6DCC
 
 | | Structure of methylphosphate capping enzyme methyltransferase domain in complex with 5' end of 7SK RNA | | Descriptor: | 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Yang, Y, Eichhorn, C, Cascio, D, Feigon, J. | | Deposit date: | 2018-05-04 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of 7SK RNA 5'-gamma-phosphate methylation and retention by MePCE.
Nat. Chem. Biol., 15, 2019
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6DQ6
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6DQF
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6DSZ
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6DMJ
 | | A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | | Descriptor: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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6DAS
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6DQA
 | | Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2018-06-10 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.888 Å) | | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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6DW4
 | | SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket | | Descriptor: | 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DAK
 | | Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design | | Descriptor: | DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5 | | Authors: | Phan, J, Fesik, S.W. | | Deposit date: | 2018-05-01 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
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6DQC
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6DQ7
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6DEC
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7QBW
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7QDL
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567 | | Descriptor: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2021-11-27 | | Release date: | 2022-12-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate.
J.Med.Chem., 65, 2022
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7QNZ
 | | human Lig1-DNA-PCNA complex reconstituted in absence of ATP | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase 1, Oligo13P, ... | | Authors: | Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A. | | Deposit date: | 2021-12-23 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (4.58 Å) | | Cite: | Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing.
Nat Commun, 13, 2022
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7QXX
 | | Proteasome-ZFAND5 Complex Z+E state | | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
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7QXN
 | | Proteasome-ZFAND5 Complex Z+A state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
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7QXP
 | | Proteasome-ZFAND5 Complex Z+B state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
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7QYB
 | | Proteasome-ZFAND5 Complex Z-C state | | Descriptor: | 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
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7QXU
 | | Proteasome-ZFAND5 Complex Z+C state | | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
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7QXW
 | | Proteasome-ZFAND5 Complex Z+D state | | Descriptor: | 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B, 26S protease regulatory subunit 7, ... | | Authors: | Zhu, Y, Lu, Y. | | Deposit date: | 2022-01-27 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mechanism of 26S proteasome activation by the 19S-interacting protein ZFAND5
To Be Published
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7QTT
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7REM
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7REL
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7REK
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