parasuis SH0165 in complex with glutathione disulfide (GSSG)
Glutathione import in Haemophilus influenzae Rd is primed by the periplasmic heme-binding protein HbpA Bjorn Vergauwen1, Jonathan Elegheert, Ann Dansercoer, Bart Devreese, and Savvas N. Savvides1 Laboratory for Protein Biochemistry and Biomolecular Engineering (L-ProBE), Department of Biochemistry and Microbiology, Ghe...
3M8W
Phosphopentomutase from Bacillus cereus
Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle* Received for publication,November 7, 2010, and in revised form, December 14, 2010 Published, JBC Papers in Press,December 30, 2010, DOI 10.1074/jbc.M110.201350 Timothy D. Panosian‡,...
3M8Y
Phosphopentomutase from Bacillus cereus after glucose-1,6-bisphosphate activation
Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle* Received for publication,November 7, 2010, and in revised form, December 14, 2010 Published, JBC Papers in Press,December 30, 2010, DOI 10.1074/jbc.M110.201350 Timothy D. Panosian‡,...
3M8Z
Phosphopentomutase from Bacillus cereus bound with ribose-5-phosphate
Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle* Received for publication,November 7, 2010, and in revised form, December 14, 2010 Published, JBC Papers in Press,December 30, 2010, DOI 10.1074/jbc.M110.201350 Timothy D. Panosian‡,...
3M91
Crystal structure of the prokaryotic ubiquitin-like protein (Pup) complexed with the amino terminal coiled coil of the Mycobacterium tuberculosis proteasomal ATPase Mpa
Binding-induced folding of prokaryotic ubiquitin-like protein on the Mycobacterium proteasomal ATPase targets substrates for degradation Tao Wang1, K. Heran Darwin2, and Huilin Li1,3 1Biology Department, Brookhaven National Laboratory, Upton, NY 11973-5000 2New York University School of Medicine, Department of Microb...
3M93
Complex crystal structure of Ascaris suum eIF4E-3 with m7G cap
Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation Weizhi Liu1, Marzena Jankowska-Anyszka2, Karolina Piecyk1,2, Laura Dickson1, Adam Wallace1, Anna Niedzwiecka3,4, Janusz Stepinski3, Ryszard Stolarski3, Edward Darzynkiewicz3, Jeffrey Kieft1, Rui Zhao1, David N. M....
3M94
Complex crystal structure of Ascaris suum eIF4E-3 with m2,2,7G cap
Structural basis for nematode eIF4E binding an m2,2,7G-Cap and its implications for translation initiation Weizhi Liu1, Marzena Jankowska-Anyszka2, Karolina Piecyk1,2, Laura Dickson1, Adam Wallace1, Anna Niedzwiecka3,4, Janusz Stepinski3, Ryszard Stolarski3, Edward Darzynkiewicz3, Jeffrey Kieft1, Rui Zhao1, David N. M....
3M95
Crystal structure of autophagy-related protein Atg8 from the silkworm Bombyx mori
structural communications Acta Cryst. (2010). F66, 787–790 doi:10.1107/S1744309110018464 787 Acta Crystallographica Section F Structural Biology and Crystallization Communications ISSN 1744-3091 Structure of autophagy-related protein Atg8 from the silkworm Bombyx mori Chen Hu, Xuan Zhang, Yan-Bin Teng, Hai-Xi Hu and We...
3M99
Structure of the Ubp8-Sgf11-Sgf73-Sus1 SAGA DUB module
Structural Basis for Assembly and Activation of the Hetero- tetrameric SAGA Histone H2B Deubiquitinase Module Alwin Köhler1,3,*, Erik Zimmerman2, Maren Schneider1, Ed Hurt1, and Ning Zheng2,* 1 Biochemie-Zentrum der Universität Heidelberg, Im Neuenheimer Feld 328, 69120 Heidelberg, Germany 2 Howard Hughes Medical Insti...
3M9A
Protein structure of type III plasmid segregation TubR
Plasmid protein TubR uses a distinct mode of HTH- DNA binding and recruits the prokaryotic tubulin homolog TubZ to effect DNA partition Lisheng Ni, Weijun Xu, Muthiah Kumaraswami, and Maria A. Schumacher1 Department of Biochemistry and Molecular Biology, University of Texas, M. D. Anderson Cancer Center, Unit 1000, Hou...
3M9B
Crystal structure of the amino terminal coiled coil domain and the inter domain of the Mycobacterium tuberculosis proteasomal ATPase Mpa
Binding-induced folding of prokaryotic ubiquitin-like protein on the Mycobacterium proteasomal ATPase targets substrates for degradation Tao Wang1, K. Heran Darwin2, and Huilin Li1,3 1Biology Department, Brookhaven National Laboratory, Upton, NY 11973-5000 2New York University School of Medicine, Department of Microb...
3M9D
Crystal structure of the prokaryotic ubiquintin-like protein Pup complexed with the hexameric proteasomal ATPase Mpa which includes the amino terminal coiled coil domain and the inter domain
Binding-induced folding of prokaryotic ubiquitin-like protein on the Mycobacterium proteasomal ATPase targets substrates for degradation Tao Wang1, K. Heran Darwin2, and Huilin Li1,3 1Biology Department, Brookhaven National Laboratory, Upton, NY 11973-5000 2New York University School of Medicine, Department of Microb...
3M9H
Crystal structure of the amino terminal coiled coil domain of the Mycobacterium tuberculosis proteasomal ATPase Mpa
Binding-induced folding of prokaryotic ubiquitin-like protein on the Mycobacterium proteasomal ATPase targets substrates for degradation Tao Wang1, K. Heran Darwin2, and Huilin Li1,3 1Biology Department, Brookhaven National Laboratory, Upton, NY 11973-5000 2New York University School of Medicine, Department of Microb...
