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8ZM8
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BU of 8zm8 by Molmil
Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13221
Descriptor: 2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, BRD4_HUMAN
Authors:Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2024-05-22
Release date:2024-12-11
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
8ZMB
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BU of 8zmb by Molmil
Crystal Structure of the first bromodomain of human BRD4 BD1 in complex with the inhibitor Y13195
Descriptor: 7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one, BRD4_HUMAN, DIMETHYL SULFOXIDE, ...
Authors:Li, J, Hu, Q, Xu, H, Zhao, X, Zhang, C, Zhu, R, Wu, X, Zhang, Y, Xu, Y.
Deposit date:2024-05-22
Release date:2024-12-11
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of the First BRD4 Second Bromodomain (BD2)-Selective Inhibitors.
J.Med.Chem., 67, 2024
4JOC
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BU of 4joc by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with Malonate
Descriptor: Lysophosphatidic acid phosphatase type 6, MALONIC ACID
Authors:Li, J.
Deposit date:2013-03-18
Release date:2013-07-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6
Protein Cell, 4, 2013
4JOB
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BU of 4job by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with L-(+)-tartrate
Descriptor: L(+)-TARTARIC ACID, Lysophosphatidic acid phosphatase type 6
Authors:Li, J.
Deposit date:2013-03-18
Release date:2013-07-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6
Protein Cell, 4, 2013
7C2Z
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BU of 7c2z by Molmil
Bromodomain-containing 4 BD1 in complex with 3',4',7,8-Tetrahydroxyflavone
Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Li, J, Zhu, J.
Deposit date:2020-05-10
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor.
J Enzyme Inhib Med Chem, 36, 2021
7C6P
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BU of 7c6p by Molmil
Bromodomain-containing 4 BD2 in complex with 3',4',7,8- Tetrahydroxyflavonoid
Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4
Authors:Li, J, Yu, K, Luo, Y, Zheng, W, Liang, W, Zhu, J.
Deposit date:2020-05-22
Release date:2021-05-12
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor.
J Enzyme Inhib Med Chem, 36, 2021
8Z8W
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BU of 8z8w by Molmil
Crystal Structure of EphA6/Caskin1 complex
Descriptor: Caskin-1,Ephrin type-A receptor 6
Authors:Li, J, Liu, W.
Deposit date:2024-04-22
Release date:2025-04-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structure of EphA6/Caskin1 complex
To Be Published
5YIS
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BU of 5yis by Molmil
Crystal Structure of AnkB LIR/LC3B complex
Descriptor: Ankyrin-2, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3B, ...
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIR
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BU of 5yir by Molmil
Crystal Structure of AnkB LIR/GABARAP complex
Descriptor: Ankyrin-2, Gamma-aminobutyric acid receptor-associated protein, NICKEL (II) ION
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIQ
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BU of 5yiq by Molmil
Crystal structure of AnkG LIR/LC3B complex
Descriptor: Ankyrin-3, Microtubule-associated proteins 1A/1B light chain 3B, ZINC ION
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
5YIP
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BU of 5yip by Molmil
Crystal Structure of AnkG LIR/GABARAPL1 complex
Descriptor: Ankyrin-3, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1
Authors:Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M.
Deposit date:2017-10-06
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins.
Nat. Chem. Biol., 14, 2018
7CUQ
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BU of 7cuq by Molmil
2.55-Angstrom Cryo-EM structure of Cytochrome bo3 from Escherichia coli in Native Membrane
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
Deposit date:2020-08-24
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CUB
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BU of 7cub by Molmil
2.55-Angstrom Cryo-EM structure of Cytochrome bo3 from Escherichia coli in Native Membrane
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
Deposit date:2020-08-22
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CUW
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BU of 7cuw by Molmil
Ubiquinol Binding Site of Cytochrome bo3 from Escherichia coli
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Li, J, Han, L, Gennis, R.B, Zhu, J.P, Zhang, K.
Deposit date:2020-08-25
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Cryo-EM structures of Escherichia coli cytochrome bo3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
8YCM
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BU of 8ycm by Molmil
Monomeric Human STK19
Descriptor: Isoform 4 of Inactive serine/threonine-protein kinase 19, SULFATE ION
Authors:Li, J, Ma, X, Dong, Z.
Deposit date:2024-02-18
Release date:2024-03-06
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Mutations found in cancer patients compromise DNA binding of the winged helix protein STK19.
Sci Rep, 14, 2024
7U20
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BU of 7u20 by Molmil
Crystal structure of human METTL1 and WDR4 complex
Descriptor: SULFATE ION, tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4
Authors:Li, J, Nowak, R.P, Fischer, E.S, Gregory, R.
Deposit date:2022-02-22
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
7WI7
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BU of 7wi7 by Molmil
Crystal structure of human MCM8/9 complex
Descriptor: DNA helicase MCM8, DNA helicase MCM9, ZINC ION
Authors:Li, J, Liu, Y.
Deposit date:2022-01-03
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (6.6 Å)
Cite:Crystal structure of human MCM8/9 complex
To Be Published
7XCL
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BU of 7xcl by Molmil
Crystal structure of trimethylamine methyltransferase MttB from Methanosarcina barkeri at 2.5 A resolution
Descriptor: GLYCEROL, SODIUM ION, Trimethylamine methyltransferase
Authors:Li, J, Chan, M.K.
Deposit date:2022-03-24
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
7XCM
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BU of 7xcm by Molmil
Crystal structure of sulfite MttB structure at 3.2 A resolution
Descriptor: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, SODIUM ION, ...
Authors:Li, J, Chan, M.K.
Deposit date:2022-03-24
Release date:2023-01-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
7XCN
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BU of 7xcn by Molmil
Crystal structure of the MttB-MttC complex at 2.7 A resolution
Descriptor: 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, GLYCEROL, Trimethylamine methyltransferase, ...
Authors:Li, J, Chan, M.K.
Deposit date:2022-03-24
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into pyrrolysine function from structures of a trimethylamine methyltransferase and its corrinoid protein complex.
Commun Biol, 6, 2023
7BV3
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BU of 7bv3 by Molmil
Crystal structure of a ugt transferase from Siraitia grosvenorii in complex with UDP
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Li, J, Shan, N, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2020-04-09
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Near-perfect control of the regioselective glucosylation enabled by rational design of glycosyltransferases
Green Synth Catal, 2021
7DPD
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BU of 7dpd by Molmil
Human MCM9 N-terminal domain
Descriptor: DNA helicase MCM9, SODIUM ION, ZINC ION
Authors:Li, J, Liu, L, Liu, Y.
Deposit date:2020-12-18
Release date:2021-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
7DP3
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BU of 7dp3 by Molmil
Human MCM8 N-terminal domain
Descriptor: DNA helicase MCM8, ZINC ION
Authors:Li, J, Liu, L, Liu, Y.
Deposit date:2020-12-17
Release date:2021-05-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural study of the N-terminal domain of human MCM8/9 complex.
Structure, 29, 2021
7E29
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BU of 7e29 by Molmil
Crystal Structure of Saccharomyces cerevisiae Ioc4 PWWP domain fused with MBP
Descriptor: Maltose/maltodextrin-binding periplasmic protein,ISWI one complex protein 4, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Li, J, Smolle, M, Liang, H, Liu, Y.
Deposit date:2021-02-05
Release date:2022-02-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:H3K36 methylation and DNA-binding both promote Ioc4 recruitment and Isw1b remodeler function.
Nucleic Acids Res., 50, 2022
4L94
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BU of 4l94 by Molmil
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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