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PDB: 10 results
8Z30
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BU of 8z30 by Molmil
Crystal structure of HOIP PUB domain in complex with tolfenamic acid complex
Descriptor: 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Zhong, F, Ruan, K.
Deposit date:2024-04-14
Release date:2024-11-27
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Repurposing Tolfenamic Acid to Anchor the Uncharacterized Pocket of the PUB Domain for Proteolysis of the Atypical E3 Ligase HOIP.
Acs Chem.Biol., 19, 2024
8Z36
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BU of 8z36 by Molmil
Crystal structure of HOIP PUB domain in complex with sertraline complex
Descriptor: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, E3 ubiquitin-protein ligase RNF31
Authors:Zhong, F, Ruan, K.
Deposit date:2024-04-14
Release date:2024-11-27
Last modified:2025-01-01
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Repurposing Tolfenamic Acid to Anchor the Uncharacterized Pocket of the PUB Domain for Proteolysis of the Atypical E3 Ligase HOIP.
Acs Chem.Biol., 19, 2024
8Z6O
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BU of 8z6o by Molmil
Crystal structure of HDGFRP2 PWWP domain in complex with Varenicline
Descriptor: DIMETHYL SULFOXIDE, Hepatoma-derived growth factor-related protein 2, VARENICLINE
Authors:Wei, X, Ruan, K.
Deposit date:2024-04-19
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Fragment based discovery of small molecule inhibitors of the HDGFRP2 PWWP domain
To Be Published
8Z6C
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BU of 8z6c by Molmil
Crystal structure of HDGFRP2 PWWP domain in complex with 4-(4-bromo-1H-pyrazol-3-yl) pyridine
Descriptor: 4-(4-bromanyl-1~{H}-pyrazol-3-yl)pyridine, Hepatoma-derived growth factor-related protein 2, SULFATE ION
Authors:Wei, X, Ruan, K.
Deposit date:2024-04-19
Release date:2025-04-23
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment based discovery of small molecule inhibitors of the HDGFRP2 PWWP domain
To Be Published
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
Descriptor: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
Authors:Liu, J, Ruan, K.
Deposit date:2017-10-09
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
Descriptor: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-30
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-29
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7XC4
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BU of 7xc4 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin
Descriptor: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3
Authors:Li, J, Liu, Y, Gao, J, Ruan, K.
Deposit date:2022-03-22
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
5JI8
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BU of 5ji8 by Molmil
Crystal structure of the BRD9 bromodomain and hit 1
Descriptor: 2-amino-1,3-benzothiazole-6-carboxamide, Bromodomain-containing protein 9
Authors:Wang, N, Li, F, Bao, H, Li, J, Wu, J, Ruan, K.
Deposit date:2016-04-22
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains
Chembiochem, 17, 2016
8H43
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BU of 8h43 by Molmil
Crystal structure of PHF1 Tudor domain in complex with hit 1
Descriptor: 2-[(3S)-piperidin-3-yl]-1,3-benzoxazole, PHD finger protein 1
Authors:Liu, Y, Ruan, K.
Deposit date:2022-10-10
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of PHF1 Tudor domain in complex with hit 1
To be published

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PDB entries from 2025-06-11

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