3M9I
Electron crystallographic structure of lens Aquaporin-0 (AQP0) (lens MIP) in E. coli polar lipids
EMBO open Principles of membrane protein interactions with annular lipids deduced from aquaporin-0 2D crystals This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits distribution,andreproductioninanymedium,providedtheoriginalauthorandsourcearecredited.Thisl...
3M9J
Crystal structure of human thioredoxin C69/73S double mutant, reduced form
PROTEIN STRUCTURE REPORT Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site Andrzej Weichsel, Michelle Kem, and William R. Montfort* Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721 Received 20 May 2010; Accepted 6 July 2010 DOI: 10.1...
3M9K
Crystal structure of human thioredoxin C69/73S double-mutant, oxidized form
PROTEIN STRUCTURE REPORT Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site Andrzej Weichsel, Michelle Kem, and William R. Montfort* Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721 Received 20 May 2010; Accepted 6 July 2010 DOI: 10.1...
3M9M
Crystal Structure of Dpo4 in complex with DNA containing the major cisplatin lesion
Structural insight into dynamic bypass of the major cisplatin-DNA adduct by Y-family polymerase Dpo4 Jimson HY Wong1, Jessica A Brown2, Zucai Suo2, Paul Blum3, Takehiko Nohmi4 and Hong Ling1,* 1Department of Biochemistry, University of Western Ontario, London, Ontario, Canada, 2Department of Biochemistry, The Ohio Stat...
3M9N
Crystal Structure of Dpo4 in complex with DNA containing the major cisplatin lesion
Structural insight into dynamic bypass of the major cisplatin-DNA adduct by Y-family polymerase Dpo4 Jimson HY Wong1, Jessica A Brown2, Zucai Suo2, Paul Blum3, Takehiko Nohmi4 and Hong Ling1,* 1Department of Biochemistry, University of Western Ontario, London, Ontario, Canada, 2Department of Biochemistry, The Ohio Stat...
3M9O
Crystal Structure of Dpo4 in complex with DNA containing the major cisplatin lesion
Structural insight into dynamic bypass of the major cisplatin-DNA adduct by Y-family polymerase Dpo4 Jimson HY Wong1, Jessica A Brown2, Zucai Suo2, Paul Blum3, Takehiko Nohmi4 and Hong Ling1,* 1Department of Biochemistry, University of Western Ontario, London, Ontario, Canada, 2Department of Biochemistry, The Ohio Stat...
3M9Q
Drosophila MSL3 chromodomain
Corecognition of DNA and a methylated histone tail by MSL3 chromodomain Daesung Kim1, Bartlomiej J. Blus1, Vikas Chandra2, Pengxiang Huang2, Fraydoon Rastinejad1,2,3, and Sepideh Khorasanizadeh1 1Department of Biochemistry and Molecular Genetics, University of Virginia Health System, Charlottesville, VA 22908, USA 2...
3MA7
Crystal structure of Cardiolipin bound to mouse CD1D
Cardiolipin Binds to CD1d and Stimulates CD1d-Restricted γδ T cells in the Normal Murine Repertoire,1,2 Mélanie Dieudé*,3, Harald Striegl†, Aaron J. Tyznik‡, Jing Wang†, Samuel M. Behar§, Ciriaco A. Piccirillo¶, Jerrold S. Levine||, Dirk M. Zajonc4,5,†, and Joyce Rauch*,4,5 * Division of Rheumatology, The Research Inst...
3MA9
Crystal structure of gp41 derived protein complexed with fab 8066
Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41 Elena Gustchina1., Mi Li2,3., John M. Louis1., D. Eric Anderson4, John Lloyd4, Christian Frisch5, Carole A. Bewley6, Alla Gustchina2*, Alexander Wlodawer2*, G. Marius Clore1* 1 Laboratory of Chem...
3MAA
Complex of GS-Alpha with the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with Adenosine 5-O-(l-Thiophosphate) and Low Ca Concentration
STRUCTURAL BASIS FOR INHIBITION OF MAMMALIAN ADENYLYL CYCLASE BY CALCIUM† Tung—Chung Mou‡, Nanako Masada§, Dermot M. F. Cooper‡, and Stephen R. Sprang‡,* ‡Center for Biomolecular Structure and Dynamics and the Division of Biological Sciences, The University of Montana, Missoula, MT 59812 §Department of Pharmacology, Un...
3MAC
crystal structure of GP41-derived protein complexed with fab 8062
Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41 Elena Gustchina1., Mi Li2,3., John M. Louis1., D. Eric Anderson4, John Lloyd4, Christian Frisch5, Carole A. Bewley6, Alla Gustchina2*, Alexander Wlodawer2*, G. Marius Clore1* 1 Laboratory of Chem...
3MAG
VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M3ADE AND S-ADENOSYLHOMOCYSTEINE
Proc. Natl. Acad. Sci. USA Vol. 96, pp. 7149–7154, June 1999 Biochemistry mRNA cap recognition: Dominant role of enhanced stacking interactions between methylated bases and protein aromatic side chains GUANGHUI HU*, PAUL D. GERSHON†, ALEC E. HODEL‡, AND FLORANTE A. QUIOCHO*‡§ *Graduate Program in Structural and Computa...
3MAL
Crystal structure of the SDF2-like protein from Arabidopsis thaliana
Arabidopsis Stromal-derived Factor2 (SDF2) Is a Crucial Target of the Unfolded Protein Response in the Endoplasmic Reticulum*□ S Received for publication,February 23, 2010, and in revised form, March 24, 2010 Published, JBC Papers in Press,April 8, 2010, DOI 10.1074/jbc.M110.117176 Andrea Schott‡1, Ste´phanie Ravaud§1,...
