6JI5
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![BU of 6ji5 by Molmil](/molmil-images/mine/6ji5) | brd4-bd1 bound with ligand 167 | Descriptor: | (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B. | Deposit date: | 2019-02-20 | Release date: | 2020-02-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | brd4-bd1 bound with ligand 167 To Be Published
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5XR9
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![BU of 5xr9 by Molmil](/molmil-images/mine/5xr9) | Crystal structure of Human Hsp90 with FS6 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-08 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crystal structure of Human Hsp90 with FS6 To Be Published
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5XRE
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![BU of 5xre by Molmil](/molmil-images/mine/5xre) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1 | Descriptor: | Heat shock protein HSP 90-alpha, N-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-08 | Release date: | 2018-07-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.497 Å) | Cite: | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1 To Be Published
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5XQE
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![BU of 5xqe by Molmil](/molmil-images/mine/5xqe) | Crystal structure of Human Hsp90 with FS3 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Crystal structure of Human Hsp90 with FS3 To Be Published
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5XRD
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![BU of 5xrd by Molmil](/molmil-images/mine/5xrd) | |
5XQD
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![BU of 5xqd by Molmil](/molmil-images/mine/5xqd) | Crystal structure of Human Hsp90 with FS2 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of Human Hsp90 with FS2 To Be Published
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5XR5
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![BU of 5xr5 by Molmil](/molmil-images/mine/5xr5) | Crystal structure of Human Hsp90 with FS4 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of Human Hsp90 with FS4 To Be Published
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5XRB
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![BU of 5xrb by Molmil](/molmil-images/mine/5xrb) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J.H. | Deposit date: | 2017-06-08 | Release date: | 2018-07-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 To Be Published
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7FAJ
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![BU of 7faj by Molmil](/molmil-images/mine/7faj) | CARM1 bound with compound 43 | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-phenylazanyl-pyrimidin-2-yl]phenyl]methyl]-N-methyl-ethane-1,2-diamine | Authors: | Cao, D.Y, Li, J, Xiong, B. | Deposit date: | 2021-07-06 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2450726 Å) | Cite: | Structure-Based Discovery of Potent CARM1 Inhibitors for Solid Tumor and Cancer Immunology Therapy. J.Med.Chem., 64, 2021
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3Q2M
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![BU of 3q2m by Molmil](/molmil-images/mine/3q2m) | Crystal Structure of Spectinomycin Phosphotransferase, APH(9)-Ia, Protein Kinase Inhibitor CKI-7 Complex | Descriptor: | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, NICKEL (II) ION, Spectinomycin phosphotransferase | Authors: | Berghuis, A.M, Fong, D.H, Xiong, B, Hwang, J. | Deposit date: | 2010-12-20 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of two aminoglycoside kinases bound with a eukaryotic protein kinase inhibitor. Plos One, 6, 2011
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3Q2J
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![BU of 3q2j by Molmil](/molmil-images/mine/3q2j) | Crystal Structure of 3',5"-Aminoglycoside Phosphotransferase Type IIIa Protein Kinase Inhibitor CKI-7 Complex | Descriptor: | Aminoglycoside 3'-phosphotransferase, CALCIUM ION, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE | Authors: | Fong, D.H, Xiong, B, Hwang, J, Berghuis, A.M. | Deposit date: | 2010-12-20 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1501 Å) | Cite: | Crystal structures of two aminoglycoside kinases bound with a eukaryotic protein kinase inhibitor. Plos One, 6, 2011
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4R3M
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![BU of 4r3m by Molmil](/molmil-images/mine/4r3m) | Crystal structure of Human Hsp90 with JR9 | Descriptor: | Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine | Authors: | Li, J, Yang, M, Ren, J, Xiong, B, He, J. | Deposit date: | 2014-08-16 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity. Org.Biomol.Chem., 13, 2015
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4L91
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![BU of 4l91 by Molmil](/molmil-images/mine/4l91) | Crystal structure of Human Hsp90 with X29 | Descriptor: | 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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4L94
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![BU of 4l94 by Molmil](/molmil-images/mine/4l94) | Crystal structure of Human Hsp90 with S46 | Descriptor: | (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.649 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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4LWE
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![BU of 4lwe by Molmil](/molmil-images/mine/4lwe) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4LWI
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![BU of 4lwi by Molmil](/molmil-images/mine/4lwi) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4LWF
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![BU of 4lwf by Molmil](/molmil-images/mine/4lwf) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | Descriptor: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4LWG
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![BU of 4lwg by Molmil](/molmil-images/mine/4lwg) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ4 | Descriptor: | 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4LWH
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![BU of 4lwh by Molmil](/molmil-images/mine/4lwh) | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5 | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4L93
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![BU of 4l93 by Molmil](/molmil-images/mine/4l93) | Crystal structure of Human Hsp90 with S36 | Descriptor: | 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone, Heat shock protein HSP 90-alpha | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Crystal structure of Human Hsp90 with S36 To be Published
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4L8Z
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![BU of 4l8z by Molmil](/molmil-images/mine/4l8z) | Crystal structure of Human Hsp90 with RL1 | Descriptor: | Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.703 Å) | Cite: | Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization Bioorg.Med.Chem.Lett., 24, 2014
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4L90
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![BU of 4l90 by Molmil](/molmil-images/mine/4l90) | Crystal structure of Human Hsp90 with RL3 | Descriptor: | Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone | Authors: | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | Deposit date: | 2013-06-18 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structure of Human Hsp90 with RL3 to be published
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8HJE
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![BU of 8hje by Molmil](/molmil-images/mine/8hje) | Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28 | Descriptor: | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28 | Authors: | Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N. | Deposit date: | 2022-11-23 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-based discovery of potent USP28 inhibitors derived from Vismodegib. Eur.J.Med.Chem., 254, 2023
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4HXN
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![BU of 4hxn by Molmil](/molmil-images/mine/4hxn) | Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | Descriptor: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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4HXP
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![BU of 4hxp by Molmil](/molmil-images/mine/4hxp) | Brd4 Bromodomain 1 complex with 4-(2-OXO-1,3-OXAZOLIDIN-3-YL)BENZAMIDE inhibitor | Descriptor: | 4-(2-oxo-1,3-oxazolidin-3-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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