6YCF
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![BU of 6ycf by Molmil](/molmil-images/mine/6ycf) | Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ... | 著者 | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | 登録日 | 2020-03-18 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
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6YPH
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6YPN
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6URC
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![BU of 6urc by Molmil](/molmil-images/mine/6urc) | Crystal structure of IRE1a in complex with compound 18 | 分子名称: | 2-chloro-N-(6-methyl-5-{[3-(2-{[(3S)-piperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}naphthalen-1-yl)benzene-1-sulfonamide, GLYCEROL, Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Wallweber, H.H, Wang, W. | 登録日 | 2019-10-23 | 公開日 | 2019-11-06 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Disruption of IRE1 alpha through its kinase domain attenuates multiple myeloma. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6V90
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6YCG
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![BU of 6ycg by Molmil](/molmil-images/mine/6ycg) | Structure the bromelain protease from Ananas comosus in complex with the TLCK inhibitor | 分子名称: | CITRIC ACID, FBSB, ISOPROPYL ALCOHOL, ... | 著者 | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | 登録日 | 2020-03-18 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
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6YHK
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![BU of 6yhk by Molmil](/molmil-images/mine/6yhk) | Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis | 分子名称: | CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION | 著者 | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | 登録日 | 2020-03-30 | 公開日 | 2020-12-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication. Embo J., 40, 2021
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6YPG
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6YPK
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6YPJ
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8AUC
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![BU of 8auc by Molmil](/molmil-images/mine/8auc) | Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form | 分子名称: | Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II) | 著者 | Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P. | 登録日 | 2022-08-25 | 公開日 | 2023-01-18 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales. Proc.Natl.Acad.Sci.USA, 119, 2022
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6Y0J
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6V1D
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![BU of 6v1d by Molmil](/molmil-images/mine/6v1d) | Crystal structure of human trefoil factor 1 | 分子名称: | Trefoil factor 1 | 著者 | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | 登録日 | 2019-11-20 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Trefoil factors share a lectin activity that defines their role in mucus. Nat Commun, 11, 2020
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6HY8
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6HOR
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6YF3
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![BU of 6yf3 by Molmil](/molmil-images/mine/6yf3) | FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution | 分子名称: | (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ... | 著者 | Kallen, J. | 登録日 | 2020-03-25 | 公開日 | 2021-03-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury. Cell Chem Biol, 28, 2021
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6Y6R
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6I0R
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![BU of 6i0r by Molmil](/molmil-images/mine/6i0r) | Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid | 分子名称: | 5-mercaptopyridine-2,3-dicarboxylic acid, FE (III) ION, HYDROSULFURIC ACID, ... | 著者 | Volbeda, A, Fontecilla-Camps, J.C. | 登録日 | 2018-10-26 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination. Chem.Commun.(Camb.), 55, 2019
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7ZWV
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![BU of 7zwv by Molmil](/molmil-images/mine/7zwv) | Crystal structure of human BCL6 BTB domain in complex with compound 17 | 分子名称: | 1,2-ETHANEDIOL, 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ... | 著者 | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | 登録日 | 2022-05-19 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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6V8K
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7ZWY
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![BU of 7zwy by Molmil](/molmil-images/mine/7zwy) | Crystal structure of human BCL6 BTB domain in complex with compound 21 | 分子名称: | 1,2-ETHANEDIOL, 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | 著者 | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | 登録日 | 2022-05-19 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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6HOQ
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6YJF
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![BU of 6yjf by Molmil](/molmil-images/mine/6yjf) | Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from PEGSmear at pH 6.5 | 分子名称: | (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one, GLYCEROL, Phosphoglycerate kinase | 著者 | Hyvonen, M, Brear, P, Blaszczyk, B.K. | 登録日 | 2020-04-03 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Phosphoglycerate Kinase as a potential target for antimalarial therapy to be published
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7ZWN
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![BU of 7zwn by Molmil](/molmil-images/mine/7zwn) | Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide | 分子名称: | 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | 著者 | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | 登録日 | 2022-05-19 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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6V3P
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