3MAQ
Crystal structure of E.coli Pol II-normal DNA-dGTP ternary complex
Structural Insight Into Translesion Synthesis By DNA Pol II Feng Wang and Wei Yang Laboratory of Molecular Biology, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, 9000 Rockville Pike, Bldg. 5, Rm B1-03, Bethesda, MD 20892, USA Summary E. coli DNA Pol II and eukaryotic R...
3MAV
Crystal structure of Plasmodium vivax putative farnesyl pyrophosphate synthase (Pv092040)
Molecular Characterization of a Novel Geranylgeranyl Pyrophosphate Synthase from Plasmodium Parasites*□ S Received for publication,June 11, 2009, and in revised form, November 3, 2010 Published, JBC Papers in Press,November 17, 2010, DOI 10.1074/jbc.M109.027235 Jennifer D. Artz‡, Amy K. Wernimont‡, James E. Dunford§¶, ...
3MAW
Structure of the Newcastle disease virus F protein in the post-fusion conformation
Structure of the Newcastle disease virus F protein in the post- fusion conformation Kurt Swanson1,2,4,5, Xiaolin Wen3,4, George P. Leser2, Reay G. Paterson2, Robert A. Lamb1,2,*, and Theodore S. Jardetzky3,* 1Howard Hughes Medical Institute, Northwestern University, Evanston, IL 60208-3500. 2Department of Biochemistry,...
3MAY
Crystal structure of a secreted Mycobacterium tuberculosis heme-binding protein
Discovery and characterization of a unique mycobacterial heme acquisition system Michael V. Tulliusa,1, Christine A. Harmstonb,1, Cedric P. Owensb, Nicholas Chimb, Robert P. Morseb, Lisa M. McMathb, Angelina Iniguezb, Jacqueline M. Kimmeya, Michael R. Sawayac, Julian P. Whitelegged, Marcus A. Horwitza, and Celia W. Gou...
3MAZ
Crystal Structure of the Human BRDG1/STAP-1 SH2 Domain in Complex with the NTAL pTyr136 Peptide
Loops Govern SH2 Domain Specificity by Controlling Access to Binding Pockets Tomonori Kaneko1, Haiming Huang1,*, Bing Zhao1, Lei Li1, Huadong Liu1, Courtney K. Voss1, Chenggang Wu1, Martin R. Schiller2, and Shawn Shun-Cheng Li1,3,† 1Department of Biochemistry and the Siebens-Drake Research Institute, Schulich School ...
3MB2
Kinetic and Structural Characterization of a Heterohexamer 4-Oxalocrotonate Tautomerase from Chloroflexus aurantiacus J-10-fl: Implications for Functional and Structural Diversity in the Tautomerase Superfamily
Kinetic and Structural Characterization of a Heterohexamer 4- Oxalocrotonate Tautomerase from Chloroflexus aurantiacus J-10-fl: Implications for Functional and Structural Diversity in the Tautomerase Superfamily† Elizabeth A. Burks‡, Chris D. Fleming§, Andrew D. Mesecar§, Christian P. Whitman‡,*, and Scott D. Pegan§,||...
3MB3
Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP)
Resource Histone Recognition and Large-Scale Structural Analysis of the Human Bromodomain Family Panagis Filippakopoulos,1,* Sarah Picaud,1 Maria Mangos,3 Tracy Keates,1 Jean-Philippe Lambert,5 Dalia Barsyte-Lovejoy,3 Ildiko Felletar,1 Rudolf Volkmer,6 Susanne Mu¨ ller,1 Tony Pawson,5,7 Anne-Claude Gingras,5,7 Cheryl H...
3MB4
Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP
Resource Histone Recognition and Large-Scale Structural Analysis of the Human Bromodomain Family Panagis Filippakopoulos,1,* Sarah Picaud,1 Maria Mangos,3 Tracy Keates,1 Jean-Philippe Lambert,5 Dalia Barsyte-Lovejoy,3 Ildiko Felletar,1 Rudolf Volkmer,6 Susanne Mu¨ ller,1 Tony Pawson,5,7 Anne-Claude Gingras,5,7 Cheryl H...
3MB5
Crystal structure of P. abyssi tRNA m1A58 methyltransferase in complex with S-adenosyl-L-methionine
Insights into the hyperthermostability and unusual region-specificity of archaeal Pyrococcus abyssi tRNA m1A57/58 methyltransferase Amandine Guelorget1, Martine Roovers2, Vincent Gue´ rineau3, Carole Barbey4, Xuan Li1 and Be´ atrice Golinelli-Pimpaneau1,* 1Laboratoire d’Enzymologie et Biochimie Structurales, CNRS, 1 av...
3MB8
Crystal structure of purine nucleoside phosphorylase from toxoplasma gondii in complex with immucillin-H
Inhibition and Structure of Toxoplasma gondii Purine Nucleoside Phosphorylase Teraya M. Donaldson,a María B. Cassera,b Meng-Chiao Ho,b Chenyang Zhan,b Emilio F. Merino,b Gary B. Evans,c Peter C. Tyler,c Steven C. Almo,b Vern L. Schramm,b Kami Kima,d,e Departments of Microbiology and Immunology,a Biochemistry,b Patholog...
3MBD
Crystal structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi, bound to phosphate
structural communications Acta Cryst. (2011). F67, 1055–1059 doi:10.1107/S1744309111021841 1055 Acta Crystallographica Section F Structural Biology and Crystallization Communications ISSN 1744-3091 Structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi Anna Gardberg,a* Banumathi Sankaran,b Doug Davie...
