5FVU
 
 | | Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) pyridin-2-amine | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2016-02-10 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.224 Å) | | 主引用文献 | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
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6JLS
 | | Crystal Structure of FMN-dependent Cysteine Decarboxylases TvaF from Thioviridamide Biosynthesis | | 分子名称: | FLAVIN MONONUCLEOTIDE, Putative flavoprotein decarboxylase | | 著者 | Li, J, Lu, J, Wang, H, Zhu, J. | | 登録日 | 2019-03-06 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Characterization of the FMN-Dependent Cysteine Decarboxylase from Thioviridamide Biosynthesis.
Org.Lett., 21, 2019
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7KV3
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6EU6
 | | Sensor Amt Protein | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AMMONIUM ION, Ammonium transporter, ... | | 著者 | Pflueger, T, Hernandez, C, Andrade, S.L.A. | | 登録日 | 2017-10-28 | | 公開日 | 2018-01-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Signaling ammonium across membranes through an ammonium sensor histidine kinase.
Nat Commun, 9, 2018
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7KV4
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6JMW
 | | Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | 分子名称: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ... | | 著者 | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | 登録日 | 2019-03-13 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7PSE
 | | Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin | | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ... | | 著者 | Zhou, Q, He, Y, Jin, Y. | | 登録日 | 2021-09-23 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
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5UGT
 | | Crystal structure of M. tuberculosis InhA inhibited by PT504 | | 分子名称: | 2-(2-chloranylphenoxy)-5-[(4-cyclopropyl-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. | | 登録日 | 2017-01-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.
J. Am. Chem. Soc., 139, 2017
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6P97
 | | OXA-48 carbapanemase, imipenem complex | | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2019-06-10 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Antimicrob.Agents Chemother., 63, 2019
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8QLL
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7KWC
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7ZOC
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6P9D
 | | Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with FAD - Yellow fraction | | 分子名称: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent catabolic D-arginine dehydrogenase DauA, GLYCEROL | | 著者 | Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G. | | 登録日 | 2019-06-10 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.329 Å) | | 主引用文献 | A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity.
Biochemistry, 60, 2021
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6EUH
 | | The GH43, Beta 1,3 Galactosidase, BT3683 with galactodeoxynojirimycin | | 分子名称: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-glucanase, CALCIUM ION | | 著者 | Cartmell, A, Gilbert, H.J. | | 登録日 | 2017-10-30 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
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6BG8
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6YKQ
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11c | | 分子名称: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-04-06 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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5FSH
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6BDA
 | | Wild-type I-OnuI bound to A3G substrate (post-cleavage complex) | | 分子名称: | Cleaved Cognate DNA strand, +11 sense, Cleaved cognate DNA strand, ... | | 著者 | Brown, C, Zhang, K, Laforet, M, McMurrough, T, Gloor, G.B, Edgell, D.R, Junop, M. | | 登録日 | 2017-10-22 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Wild-type I-OnuI bound to A3G substrate (post-cleavage complex)
To Be Published
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7ZPW
 | | Crystal structure of Pizza6-TSK-TSH with Silicotungstic Acid (STA) polyoxometalate | | 分子名称: | Keggin (STA), Pizza6-TSK-TSH | | 著者 | Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D. | | 登録日 | 2022-04-29 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mutational study of a symmetry matched protein-polyoxometalate interface.
To be published
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5UHL
 | | Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with Thiamet G | | 分子名称: | (2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | | 著者 | Klein, D.J, Elsen, N.L. | | 登録日 | 2017-01-11 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | Crystal structure of the core catalytic domain of human O-GlcNAcase and molecular basis of activity and inhibition
To Be Published
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5FJE
 | | CU(I)-CSP1 (COPPER STORAGE PROTEIN 1) FROM METHYLOSINUS TRICHOSPORIUM OB3B | | 分子名称: | COPPER (I) ION, COPPER STORAGE PROTEIN 1, SODIUM ION | | 著者 | Vita, N, Platsaki, S, Basle, A, Allen, S.J, Paterson, N.G, Crombie, A.T, Murrell, J.C, Waldron, K.J, Dennison, C. | | 登録日 | 2015-10-07 | | 公開日 | 2015-11-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Four-Helix Bundle Stores Copper for Methane Oxidation.
Nature, 525, 2015
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7PSX
 | | Structure of HOXB13 bound to hydroxymethylated DNA | | 分子名称: | DNA (5'-D(P*GP*GP*AP*CP*CP*TP*5HCP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13, ... | | 著者 | Morgunova, E, Popov, A, Yin, Y, Taipale, J. | | 登録日 | 2021-09-24 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of HOXB13 bound to hydroxymethylated DNA
To Be Published
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6EUS
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7KHL
 | | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | | 著者 | Murray, J.M. | | 登録日 | 2020-10-21 | | 公開日 | 2021-02-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
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8QCH
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