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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7DNO
 | | Characterization of Peptide Ligands Against WDR5 Isolated Using Phage Display Technique | | Descriptor: | CYS-ARG-THR-LEU-PRO-PHE, WD repeat-containing protein 5 | | Authors: | Cao, J, Cao, D, Xiong, B, Li, Y, Fan, T. | | Deposit date: | 2020-12-10 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Phage-Display Based Discovery and Characterization of Peptide Ligands against WDR5.
Molecules, 26, 2021
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7FAI
 | | CARM1 bound with compound 9 | | Descriptor: | Histone-arginine methyltransferase CARM1, N'-[[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(oxan-4-ylamino)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 (2.09749269 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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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
 | | 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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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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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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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
 | | 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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7VLN
 | | NSD2-PWWP1 domain bound with an imidazol-5-yl benzonitrile compound | | Descriptor: | 4-[5-[4-(aminomethyl)-2,6-dimethoxy-phenyl]-3-methyl-imidazol-4-yl]benzenecarbonitrile, Histone-lysine N-methyltransferase NSD2 | | Authors: | Cao, D.Y, Li, Y.L, Li, J, Xiong, B. | | Deposit date: | 2021-10-05 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.
J.Med.Chem., 65, 2022
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7X6T
 | | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold | | Descriptor: | (2~{R})-2-[[3-methyl-6-(2-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]propanamide, Isoform C of Bromodomain-containing protein 4 | | Authors: | Cao, D, Xiong, B. | | Deposit date: | 2022-03-08 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Discovery of Selective BRD4 BD1 Inhibitor Based on [1,2,4] triazolo [4,3-b] pyridazine Scaffold
To Be Published
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