3MBE
TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27)
Research article 1578 The Journal of Clinical Investigation      http://www.jci.org      Volume 120      Number 5      May 2010 The diabetogenic mouse MHC class II molecule I-Ag7 is endowed with a switch that modulates TCR affinity Kenji Yoshida,1 Adam L. Corper,2 Rana Herro,1 Bana Jabri,3 Ian A. Wilson,2,4 and Luc...
3MBF
Crystal structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi, bound to fructose 1,6-bisphosphate
structural communications Acta Cryst. (2011). F67, 1055–1059 doi:10.1107/S1744309111021841 1055 Acta Crystallographica Section F Structural Biology and Crystallization Communications ISSN 1744-3091 Structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi Anna Gardberg,a* Banumathi Sankaran,b Doug Davie...
3MBG
Crystal Structure of Human Augmenter of Liver Regeneration (ALR)
Structure of the human sulfhydryl oxidase augmenter of liver regeneration and characterization of a human mutation causing an autosomal recessive myopathy, †,‡ Vidyadhar N. Daithankar, Stephanie A. Schaefer, Ming Dong, Brian J. Bahnson*, and Colin Thorpe* Department of Chemistry and Biochemistry, University of Delaware...
3MBK
The 1.35 A Structure of the Phosphatase Domain of the Suppressor of T Cell Receptor Signalling Protein in Complex with Sulphate
structural communications Acta Cryst. (2010). F66, 643–647 doi:10.1107/S1744309110014259 643 Acta Crystallographica Section F Structural Biology and Crystallization Communications ISSN 1744-3091 The 1.35 A˚ resolution structure of the phosphatase domain of the suppressor of T-cell receptor signaling protein in complex ...
3MBM
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-b][1,3]thiazol-6-ylmethanol
Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei Darren W. Begley • Robert C. Hartley • Douglas R. Davies • Thomas E. Edwards • Jess T. Leonard • Jan Abendroth • Courtney A. Burris • Janhavi Bhandari • Peter J. Myler • Bart L. S...
3MBS
Crystal structure of 8mer PNA
The Crystal Structure of Non-Modified and Bipyridine-Modified PNA Duplexes Prof. Joanne I. Yeh[a],*, Dr. Ehmke Pohl[b], Daphne Truan[c], Dr. Wei He[d], Prof. George M. Sheldrick[e], Shoucheng Du[a], and Prof. Catalina Achim[d],* [a]Department of Structural Biology University of Pittsburgh Medical School Pittsburgh, PA ...
3MBU
Structure of a bipyridine-modified PNA duplex
The Crystal Structure of Non-Modified and Bipyridine-Modified PNA Duplexes Prof. Joanne I. Yeh[a],*, Dr. Ehmke Pohl[b], Daphne Truan[c], Dr. Wei He[d], Prof. George M. Sheldrick[e], Shoucheng Du[a], and Prof. Catalina Achim[d],* [a]Department of Structural Biology University of Pittsburgh Medical School Pittsburgh, PA ...
3MBW
Crystal structure of the human ephrin A2 LBD and CRD domains in complex with ephrin A1
Architecture of Eph receptor clusters Juha P. Himanena,1, Laila Yermekbayevab,1, Peter W. Janesc,1, John R. Walkerb,1, Kai Xua, Lakmali Atapattuc, Kanagalaghatta R. Rajashankard, Anneloes Mensingac, Martin Lackmannc,2, Dimitar B. Nikolova,2, and Sirano Dhe-Paganonb,e,2 aStructural Biology Program, Memorial Sloan-Ketter...
3MBY
Ternary complex of DNA Polymerase BETA with template base A and 8oxodGTP in the active site with a dideoxy terminated primer
Mutagenic conformation of 8-oxo-7,8-dihydro-2′-dGTP in the confines of a DNA polymerase active site Vinod K. Batra, William A. Beard, Esther W. Hou, Lars C. Pedersen, Rajendra Prasad, and Samuel H. Wilson* Laboratory of Structural Biology, National Institute of Environmental Health Sciences, National Institutes of H...
3MBZ
OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min
Design, Synthesis and Crystal Structures of 6-Alkylidene-2’- Substituted Penicillanic Acid Sulfones as Potent Inhibitors of Acinetobacter baumannii OXA-24 Carbapenemase German Bou¶,1, Elena Santillana¶,2, Anjaneyulu Sheri3, Alejandro Beceiro¶,1, Jared Sampson4, Matthew Kalp4, Christopher R. Bethel5, Anne M. Distler6, S...
3MC0
Crystal Structure of Staphylococcal Enterotoxin G (SEG) in Complex with a Mouse T-cell Receptor beta Chain
Crystal Structure of Staphylococcal Enterotoxin G (SEG) in Complex with a Mouse T-cell Receptor  Chain* Received for publication,May 10, 2010, and in revised form, September 20, 2010 Published, JBC Papers in Press,November 8, 2010, DOI 10.1074/jbc.M110.142471 Marisa M. Ferna´ndez‡§, Sangwoo Cho§, Mauricio C. De Marzi‡...
3MC2
Crystal Structure of the Murine Inhibitor of Carbonic Anhydrase
The structure and evolution of the murine inhibitor of carbonic anhydrase: A member of the transferrin superfamily Brian E. Eckenroth,1 Anne B. Mason,1 Meghan E. McDevitt,2 Lisa A. Lambert,2 and Stephen J. Everse1* 1Department of Biochemistry, University of Vermont, Burlington, Vermont 05405 2Department of Biology, Cha...
3MC8
POTRA1-3 of the periplasmic domain of Omp85 from Anabaena
Conserved Properties of Polypeptide Transport-associated (POTRA) Domains Derived from Cyanobacterial Omp85*□ S Received for publication,February 9, 2010, and in revised form, March 22, 2010 Published, JBC Papers in Press,March 26, 2010, DOI 10.1074/jbc.M110.112649 Patrick Koenig‡1, Oliver Mirus§1, Raimund Haarmann§, Ma...
