4OD2
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4YCE
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4YCT
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4YD3
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4OWB
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4OWH
| PtBr6 binding to HEWL | 分子名称: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | 著者 | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | 登録日 | 2014-02-02 | 公開日 | 2014-09-24 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.484 Å) | 主引用文献 | The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15. Acta Crystallogr.,Sect.F, 70, 2014
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6SFJ
| Crystal structure of p38 alpha in complex with compound 77 (MCP41) | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2019-08-01 | 公開日 | 2019-09-11 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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4YFR
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6SGK
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4YO4
| Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment phthalazine | 分子名称: | ACETATE ION, CHLORIDE ION, Death-associated protein kinase 1, ... | 著者 | Grum-Tokars, V.L, Roy, S.M, Minasov, G, Anderson, W.F, Watterson, D.M. | 登録日 | 2015-03-11 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of DAPK1 catalytic domain in complex with hinge binding fragments To Be Published
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6F4V
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4YOA
| Crsystal structure HIV-1 Protease MDR769 L33F Complexed with darunavir | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 Protease | 著者 | Kuiper, B.D, Keusch, B, Dewdney, T.G, Chordia, P, Brunzelle, J.S, Ross, K, Kovari, I.A, MacArthur, R, Salimnia, H, Kovari, L.C. | 登録日 | 2015-03-11 | 公開日 | 2015-07-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.697 Å) | 主引用文献 | The L33F darunavir resistance mutation acts as a molecular anchor reducing the flexibility of the HIV-1 protease 30s and 80s loops. Biochem Biophys Rep, 2, 2015
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6ETM
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5T2E
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4YIA
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6SIJ
| SAD structure of Hen Egg White Lysozyme recovered by continuous rotation data collection and multivariate analysis of Friedel pairs | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Garcia-Bonete, M.J, Katona, G. | 登録日 | 2019-08-10 | 公開日 | 2019-11-06 | 最終更新日 | 2019-11-13 | 実験手法 | X-RAY DIFFRACTION (1.61018026 Å) | 主引用文献 | Bayesian machine learning improves single-wavelength anomalous diffraction phasing. Acta Crystallogr.,Sect.A, 75, 2019
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5T4S
| Novel Approach of Fragment-Based Lead Discovery applied to Renin Inhibitors | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine, ... | 著者 | Snell, G.P, Behnke, C.A, Okada, K, Oki, H, Sang, B.C, Lane, W. | 登録日 | 2016-08-30 | 公開日 | 2016-10-26 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Novel approach of fragment-based lead discovery applied to renin inhibitors. Bioorg.Med.Chem., 24, 2016
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6R6X
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4YKM
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5SW7
| Structure of the Human Hemoglobin Mutant Hb Providence (A-Gly-C:V1M; B,D:V1M,K82D; Ferrous, carbonmonoxy bound) | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Soman, J, Olson, J.S. | 登録日 | 2016-08-08 | 公開日 | 2016-08-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Structure of the Human Hemoglobin Mutant Hb Providence (A-Gly-C:V1M; B,D:V1M,K82D; Ferrous, carbonmonoxy bound) To Be Published
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6F9M
| The LIPY/F-motif in an intracellular subtilisin protease is involved in inhibition | 分子名称: | ACETATE ION, SODIUM ION, Serine protease, ... | 著者 | Bjerga, G.E.K, Larsen, O, Arsin, H, Williamson, A.K, Garcia-Moyano, A, Leiros, I, Puntervoll, P. | 登録日 | 2017-12-14 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.298 Å) | 主引用文献 | Mutational analysis of the pro-peptide of a marine intracellular subtilisin protease supports its role in inhibition. Proteins, 86, 2018
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7R3U
| Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | 分子名称: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Snee, M, Katariya, M, Leys, D, Levy, C. | 登録日 | 2022-02-07 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7RSA
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6RAV
| Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | 分子名称: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | 登録日 | 2019-04-08 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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6F02
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