5VET
| PHOSPHOLIPASE A2, RE-REFINEMENT OF THE PDB STRUCTURE 1JQ8 WITHOUT THE PUTATIVE COMPLEXED OLIGOPEPTIDE | 分子名称: | Phospholipase A2 VRV-PL-VIIIa | 著者 | Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | 登録日 | 2017-04-05 | 公開日 | 2018-06-20 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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6ZGW
| Structure of human galactokinase 1 bound with (4-chlorophenyl)methyl pyridine-3-carboxylate | 分子名称: | (4-chlorophenyl)methyl pyridine-3-carboxylate, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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7L3J
| T4 Lysozyme L99A - benzylacetate - RT | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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3CI3
| Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with partial adenosylcobalamin and PPPi | 分子名称: | 5'-DEOXYADENOSINE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ... | 著者 | Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I. | 登録日 | 2008-03-10 | 公開日 | 2008-05-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate. Biochemistry, 47, 2008
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7L3A
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5VJ7
| Ferredoxin NADP Oxidoreductase (Xfn) | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP(+) reductase subunit alpha, ... | 著者 | Zadvornyy, O.A, Nguyen, D.M.N, Schut, G.J, Lipscomb, G.L, Tokmina-Lukaszewska, M, Adams, M.W.W, Peters, J.W. | 登録日 | 2017-04-18 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Two functionally distinct NADP(+)-dependent ferredoxin oxidoreductases maintain the primary redox balance of Pyrococcus furiosus. J. Biol. Chem., 292, 2017
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7L39
| T4 Lysozyme L99A - toluene - RT | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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6QK7
| Elongator catalytic subcomplex Elp123 lobe | 分子名称: | 5'-DEOXYADENOSINE, Elongator complex protein 1, Elongator complex protein 2, ... | 著者 | Dauden, M.I, Jaciuk, M, Glatt, S. | 登録日 | 2019-01-28 | 公開日 | 2019-07-17 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Molecular basis of tRNA recognition by the Elongator complex. Sci Adv, 5, 2019
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7L38
| T4 Lysozyme L99A - Apo - cryo | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3B
| T4 Lysozyme L99A - iodobenzene - RT | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L37
| T4 Lysozyme L99A - Apo - RT | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.439 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7L3G
| T4 Lysozyme L99A - 4-iodotoluene - cryo | 分子名称: | 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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6C62
| An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. | 分子名称: | AtzG, Biuret hydrolase, MAGNESIUM ION | 著者 | Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C. | 登録日 | 2018-01-17 | 公開日 | 2018-03-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme. J. Biol. Chem., 293, 2018
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5VHG
| Crystal structure of pentad mutant GAPR-1 | 分子名称: | Golgi-associated plant pathogenesis-related protein 1, SULFATE ION | 著者 | Li, Y, Zhao, Y, Su, M, Chakravarthy, S, Colbert, C.L, Levine, B, Sinha, S.C. | 登録日 | 2017-04-13 | 公開日 | 2017-09-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Structural insights into the interaction of the conserved mammalian proteins GAPR-1 and Beclin 1, a key autophagy protein. Acta Crystallogr D Struct Biol, 73, 2017
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7L3F
| T4 Lysozyme L99A - 4-iodotoluene - RT | 分子名称: | 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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6C6G
| An unexpected vestigial protein complex reveals the evolutionary origins of an s-triazine catabolic enzyme. Inhibitor bound complex. | 分子名称: | AtzG, Biuret hydrolase, CALCIUM ION | 著者 | Peat, T.S, Esquirol, L, Wilding, M, Liu, J.W, French, N.G, Hartley, C.J, Hideki, O, Easton, C.J, Newman, J, Scott, C. | 登録日 | 2018-01-18 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme. J. Biol. Chem., 293, 2018
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5LVE
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6QK1
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7L3H
| T4 Lysozyme L99A - ethylbenzene - RT | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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1HX0
| Structure of pig pancreatic alpha-amylase complexed with the "truncate" acarbose molecule (pseudotrisaccharide) | 分子名称: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ALPHA AMYLASE (PPA), ... | 著者 | Qian, M, Payan, F. | 登録日 | 2001-01-11 | 公開日 | 2001-08-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Enzyme-catalyzed condensation reaction in a mammalian alpha-amylase. High-resolution structural analysis of an enzyme-inhibitor complex Biochemistry, 40, 2001
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6QHG
| Structure of the cap-binding domain of Rift Valley Fever virus L protein | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | 著者 | Gogrefe, N, Reindl, S, Gunther, S, Rosenthal, M. | 登録日 | 2019-01-16 | 公開日 | 2019-05-22 | 最終更新日 | 2019-06-05 | 実験手法 | X-RAY DIFFRACTION (1.483 Å) | 主引用文献 | Structure of a functional cap-binding domain in Rift Valley fever virus L protein. Plos Pathog., 15, 2019
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2O2N
| Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | 分子名称: | 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | 著者 | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | 登録日 | 2006-11-30 | 公開日 | 2007-02-27 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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6QHL
| 14-3-3 sigma with RelA/p65 binding site pS45 | 分子名称: | 14-3-3 protein sigma, GLYCEROL, Transcription factor p65 | 著者 | Wolter, M, Ottmann, C. | 登録日 | 2019-01-16 | 公開日 | 2020-05-13 | 最終更新日 | 2020-12-30 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products. J.Am.Chem.Soc., 142, 2020
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7L3E
| T4 Lysozyme L99A - 3-iodotoluene - cryo | 分子名称: | 1-iodo-3-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... | 著者 | Fischer, M, Bradford, S.Y.C. | 登録日 | 2020-12-17 | 公開日 | 2021-10-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Temperature artifacts in protein structures bias ligand-binding predictions. Chem Sci, 12, 2021
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7NXJ
| Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | 分子名称: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | 著者 | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | 登録日 | 2021-03-18 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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