3MC9
POTRA1-2 of the periplasmic domain of Omp85 from Anabaena
Conserved Properties of Polypeptide Transport-associated (POTRA) Domains Derived from Cyanobacterial Omp85*□ S Received for publication,February 9, 2010, and in revised form, March 22, 2010 Published, JBC Papers in Press,March 26, 2010, DOI 10.1074/jbc.M110.112649 Patrick Koenig‡1, Oliver Mirus§1, Raimund Haarmann§, Ma...
3MCB
Crystal structure of NAC domains of human nascent polypeptide-associated complex (NAC)
RESEARCH ARTICLE Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its αNAC subunit Lanfeng Wang1, Wenchi Zhang1, Lu Wang1, Xuejun C.Zhang1, Xuemei Li1, Zihe Rao1,2,3✉ 1 National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Roa...
3MCD
Crystal structure of Helicobacter pylori MinE, a cell division topological specificity factor
Crystal structure of Helicobacter pylori MinE, a cell division topological specificity factormmi_7160 1222..1231 Gil Bu Kang,1† Hye-Eun Song,1† Mun-Kyoung Kim,1 Hyung-Seop Youn,1 Jung-Gyu Lee,1 June Yop An,1 Jang-Soo Chun,1 Hyesung Jeon2 and Soo Hyun Eom1* 1School of Life Science, Gwangju Institute of Science & Technolo...
3MCE
Crystal structure of the NAC domain of alpha subunit of nascent polypeptide-associated complex(NAC)
RESEARCH ARTICLE Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its αNAC subunit Lanfeng Wang1, Wenchi Zhang1, Lu Wang1, Xuejun C.Zhang1, Xuemei Li1, Zihe Rao1,2,3✉ 1 National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Roa...
3MCH
Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8
structural communications 2 doi:10.1107/S1744309110035037 Acta Cryst. (2011). F67, 2–16 Acta Crystallographica Section F Structural Biology and Crystallization Communications ISSN 1744-3091 Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic or...
3MCI
Crystal structure of molybdenum cofactor biosynthesis (AQ_061) from aquifex aeolicus VF5
structural communications 2 doi:10.1107/S1744309110035037 Acta Cryst. (2011). F67, 2–16 Acta Crystallographica Section F Structural Biology and Crystallization Communications ISSN 1744-3091 Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic or...
3MCJ
Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex aeolicus VF5
structural communications 2 doi:10.1107/S1744309110035037 Acta Cryst. (2011). F67, 2–16 Acta Crystallographica Section F Structural Biology and Crystallization Communications ISSN 1744-3091 Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic or...
3MCM
Crystal Structure of the 6-hyroxymethyl-7,8-dihydropterin pyrophosphokinase dihydropteroate synthase bifunctional enzyme from Francisella tularensis
Crystal Structure of the 6-Hydroxymethyl-7,8- Dihydropterin PyrophosphokinaseNDihydropteroate Synthase Bifunctional Enzyme from Francisella tularensis Charles W. Pemble IV1¤a, Perdeep K. Mehta2, Smriti Mehra1¤b, Zhenmei Li1, Amanda Nourse3, Richard E. Lee4*, Stephen W. White1,5* 1 Department of Structural Biology, St. ...
3MCN
Crystal Structure of the 6-hyroxymethyl-7,8-dihydropterin pyrophosphokinase dihydropteroate synthase bifunctional enzyme from Francisella tularensis
Crystal Structure of the 6-Hydroxymethyl-7,8- Dihydropterin PyrophosphokinaseNDihydropteroate Synthase Bifunctional Enzyme from Francisella tularensis Charles W. Pemble IV1¤a, Perdeep K. Mehta2, Smriti Mehra1¤b, Zhenmei Li1, Amanda Nourse3, Richard E. Lee4*, Stephen W. White1,5* 1 Department of Structural Biology, St. ...
3MCO
Crystal Structure of the 6-hyroxymethyl-7,8-dihydropterin pyrophosphokinase dihydropteroate synthase bifunctional enzyme from Francisella tularensis
Crystal Structure of the 6-Hydroxymethyl-7,8- Dihydropterin PyrophosphokinaseNDihydropteroate Synthase Bifunctional Enzyme from Francisella tularensis Charles W. Pemble IV1¤a, Perdeep K. Mehta2, Smriti Mehra1¤b, Zhenmei Li1, Amanda Nourse3, Richard E. Lee4*, Stephen W. White1,5* 1 Department of Structural Biology, St. ...
3MCT
VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M3CYT AND S-ADENOSYLHOMOCYSTEINE
Proc. Natl. Acad. Sci. USA Vol. 96, pp. 7149–7154, June 1999 Biochemistry mRNA cap recognition: Dominant role of enhanced stacking interactions between methylated bases and protein aromatic side chains GUANGHUI HU*, PAUL D. GERSHON†, ALEC E. HODEL‡, AND FLORANTE A. QUIOCHO*‡§ *Graduate Program in Structural and Computa...
3MCV
Structure of PTR1 from Trypanosoma brucei in ternary complex with 2,4-diamino-5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]-pyrimidine and NADP+
High-resolution structures of Trypanosoma brucei pteridine reductase ligand complexes inform on the placement of new molecular entities in the active site of a potential drug target Alice Dawson, Lindsay B. Tulloch‡, Keri L. Barrack, and William N. Hunter* Division of Biological Chemistry and Drug Discovery, College of...
3MCY
Crystal structure of FimH lectin domain bound to biphenyl mannoside meta-methyl ester.
