8IBQ
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![BU of 8ibq by Molmil](/molmil-images/mine/8ibq) | Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-02-10 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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8IDH
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![BU of 8idh by Molmil](/molmil-images/mine/8idh) | Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-02-13 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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7FAR
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![BU of 7far by Molmil](/molmil-images/mine/7far) | Crystal structure of PDE5A in complex with inhibitor L12 | Descriptor: | 5-[bis(fluoranyl)methoxy]-2-[(4-chlorophenyl)methyl]-10-(3-methoxypropyl)-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.40006471 Å) | Cite: | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
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7FAQ
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![BU of 7faq by Molmil](/molmil-images/mine/7faq) | Crystal structure of PDE5A in complex with inhibitor L1 | Descriptor: | 2-[(4-chlorophenyl)methyl]-5-methoxy-3,10-diazatricyclo[6.4.1.0^{4,13}]trideca-1,4(13),5,7-tetraen-9-one, MAGNESIUM ION, SULFATE ION, ... | Authors: | Wu, D, Huang, Y.Y, Luo, H.B. | Deposit date: | 2021-07-07 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.200136 Å) | Cite: | Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12, 2022
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5Z7C
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![BU of 5z7c by Molmil](/molmil-images/mine/5z7c) | |
7VGB
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![BU of 7vgb by Molmil](/molmil-images/mine/7vgb) | Crystal structure of apo prolyl oligopeptidase from Microbulbifer arenaceous | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Huang, P, Jiang, Z.Q. | Deposit date: | 2021-09-15 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.227 Å) | Cite: | The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms. Acta Crystallogr D Struct Biol, 78, 2022
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7VGC
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![BU of 7vgc by Molmil](/molmil-images/mine/7vgc) | |
7EEJ
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![BU of 7eej by Molmil](/molmil-images/mine/7eej) | Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with cellobiose | Descriptor: | GLYCEROL, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | Authors: | Jiang, Z.Q, Ma, J.W. | Deposit date: | 2021-03-18 | Release date: | 2022-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47798049 Å) | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp. J.Struct.Biol., 213, 2021
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7EE2
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![BU of 7ee2 by Molmil](/molmil-images/mine/7ee2) | Structural insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp.CQ31 | Descriptor: | GLYCEROL, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | Authors: | Jiang, Z.Q, Ma, J. | Deposit date: | 2021-03-17 | Release date: | 2022-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.37011635 Å) | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp. J.Struct.Biol., 213, 2021
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7EEE
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![BU of 7eee by Molmil](/molmil-images/mine/7eee) | Complex structure of glycoside hydrolase family 12 beta-1,3-1,4-glucanase with gentiobiose | Descriptor: | GLYCEROL, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose, glycoside hydrolase family 12 beta-1,3-1,4-glucanase | Authors: | Jiang, Z.Q, Ma, J.W. | Deposit date: | 2021-03-18 | Release date: | 2022-03-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.660792 Å) | Cite: | Structural and biochemical insights into the substrate-binding mechanism of a glycoside hydrolase family 12 beta-1,3-1,4-glucanase from Chaetomium sp. J.Struct.Biol., 213, 2021
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7C6P
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![BU of 7c6p by Molmil](/molmil-images/mine/7c6p) | 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: | 2023-11-29 | 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
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7C2Z
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![BU of 7c2z by Molmil](/molmil-images/mine/7c2z) | 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
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