5WLI
| Crystal Structure of H-2Db with the GAP501 peptide (SQL) | Descriptor: | Beta-2-microglobulin, GAP50 peptide, H-2 class I histocompatibility antigen, ... | Authors: | Gras, S, Farenc, C, Josephs, T, Rossjohn, J. | Deposit date: | 2017-07-27 | Release date: | 2017-11-15 | Last modified: | 2019-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A T Cell Receptor Locus Harbors a Malaria-Specific Immune Response Gene. Immunity, 47, 2017
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7UUH
| The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-2 (cis-form) | Descriptor: | (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2022-04-28 | Release date: | 2022-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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5G0S
| InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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5FJD
| APO-CSP1 (COPPER STORAGE PROTEIN 1) FROM METHYLOSINUS TRICHOSPORIUM OB3B | Descriptor: | COPPER STORAGE PROTEIN 1 | Authors: | Vita, N, Platsaki, S, Basle, A, Allen, S.J, Paterson, N.G, Crombie, A.T, Murrell, J.C, Waldron, K.J, Dennison, C. | Deposit date: | 2015-10-07 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Four-Helix Bundle Stores Copper for Methane Oxidation. Nature, 525, 2015
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6NDL
| Crystal structure of Staphylococcus aureus biotin protein ligase in complex with a sulfonamide inhibitor | Descriptor: | 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea, Biotin Protein Ligase, GLYCEROL | Authors: | Marshall, A.C, Polyak, S.W, Bruning, J.B, Lee, K. | Deposit date: | 2018-12-13 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sulfonamide-Based Inhibitors of Biotin Protein Ligase as New Antibiotic Leads. Acs Chem.Biol., 14, 2019
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5G17
| Bordetella Alcaligenes HDAH (T101A) bound to 9,9,9-trifluoro-8,8- dihydroxy-N-phenylnonanamide. | Descriptor: | 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, POTASSIUM ION, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-03-23 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket. Biochim. Biophys. Acta, 1861, 2017
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5LNR
| Crystal structure of Arabidopsis thaliana Pdx1-PLP complex | Descriptor: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal 5'-phosphate synthase subunit PDX1.3 | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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5FK5
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6MNI
| Structure of the tandem CACHE domain of PscC | Descriptor: | CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ... | Authors: | Johnston, J.M, Gerth, M.L, Ehrhardt, M.K.G. | Deposit date: | 2018-10-01 | Release date: | 2019-10-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Structure of a double CACHE chemoreceptor ligand-binding domain from Pseudomonas syringae provides insights into the basis of proline recognition. Biochem.Biophys.Res.Commun., 549, 2021
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5FSD
| 1.75 A resolution 2,5-dihydroxybenzensulfonate inhibited Sporosarcina pasteurii urease | Descriptor: | 1,2-ETHANEDIOL, 2,5-dihydroxybenzenesulfonic acid, HYDROXIDE ION, ... | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | Deposit date: | 2016-01-04 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inactivation of Urease by 1,4-Benzoquinone: Chemistry at the Protein Surface. Dalton Trans, 45, 2016
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7UMA
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5FUY
| catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP | Descriptor: | PHOSPHATE ION, THYMDINE KINASE, ZINC ION, ... | Authors: | Timm, J, Valente, M, Castillo-Acosta, V, Balzarini, T, Nettleship, J.E, Rada, H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2016-01-31 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cell Cycle Regulation and Novel Structural Features of Thymidine Kinase, an Essential Enzyme in Trypanosoma Brucei. Mol.Microbiol., 102, 2016
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8DAY
| Crystal Structure of DMATS1 prenyltransferase in complex with L-Tyr and DMSPP | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, Dimethylallyltryptophan synthase 1, TYROSINE | Authors: | Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. | Deposit date: | 2022-06-14 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi . Biochemistry, 61, 2022
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5LPK
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5FNM
| Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | Descriptor: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, ZINC ION | Authors: | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | Deposit date: | 2015-11-15 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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5FYD
| Structural and biochemical insights into 7beta-hydroxysteroid dehydrogenase stereoselectivity | Descriptor: | GLYCEROL, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN | Authors: | Savino, S, Ferrandi, E, Forneris, F, Rovida, S, Riva, S, Monti, D, Mattevi, A. | Deposit date: | 2016-03-07 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Insights Into 7Beta-Hydroxysteroid Dehydrogenase Stereoselectivity. Proteins, 84, 2016
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5FJY
| Crystal structure of mouse kinesin light chain 2 (residues 161-480) | Descriptor: | KINESIN LIGHT CHAIN 2, UNKNOWN PEPTIDE | Authors: | Pernigo, S, Yip, Y.Y, Sanger, A, Xu, M, Dodding, M.P, Steiner, R.A. | Deposit date: | 2015-10-14 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | The Light Chains of Kinesin-1 are Autoinhibited. Proc.Natl.Acad.Sci.USA, 113, 2016
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5LD5
| Crystal structure of a bacterial dehydrogenase at 2.19 Angstroms resolution | Descriptor: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Querol-Garcia, J, Fernandez, F.J, Gomez, S, Fulla, D, Juanhuix, J, Vega, M.C. | Deposit date: | 2016-06-23 | Release date: | 2017-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1906 Å) | Cite: | Crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from the Gram-Positive Bacterial Pathogen A. vaginae, an Immunoevasive Factor that Interacts with the Human C5a Anaphylatoxin. Front Microbiol, 8, 2017
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5FNS
| Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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8D9C
| Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 10 | Descriptor: | 2,3,4,5,6-pentafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | Authors: | Watson, P.R, Christianson, D.W. | Deposit date: | 2022-06-09 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6. Biochemistry, 61, 2022
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5LF5
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7UOF
| Dihydroorotase from M. jannaschii | Descriptor: | Dihydroorotase, ZINC ION | Authors: | Vitali, J, Nix, J.C, Newman, H.E, Colaneri, M.J. | Deposit date: | 2022-04-12 | Release date: | 2022-08-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Methanococcus jannaschii dihydroorotase. Proteins, 91, 2023
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5M0W
| N-terminal domain of mouse Shisa 3 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lohkamp, B, Ojala, J.R.M. | Deposit date: | 2016-10-06 | Release date: | 2017-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Ab initio solution of macromolecular crystal structures without direct methods. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8DGL
| Crystal Structure of the RdfS Excisionase | Descriptor: | CHLORIDE ION, GLYCEROL, Recombination Directionality Factor RdfS | Authors: | Verdonk, C.J, Ramsay, J.P, Marshall, A.C, Bond, C.S. | Deposit date: | 2022-06-24 | Release date: | 2022-10-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystallographic and X-ray scattering study of RdfS, a recombination directionality factor from an integrative and conjugative element. Acta Crystallogr D Struct Biol, 78, 2022
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5M0Y
| Crystal Structure of the CohScaA-XDocCipB type II complex from Clostridium thermocellum at 1.5Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cellulosome anchoring protein cohesin region, ... | Authors: | Pinheiro, B.A, Bras, J.L, Carvalho, A.L, Fontes, C.M.G.A. | Deposit date: | 2016-10-06 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse specificity of cellulosome attachment to the bacterial cell surface. Sci Rep, 6, 2016
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