Structure-Based Drug Design and Optimization of Mannoside Bacterial FimH Antagonists Zhenfu Han†,¥, Jerome S. Pinkner‡,¥, Bradley Ford±,¥, Robert Obermann†, William Nolan†, Scott A. Wildman†, Doug Hobbs†, Tom Ellenberger†, Corinne K. Cusumano‡, Scott J. Hultgren‡,*, and James W. Janetka†,* †Department of Biochemistry a...
3MD0
Crystal structure of arginine/ornithine transport system ATPase from Mycobacterium tuberculosis bound to GDP (a RAS-like GTPase superfamily protein)
Crystal structures of Mycobacterial MeaB and MMAA-like GTPases Thomas E. Edwards, Beryllium, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Bainbridge Island, WA, 98110 USA and Bedford, MA, 01730 USA Loren Baugh, Seattle Biomedical Research Institute, Seattle Structural Genomics Center for Infect...
3MD7
Crystal structure of a beta-lactamase-like protein bound to GMP from brucella melitensis
structural communications 1106 doi:10.1107/S1744309111010220 Acta Cryst. (2011). F67, 1106–1112 Acta Crystallographica Section F Structural Biology and Crystallization Communications ISSN 1744-3091 BrabA.11339.a: anomalous diffraction and ligand binding guide towards the elucidation of the function of a ‘putative b-lac...
3MDA
DNA polymerase lambda in complex with araC
Interaction between DNA Polymerase  and Anticancer Nucleoside Analogs* Received for publication,December 18, 2009, and in revised form, March 12, 2010 Published, JBC Papers in Press,March 26, 2010, DOI 10.1074/jbc.M109.094391 Miguel Garcia-Diaz‡1, Michael S. Murray‡, Thomas A. Kunkel‡, and Kai-ming Chou§2 From the ‡La...
3MDC
DNA polymerase lambda in complex with dFdCTP
Interaction between DNA Polymerase  and Anticancer Nucleoside Analogs* Received for publication,December 18, 2009, and in revised form, March 12, 2010 Published, JBC Papers in Press,March 26, 2010, DOI 10.1074/jbc.M109.094391 Miguel Garcia-Diaz‡1, Michael S. Murray‡, Thomas A. Kunkel‡, and Kai-ming Chou§2 From the ‡La...
3MDD
CRYSTAL STRUCTURES OF MEDIUM CHAIN ACYL-COA DEHYDROGENASE FROM PIG LIVER MITOCHONDRIA WITH AND WITHOUT SUBSTRATE
Proc. Natl. Acad. Sci. USA Vol. 90, pp. 7523-7527, August 1993 Biochemistry Crystal structures of medium-chain acyl-CoA dehydrogenase from pig liver mitochondria with and without substrate (x-ray crystaloraphy/flavoprotein/actve site/fatty ad oxidation) JUNG-JA P. KIM*, MING WANG, AND ROSEMARY PASCHKE Department of Bio...
3MDE
CRYSTAL STRUCTURES OF MEDIUM CHAIN ACYL-COA DEHYDROGENASE FROM PIG LIVER MITOCHONDRIA WITH AND WITHOUT SUBSTRATE
Proc. Natl. Acad. Sci. USA Vol. 90, pp. 7523-7527, August 1993 Biochemistry Crystal structures of medium-chain acyl-CoA dehydrogenase from pig liver mitochondria with and without substrate (x-ray crystaloraphy/flavoprotein/actve site/fatty ad oxidation) JUNG-JA P. KIM*, MING WANG, AND ROSEMARY PASCHKE Department of Bio...
3MDF
Crystal structure of the RRM domain of Cyclophilin 33
Molecular mechanism of MLL PHD3 and RNA recognition by the Cyp33 RRM domain Robert A. Hom1, Pei-Yun Chang2, Siddhartha Roy1,5, Catherine A. Musselman1,5, Karen C. Glass1,5, Anna I. Selezneva3, Or Gozani4, Rustem F. Ismagilov3, Michael L. Cleary2, and Tatiana G. Kutateladze1 1Department of Pharmacology, University of Co...
3MDG
Crystal Structure of the 25kDa Subunit of Human Cleavage factor Im in complex with RNA UUGUAU
Structural basis of UGUA recognition by the Nudix protein CFIm25 and implications for a regulatory role in mRNA 3′ processing Qin Yang, Gregory M. Gilmartin1, and Sylvie Doublié1 Department of Microbiology and Molecular Genetics, Stafford Hall, University of Vermont, Burlington, VT 05405 Edited by Joan A. Steitz, Howar...
3MDI
Crystal Structure of the 25kDa Subunit of Human Cleavage factor Im in complex with RNA UGUAAA
Structural basis of UGUA recognition by the Nudix protein CFIm25 and implications for a regulatory role in mRNA 3′ processing Qin Yang, Gregory M. Gilmartin1, and Sylvie Doublié1 Department of Microbiology and Molecular Genetics, Stafford Hall, University of Vermont, Burlington, VT 05405 Edited by Joan A. Steitz, Howar...
3MDJ
ER Aminopeptidase, ERAP1, Bound to the Zinc Aminopeptidase Inhibitor, Bestatin
Structural Basis For Antigenic Peptide Precursor Processing by the Endoplasmic Reticulum Aminopeptidase ERAP1 Tina T. Nguyen1, Shih-Chung Chang2,6, Irini Evnouchidou3, Ian A. York4,7, Christos Zikos3, Kenneth L. Rock5, Alfred L. Goldberg2, Efstratios Stratikos3, and Lawrence J. Stern1,5 1Department of Biochemistry an...
3MDL
X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2
The Structural Basis of Endocannabinoid Oxygenation by Cyclooxygenase-2*□ S Received for publication,February 11, 2011, and in revised form, March 28, 2011 Published, JBC Papers in Press,April 13, 2011, DOI 10.1074/jbc.M111.230367 Alex J. Vecchio and Michael G. Malkowski1 From the Hauptman-Woodward Medical Research Ins...
