8DG1
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8D11
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8CXE
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8D10
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8DG2
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![BU of 8dg2 by Molmil](/molmil-images/mine/8dg2) | Crystal Structure of EcDsbA in a complex with DMSO | 分子名称: | COPPER (II) ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. | 登録日 | 2022-06-23 | 公開日 | 2022-12-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem, 14, 2023
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6VUJ
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![BU of 6vuj by Molmil](/molmil-images/mine/6vuj) | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 15c (N,N-diethyl-3',4'-dimethoxy-6-(1-methyl-5-oxopyrrolidin-3-yl)-[1,1'-biphenyl]-3-sulfonamide) | 分子名称: | Bromodomain-containing protein 4, N,N-diethyl-3',4'-dimethoxy-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl][1,1'-biphenyl]-3-sulfonamide, NITRATE ION | 著者 | Ilyichova, O.V, Scanlon, M.J, Thompson, P.E. | 登録日 | 2020-02-15 | 公開日 | 2020-02-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors. Eur.J.Med.Chem., 191, 2020
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6VUC
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6VUB
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6VUF
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4KGA
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![BU of 4kga by Molmil](/molmil-images/mine/4kga) | Crystal structure of kallikrein-related peptidase 4 | 分子名称: | 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION | 著者 | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | 登録日 | 2013-04-29 | 公開日 | 2014-04-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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4K8Y
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![BU of 4k8y by Molmil](/molmil-images/mine/4k8y) | Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1) | 分子名称: | Kallikrein-4, Trypsin inhibitor 1 | 著者 | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | 登録日 | 2013-04-19 | 公開日 | 2014-04-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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4KEL
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![BU of 4kel by Molmil](/molmil-images/mine/4kel) | Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR(N) | 分子名称: | Kallikrein-4, Trypsin inhibitor 1 | 著者 | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | 登録日 | 2013-04-25 | 公開日 | 2014-04-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.148 Å) | 主引用文献 | KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors. Biochemistry, 58, 2019
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4K1E
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![BU of 4k1e by Molmil](/molmil-images/mine/4k1e) | Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein-4, LITHIUM ION, ... | 著者 | Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M. | 登録日 | 2013-04-04 | 公開日 | 2014-04-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep, 6, 2016
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6PRT
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6PS9
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![BU of 6ps9 by Molmil](/molmil-images/mine/6ps9) | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 17 (5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | 分子名称: | 5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | 著者 | Ilyichova, O.V, Scanlon, M.J. | 登録日 | 2019-07-12 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition. Bioorg.Med.Chem., 27, 2019
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6PSB
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![BU of 6psb by Molmil](/molmil-images/mine/6psb) | Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 18 (5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one) | 分子名称: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one, Bromodomain-containing protein 4 | 著者 | Ilyichova, O.V, Scanlon, M.J. | 登録日 | 2019-07-12 | 公開日 | 2019-11-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition. Bioorg.Med.Chem., 27, 2019
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6O21
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![BU of 6o21 by Molmil](/molmil-images/mine/6o21) | Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein 4 (Prostase, enamel matrix, ... | 著者 | Ilyichova, O.V, Buckle, A.M. | 登録日 | 2019-02-22 | 公開日 | 2019-03-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors. Biochemistry, 58, 2019
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4ZIJ
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![BU of 4zij by Molmil](/molmil-images/mine/4zij) | Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid | 分子名称: | 1,2-ETHANEDIOL, 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid, Thiol:disulfide interchange protein DsbA | 著者 | Vazirani, M, Ilyichova, O.V, Scanlon, M.J. | 登録日 | 2015-04-28 | 公開日 | 2016-05-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data. J.Biomol.Nmr, 66, 2016
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6PVZ
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6PVY
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6BQX
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![BU of 6bqx by Molmil](/molmil-images/mine/6bqx) | Crystal structure of Escherichia coli DsbA in complex with N-methyl-1-(4-phenoxyphenyl)methanamine | 分子名称: | N-methyl-1-(4-phenoxyphenyl)methanamine, Thiol:disulfide interchange protein DsbA | 著者 | Heras, B, Totsika, M, Paxman, J.J, Wang, G, Scanlon, M.J. | 登録日 | 2017-11-29 | 公開日 | 2017-12-27 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | 主引用文献 | Inhibition of Diverse DsbA Enzymes in Multi-DsbA Encoding Pathogens. Antioxid. Redox Signal., 29, 2018
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6WHD
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6XSP
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6XSQ
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6XT3
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