4HFC
 
 | | The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to 2-bromo-ethanol | | Descriptor: | 2-BROMOETHANOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
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5TIZ
 | | Schistosoma japonicum (Blood Fluke) Sulfotransferase | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase | | Authors: | Taylor, A.B, Hart, P.J. | | Deposit date: | 2016-10-03 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
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5T5G
 | | human SETD8 in complex with MS2177 | | Descriptor: | 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | | Authors: | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-08-30 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
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5TDP
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4K7T
 | | Structure of the ternary complex of bacitracin, zinc, and geranyl-pyrophosphate | | Descriptor: | GERANYL DIPHOSPHATE, SODIUM ION, ZINC ION, ... | | Authors: | Economou, N.J, Loll, P.J. | | Deposit date: | 2013-04-17 | | Release date: | 2013-08-14 | | Last modified: | 2013-10-16 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-resolution crystal structure reveals molecular details of target recognition by bacitracin.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3CD4
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4IT2
 | | Mn(III)-PPIX bound Tt H-NOX | | Descriptor: | MANGANESE PROTOPORPHYRIN IX, Methyl-accepting chemotaxis protein | | Authors: | Winter, M.B, Klemm, P.J, Phillips-Piro, C.M, Raymond, K.M, Marletta, M.A. | | Deposit date: | 2013-01-17 | | Release date: | 2013-02-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.097 Å) | | Cite: | Porphyrin-Substituted H-NOX Proteins as High-Relaxivity MRI Contrast Agents.
Inorg.Chem., 52, 2013
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5VM2
 | | Crystal structure of ECK1772, an oxidoreductase/dehydrogenase of unknown specificity involved in membrane biogenesis from Escherichia coli | | Descriptor: | Alcohol dehydrogenase, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Stogios, P.J, Skarina, T, McChesney, C, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-04-26 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Crystal structure of ECK1772, an oxidoreductase/dehydrogenase of unknown specificity involved in membrane biogenesis from Escherichia coli
To Be Published
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4IV9
 | | Structure of the Flavoprotein Tryptophan-2-Monooxygenase | | Descriptor: | 1,2-ETHANEDIOL, 2-(1H-INDOL-3-YL)ACETAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Gaweska, H.M, Taylor, A.B, Hart, P.J, Fitzpatrick, P.F. | | Deposit date: | 2013-01-22 | | Release date: | 2013-04-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Structure of the flavoprotein tryptophan 2-monooxygenase, a key enzyme in the formation of galls in plants.
Biochemistry, 52, 2013
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4IW7
 | | Crystal structure of 8-amino-7-oxononanoate synthase (bioF) from Francisella tularensis. | | Descriptor: | 8-amino-7-oxononanoate synthase | | Authors: | Newcomb, W, Niedzialkowska, E, Porebski, P.J, Grimshaw, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-23 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of 8-amino-7-oxononanoate synthase (bioF) from Francisella tularensis.
To be Published
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4HSN
 | | Crystal structure of DAH7PS from Neisseria meningitidis | | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | | Authors: | Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J. | | Deposit date: | 2012-10-30 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine.
Protein Sci., 22, 2013
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4HUS
 | | Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with virginiamycin M1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stogios, P.J, Minasov, G, Evdokimova, E, Wawrzak, Z, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-11-03 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
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3D2U
 | | Structure of UL18, a Peptide-Binding Viral MHC Mimic, Bound to a Host Inhibitory Receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Actin, Beta-2-microglobulin, ... | | Authors: | Yang, Z, Bjorkman, P.J. | | Deposit date: | 2008-05-08 | | Release date: | 2008-07-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of UL18, a peptide-binding viral MHC mimic, bound to a host inhibitory receptor
Proc.Natl.Acad.Sci.Usa, 105, 2008
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4I5C
 | | The Jak1 kinase domain in complex with inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile, Tyrosine-protein kinase JAK1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2012-11-28 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1.
Bioorg.Med.Chem.Lett., 23, 2013
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4KTH
 | | Structure of A/Hubei/1/2010 H5 HA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Shore, D.A, Yang, H, Carney, P.J, Chang, J.C, Stevens, J. | | Deposit date: | 2013-05-20 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Antigenic Variation among Diverse Clade 2 H5N1 Viruses.
Plos One, 8, 2013
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4K39
 | | Native anSMEcpe with bound AdoMet and Cp18Cys peptide | | Descriptor: | Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, Cp18Cys peptide, ... | | Authors: | Goldman, P.J, Drennan, C.L. | | Deposit date: | 2013-04-10 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4K6Z
 | | The Jak1 kinase domain in complex with compound 37 | | Descriptor: | (1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile, Tyrosine-protein kinase JAK1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2013-04-16 | | Release date: | 2013-10-02 | | Last modified: | 2013-10-23 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4KEX
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4I3F
 | | Crystal structure of serine hydrolase CCSP0084 from the polyaromatic hydrocarbon (PAH)-degrading bacterium Cycloclasticus zankles | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | | Authors: | Stogios, P.J, Xu, X, Dong, A, Cui, H, Alcaide, M, Tornes, J, Gertler, C, Yakimov, M.M, Golyshin, P.N, Ferrer, M, Savchenko, A. | | Deposit date: | 2012-11-26 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Single residues dictate the co-evolution of dual esterases: MCP hydrolases from the alpha / beta hydrolase family.
Biochem.J., 454, 2013
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4IA9
 | | Crystal structure of human WD REPEAT DOMAIN 5 in complex with 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ... | | Authors: | Dong, A, Dombrovski, L, Bolshan, Y, Getlik, M, Tempel, W, Kuznetsova, E, Wasney, G.A, Hajian, T, Poda, G, Nguyen, K.T, Schapira, M, Brown, P.J, Al-awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Smil, D, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-06 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.
ACS Med Chem Lett, 4, 2013
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4I4W
 | | Peptide length determines the outcome of T cell receptor/peptide-MHCI engagement | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Rizkallah, P.J, Wooldridge, L, Cole, D.K. | | Deposit date: | 2012-11-28 | | Release date: | 2013-01-02 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Peptide length determines the outcome of TCR/peptide-MHCI engagement.
Blood, 121, 2013
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4HUR
 | | Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with acetyl coenzyme A | | Descriptor: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, CHLORIDE ION, ... | | Authors: | Stogios, P.J, Minasov, G, Evdokimova, E, Wawrzak, Z, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-11-03 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
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4KM5
 | | X-ray crystal structure of human cyclic GMP-AMP synthase (cGAS) | | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Kranzusch, P.J, Lee, A.S.Y, Berger, J.M, Doudna, J.A. | | Deposit date: | 2013-05-08 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | Structure of Human cGAS Reveals a Conserved Family of Second-Messenger Enzymes in Innate Immunity.
Cell Rep, 3, 2013
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4KW1
 | | Structure of a/egypt/n03072/2010 h5 ha | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Shore, D.A, Yang, H, Carney, P.J, Chang, J.C, Stevens, J. | | Deposit date: | 2013-05-23 | | Release date: | 2014-06-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and antigenic variation among diverse clade 2 H5N1 viruses.
Plos One, 8, 2013
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4KWM
 | | Structure of a/anhui/5/2005 h5 ha | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | | Authors: | Yang, H, Shore, D.A, Carney, P.J, Chang, J.C, Stevens, J. | | Deposit date: | 2013-05-24 | | Release date: | 2014-06-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and antigenic variation among diverse clade 2 H5N1 viruses.
Plos One, 8, 2013
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