3MDM
Thioperamide complex of Cytochrome P450 46A1
Structural Basis of Drug Binding to CYP46A1, an Enzyme That Controls Cholesterol Turnover in the Brain*□ S Received for publication,May 10, 2010, and in revised form, July 14, 2010 Published, JBC Papers in Press,July 28, 2010, DOI 10.1074/jbc.M110.143313 Natalia Mast‡, Casey Charvet‡, Irina A. Pikuleva‡1, and C. David ...
3MDR
Tranylcypromine complex of Cytochrome P450 46A1
Structural Basis of Drug Binding to CYP46A1, an Enzyme That Controls Cholesterol Turnover in the Brain*□ S Received for publication,May 10, 2010, and in revised form, July 14, 2010 Published, JBC Papers in Press,July 28, 2010, DOI 10.1074/jbc.M110.143313 Natalia Mast‡, Casey Charvet‡, Irina A. Pikuleva‡1, and C. David ...
3MDT
Voriconazole complex of Cytochrome P450 46A1
Structural Basis of Drug Binding to CYP46A1, an Enzyme That Controls Cholesterol Turnover in the Brain*□ S Received for publication,May 10, 2010, and in revised form, July 14, 2010 Published, JBC Papers in Press,July 28, 2010, DOI 10.1074/jbc.M110.143313 Natalia Mast‡, Casey Charvet‡, Irina A. Pikuleva‡1, and C. David ...
3MDU
The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-Guanidino-L-Glutamate
Structure of N‑Formimino‑L‑glutamate Iminohydrolase from Pseudomonas aeruginosa Alexander A. Fedorov,§ Ricardo Martí-Arbona,† Venkatesh V. Nemmara,† Daniel Hitchcock,‡ Elena V. Fedorov,§ Steven C. Almo,*,§ and Frank M. Raushel*,†,‡ †Department of Chemistry and ‡Department of Biochemistry & Biophysics, Texas A&M Univers...
3MDV
Clotrimazole complex of Cytochrome P450 46A1
Structural Basis of Drug Binding to CYP46A1, an Enzyme That Controls Cholesterol Turnover in the Brain*□ S Received for publication,May 10, 2010, and in revised form, July 14, 2010 Published, JBC Papers in Press,July 28, 2010, DOI 10.1074/jbc.M110.143313 Natalia Mast‡, Casey Charvet‡, Irina A. Pikuleva‡1, and C. David ...
3MDW
The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-formimino-L-Aspartate
Structure of N‑Formimino‑L‑glutamate Iminohydrolase from Pseudomonas aeruginosa Alexander A. Fedorov,§ Ricardo Martí-Arbona,† Venkatesh V. Nemmara,† Daniel Hitchcock,‡ Elena V. Fedorov,§ Steven C. Almo,*,§ and Frank M. Raushel*,†,‡ †Department of Chemistry and ‡Department of Biochemistry & Biophysics, Texas A&M Univers...
3ME3
Activator-Bound Structure of Human Pyruvate Kinase M2
Pyruvate kinase M2 activators promote tetramer formation and suppress tumorigenesis Dimitrios Anastasiou1,2,§, Yimin Yu3,§, William J. Israelsen3,§, Jian-kang Jiang4, Matthew B. Boxer4, Bum Soo Hong5, Wolfram Tempel5, Svetoslav Dimov5, Min Shen4, Abhishek Jha6, Hua Yang7, Katherine R. Mattaini3, Christian M. Metallo...
3ME6
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel
Structures of Cytochrome P450 2B4 Complexed with the Antiplatelet Drugs Ticlopidine and Clopidogrel†,‡ Sean C. Gay1,4,5, Arthur G. Roberts1,4,5, Keiko Maekawa2, Jyothi C. Talakad1, Wen-Xu Hong3, Qinghai Zhang3, C. David Stout3, and James R. Halpert1 1Skaggs School of Pharmacy and Pharmaceutical Sciences, University of ...
3ME9
Crystal structure of SGF29 in complex with H3K4me3 peptide
Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation Chuanbing Bian1,2,8, Chao Xu2,8, Jianbin Ruan1,8, Kenneth K Lee3,8, Tara L Burke4,8, Wolfram Tempel2, Dalia Barsyte2, Jing Li1, Minhao Wu1, Bo O Zhou5, Brian E Fleharty3, Ariel Paulson3, Abdellah Allali-Hassani2, Jin-Q...
3MEA
Crystal structure of the SGF29 in complex with H3K4me3
Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation Chuanbing Bian1,2,8, Chao Xu2,8, Jianbin Ruan1,8, Kenneth K Lee3,8, Tara L Burke4,8, Wolfram Tempel2, Dalia Barsyte2, Jing Li1, Minhao Wu1, Bo O Zhou5, Brian E Fleharty3, Ariel Paulson3, Abdellah Allali-Hassani2, Jin-Q...
3MEB
Structure of cytoplasmic aspartate aminotransferase from giardia lamblia
molecular parasitology 566 http://dx.doi.org/10.1107/S2053230X15001831 Acta Cryst. (2015). F71, 566–571 Received 2 December 2014 Accepted 27 January 2015 Edited by W. N. Hunter, University of Dundee, Scotland Keywords: aspartate aminotransferase; structural genomics; Seattle Structural Genomics Center for Infectious Di...
3MEH
Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A at cryogenic temperature
Cavities determine the pressure unfolding of proteins Julien Rochea,1, Jose A. Carob,1, Douglas R. Norbertoa,c, Philippe Barthea, Christian Roumestanda, Jamie L. Schlessmand, Angel E. Garciae, Bertrand García-Moreno E.b, and Catherine A. Royera,2 aCentre de Biochimie Structurale, Institut National pour la Santé et la R...
