3WB9
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![BU of 3wb9 by Molmil](/molmil-images/mine/3wb9) | Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum | Descriptor: | Diaminopimelate dehydrogenase, GLYCEROL | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-14 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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3WBF
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![BU of 3wbf by Molmil](/molmil-images/mine/3wbf) | Crystal Structure of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum co-crystallized with NADP+ and DAP | Descriptor: | 2,6-DIAMINOPIMELIC ACID, Diaminopimelate dehydrogenase, GLYCEROL, ... | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-15 | Release date: | 2014-03-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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3WBB
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![BU of 3wbb by Molmil](/molmil-images/mine/3wbb) | Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum | Descriptor: | Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2013-05-14 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum. Chembiochem, 15, 2014
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6KZO
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![BU of 6kzo by Molmil](/molmil-images/mine/6kzo) | membrane protein | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yan, N. | Deposit date: | 2019-09-25 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of apo and antagonist-bound human Cav3.1. Nature, 576, 2019
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4RZE
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![BU of 4rze by Molmil](/molmil-images/mine/4rze) | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
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7OQU
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![BU of 7oqu by Molmil](/molmil-images/mine/7oqu) | Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180 | Descriptor: | (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide, 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), ... | Authors: | Centorrino, F, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7OQW
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![BU of 7oqw by Molmil](/molmil-images/mine/7oqw) | |
7OQ8
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![BU of 7oq8 by Molmil](/molmil-images/mine/7oq8) | |
7OQ7
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![BU of 7oq7 by Molmil](/molmil-images/mine/7oq7) | |
7OPW
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![BU of 7opw by Molmil](/molmil-images/mine/7opw) | |
7OQG
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![BU of 7oqg by Molmil](/molmil-images/mine/7oqg) | |
7OQJ
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![BU of 7oqj by Molmil](/molmil-images/mine/7oqj) | |
7OQS
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![BU of 7oqs by Molmil](/molmil-images/mine/7oqs) | Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177 | Descriptor: | 14-3-3 protein sigma, 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide, Amot-p130 phosphopeptide (pS175), ... | Authors: | Centorrino, F, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7OQ9
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![BU of 7oq9 by Molmil](/molmil-images/mine/7oq9) | |
7OQA
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![BU of 7oqa by Molmil](/molmil-images/mine/7oqa) | |
6M53
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![BU of 6m53 by Molmil](/molmil-images/mine/6m53) | Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum | Descriptor: | 2,3-dihydroxybenzoate decarboxylase, GLYCEROL, ZINC ION | Authors: | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2020-03-09 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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7DL0
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![BU of 7dl0 by Molmil](/molmil-images/mine/7dl0) | The mutant E310G/A314Y of 3,5-DAHDHcca complex with NADPH | Descriptor: | 1,2-ETHANEDIOL, 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, ... | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL7
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![BU of 7dl7 by Molmil](/molmil-images/mine/7dl7) | The wild-type structure of 3,5-DAHDHcca | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,5-diaminohexanoate dehydrogenase, ... | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-26 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.30065823 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL1
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![BU of 7dl1 by Molmil](/molmil-images/mine/7dl1) | The mutant E310G/G323S structure of 3,5-DAHDHcca complex with NADPH | Descriptor: | 3,5-diaminohexanoate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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7DL3
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![BU of 7dl3 by Molmil](/molmil-images/mine/7dl3) | The structure of 3,5-DAHDHcca complex with NADPH | Descriptor: | 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | Deposit date: | 2020-11-25 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84606934 Å) | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids. Angew.Chem.Int.Ed.Engl., 60, 2021
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6V2F
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![BU of 6v2f by Molmil](/molmil-images/mine/6v2f) | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | Descriptor: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | Authors: | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | Deposit date: | 2019-11-22 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Clinical targeting of HIV capsid protein with a long-acting small molecule. Nature, 584, 2020
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6MT0
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![BU of 6mt0 by Molmil](/molmil-images/mine/6mt0) | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor | Descriptor: | 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Mohr, C. | Deposit date: | 2018-10-18 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies. J. Med. Chem., 62, 2019
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6TQK
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![BU of 6tqk by Molmil](/molmil-images/mine/6tqk) | Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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6TQL
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![BU of 6tql by Molmil](/molmil-images/mine/6tql) | Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | Deposit date: | 2019-12-16 | Release date: | 2020-11-04 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer. Embo J., 39, 2020
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6WU8
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![BU of 6wu8 by Molmil](/molmil-images/mine/6wu8) | Structure of human SHP2 in complex with inhibitor IACS-13909 | Descriptor: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Joseph, S, Rodenberger, A. | Deposit date: | 2020-05-04 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib. Cancer Res., 80, 2020
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