4ZFC
| Crystal structure of AKR1C3 complexed with glicazide | 分子名称: | Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zhao, Y, Zhrng, X, Hu, X. | 登録日 | 2015-04-21 | 公開日 | 2015-11-25 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis Chem.Biol.Interact., 240, 2015
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6LRB
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6J11
| MERS-CoV spike N-terminal domain and 7D10 scFv complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-terminal domain of Spike glycoprotein, ... | 著者 | Zhou, H, Zhang, S, Zhang, S, Tang, W, Wang, X. | 登録日 | 2018-12-27 | 公開日 | 2019-07-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural definition of a neutralization epitope on the N-terminal domain of MERS-CoV spike glycoprotein. Nat Commun, 10, 2019
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6LNL
| ASFV core shell protein p15 | 分子名称: | 60 kDa polyprotein | 著者 | Guo, F, Shi, Y, Peng, G. | 登録日 | 2019-12-30 | 公開日 | 2020-12-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9286 Å) | 主引用文献 | The structural basis of African swine fever virus core shell protein p15 binding to DNA. Faseb J., 35, 2021
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5UYU
| Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12 | 分子名称: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Whittington, D.A, Long, A.M, Sickmier, E.A. | 登録日 | 2017-02-24 | 公開日 | 2017-05-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D. Medchemcomm, 8, 2017
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3IF4
| Structure from the mobile metagenome of North West Arm Sewage Outfall: Integron Cassette Protein Hfx_Cass5 | 分子名称: | Integron Cassette Protein Hfx_Cass5 | 著者 | Sureshan, V, Deshpande, C.N, Harrop, S.J, Evdokimova, E, Kudrytska, M, Koenig, J.E, Osipiuk, J, Edwards, A, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2009-07-24 | 公開日 | 2009-09-08 | 最終更新日 | 2013-02-06 | 実験手法 | X-RAY DIFFRACTION (2.181 Å) | 主引用文献 | Integron gene cassettes: a repository of novel protein folds with distinct interaction sites. Plos One, 8, 2013
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6FZB
| AadA in complex with ATP, magnesium and streptomycin | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kanchugal P, S, Selmer, M. | 登録日 | 2018-03-14 | 公開日 | 2018-06-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica. J. Biol. Chem., 293, 2018
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4X2A
| Crystal structure of mouse glyoxalase I complexed with baicalein | 分子名称: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION | 著者 | Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X. | 登録日 | 2014-11-26 | 公開日 | 2015-09-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis. Curr Top Med Chem, 16, 2016
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6GJ5
| CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 15 | 分子名称: | (3~{S})-3-[2-[(2~{R})-pyrrolidin-2-yl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ... | 著者 | Kessler, D, Mcconnell, D.M, Mantoulidis, A. | 登録日 | 2018-05-16 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Drugging an undruggable pocket on KRAS. Proc.Natl.Acad.Sci.USA, 116, 2019
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4OBW
| crystal structure of yeast Coq5 in the SAM bound form | 分子名称: | 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, S-ADENOSYLMETHIONINE, ... | 著者 | Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z. | 登録日 | 2014-01-07 | 公開日 | 2014-08-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway. Acta Crystallogr.,Sect.D, 70, 2014
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2GBS
| NMR structure of Rpa0253 from Rhodopseudomonas palustris. Northeast structural genomics consortium target RpR3 | 分子名称: | Hypothetical protein Rpa0253 | 著者 | Ramelot, T.A, Cort, J.R, Conover, K, Chen, Y, Ma, L.C, Ciano, M, Xiao, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-03-11 | 公開日 | 2006-04-11 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural genomics reveals EVE as a new ASCH/PUA-related domain. Proteins, 75, 2009
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2OBS
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2OBR
| Crystal Structures of P Domain of Norovirus VA387 | 分子名称: | Capsid protein | 著者 | Cao, S, Lou, Z, Jiang, X, Zhang, X.C, Li, X, Rao, Z. | 登録日 | 2006-12-20 | 公開日 | 2007-04-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for the recognition of blood group trisaccharides by norovirus. J.Virol., 81, 2007
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2OBT
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5AGM
| Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid | 分子名称: | (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2015-02-02 | 公開日 | 2015-04-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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8TBQ
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7WDW
| DsyB in complex with SAH and MTHB | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methylsulfanyl-2-oxidanyl-butanoic acid, DSYB, ... | 著者 | Li, C.Y. | 登録日 | 2021-12-22 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Mechanistic insights into the key marine dimethylsulfoniopropionate synthesis enzyme DsyB/DSYB. Mlife, 2022
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8TAB
| RTA-PD00589 | 分子名称: | 1,2-ETHANEDIOL, 4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, ... | 著者 | Rudolph, M.J, Tumer, N. | 登録日 | 2023-06-27 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg.Med.Chem., 100, 2024
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8T9V
| RTA-RUNT-59 complex structure | 分子名称: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, NONAETHYLENE GLYCOL, Ricin | 著者 | Rudolph, M.J, Tumer, N. | 登録日 | 2023-06-26 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.945 Å) | 主引用文献 | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg.Med.Chem., 100, 2024
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8TAD
| RTA in complex with inhibitor RUNT-206 | 分子名称: | (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid, CHLORIDE ION, NONAETHYLENE GLYCOL, ... | 著者 | Rudolph, M.J, Tumer, N. | 登録日 | 2023-06-27 | 公開日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg.Med.Chem., 100, 2024
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5C8K
| EGFR kinase domain mutant "TMLR" with compound 1 | 分子名称: | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-25 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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6A7A
| AKR1C1 complexed with new inhibitor with novel scaffold | 分子名称: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | 登録日 | 2018-07-02 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors. Bioorg.Med.Chem., 26, 2018
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5CAP
| EGFR kinase domain mutant "TMLR" with compound 30 | 分子名称: | 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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7CNU
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7CUV
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