3MEI
Regulatory motif from the thymidylate synthase mRNA
research papers Acta Cryst. (2011). D67, 97–104 doi:10.1107/S0907444910050900 97 Acta Crystallographica Section D Biological Crystallography ISSN 0907-4449 Structure of an RNA dimer of a regulatory element from human thymidylate synthase mRNA Sergey Dibrov,‡ Jaime McLean‡ and Thomas Hermann* Department of Chemistry and...
3MEN
Crystal structure of acetylpolyamine aminohydrolase from Burkholderia pseudomallei, iodide soak
SAD phasing using iodide ions in a high-throughput structural genomics environment Jan Abendroth • Anna S. Gardberg • John I. Robinson • Jeff S. Christensen • Bart L. Staker • Peter J. Myler • Lance J. Stewart • Thomas E. Edwards Received: 19 November 2010 / Accepted: 14 February 2011 / Published online: 27 February 20...
3MET
Crystal structure of SGF29 in complex with H3K4me2
Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation Chuanbing Bian1,2,8, Chao Xu2,8, Jianbin Ruan1,8, Kenneth K Lee3,8, Tara L Burke4,8, Wolfram Tempel2, Dalia Barsyte2, Jing Li1, Minhao Wu1, Bo O Zhou5, Brian E Fleharty3, Ariel Paulson3, Abdellah Allali-Hassani2, Jin-Q...
3MEU
Crystal structure of SGF29 in complex with H3R2me2sK4me3
Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation Chuanbing Bian1,2,8, Chao Xu2,8, Jianbin Ruan1,8, Kenneth K Lee3,8, Tara L Burke4,8, Wolfram Tempel2, Dalia Barsyte2, Jing Li1, Minhao Wu1, Bo O Zhou5, Brian E Fleharty3, Ariel Paulson3, Abdellah Allali-Hassani2, Jin-Q...
3MEV
Crystal structure of SGF29 in complex with R2AK4me3
Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation Chuanbing Bian1,2,8, Chao Xu2,8, Jianbin Ruan1,8, Kenneth K Lee3,8, Tara L Burke4,8, Wolfram Tempel2, Dalia Barsyte2, Jing Li1, Minhao Wu1, Bo O Zhou5, Brian E Fleharty3, Ariel Paulson3, Abdellah Allali-Hassani2, Jin-Q...
3MEW
Crystal structure of Novel Tudor domain-containing protein SGF29
Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation Chuanbing Bian1,2,8, Chao Xu2,8, Jianbin Ruan1,8, Kenneth K Lee3,8, Tara L Burke4,8, Wolfram Tempel2, Dalia Barsyte2, Jing Li1, Minhao Wu1, Bo O Zhou5, Brian E Fleharty3, Ariel Paulson3, Abdellah Allali-Hassani2, Jin-Q...
3MEX
Crystal structure of MexR in oxidized state
Structural insight into the oxidation-sensing mechanism of the antibiotic resistance of regulator MexR Hao Chen1+, Chengqi Yi2, Jin Zhang1, Wenru Zhang3, Zhiyun Ge1, Cai-Guang Yang3++ & Chuan He2+++ 1Coordination Chemistry Institute and the State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemica...
3MEY
Crystal structure of class II aaRS homologue (Bll0957) complexed with ATP
Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis Marko Mociboba, Nives Ivicb, Silvija Bilokapica, Timm Maierc, Marija Luicb, Nenad Banc, and Ivana Weygand-Durasevica,1 aDepartment of Chemistry, Faculty of Science, University of Zagre...
3MF0
Crystal structure of PDE5A GAF domain (89-518)
Conformation Changes, N-terminal Involvement, and cGMP Signal Relay in the Phosphodiesterase-5 GAF Domain*□ S Received for publication,May 5, 2010, and in revised form, September 6, 2010 Published, JBC Papers in Press,September 21, 2010, DOI 10.1074/jbc.M110.141614 Huanchen Wang‡, Howard Robinson§, and Hengming Ke‡1 Fr...
3MF1
Crystal structure of class II aaRS homologue (Bll0957) complexed with an analogue of glycyl adenylate
Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis Marko Mociboba, Nives Ivicb, Silvija Bilokapica, Timm Maierc, Marija Luicb, Nenad Banc, and Ivana Weygand-Durasevica,1 aDepartment of Chemistry, Faculty of Science, University of Zagre...
3MF2
Crystal structure of class II aaRS homologue (Bll0957) complexed with AMP
Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis Marko Mociboba, Nives Ivicb, Silvija Bilokapica, Timm Maierc, Marija Luicb, Nenad Banc, and Ivana Weygand-Durasevica,1 aDepartment of Chemistry, Faculty of Science, University of Zagre...
3MF6
Computationally designed endo-1,4-beta-xylanase
Computational design of an endo-1,4-b-xylanase ligand binding site Andrew Morin1, Kristian W.Kaufmann1, Carie Fortenberry1, Joel M.Harp 2, Laura S.Mizoue 2 and Jens Meiler 1,3 1Department of Chemistry, Vanderbilt University, Nashville, TN 37235, USA and 2Department of Biochemistry, Vanderbilt University School of Medic...
3MF7
Crystal Structure of (R)-oxirane-2-carboxylate inhibited cis-CaaD
Crystal Structures of Native and Inactivated cis-3-Chloroacrylic Acid Dehalogenase: Implications for the Catalytic and Inactivation Mechanisms† Youzhong Guoa, Hector Serranoa, William H. Johnson Jr.a, Stephen Ernstb, Marvin L. Hackertb,*, and Christian P. Whitmana,* Department of Chemistry and Biochemistry and Division...