8EQN
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4LS2
| Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 | Descriptor: | 2-[(E)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Zhu, L, Li, H, Ren, X, Zhu, J. | Deposit date: | 2013-07-21 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313 To be Published
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6ALJ
| ALDH1A2 liganded with NAD and compound WIN18,446 | Descriptor: | Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Chen, Y, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2017-08-08 | Release date: | 2018-01-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors. ACS Chem. Biol., 13, 2018
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4LS1
| Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312 | Descriptor: | 2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Zhu, L, Li, H, Ren, X, Zhu, J. | Deposit date: | 2013-07-21 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312 To be Published
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6B5H
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5EGG
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6B5G
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6B5I
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4JS3
| Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 | Descriptor: | 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide, ACETIC ACID, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Zhu, L, Li, H, Zhu, J, Ren, X. | Deposit date: | 2013-03-22 | Release date: | 2014-03-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 TO BE PUBLISHED
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4JGD
| Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 | Descriptor: | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Zhu, J, Ren, X, Li, H. | Deposit date: | 2013-03-01 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016 TO BE PUBLISHED
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4JTT
| Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066 | Descriptor: | 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Zhu, L, Li, H, Zhu, J, Ren, X. | Deposit date: | 2013-03-24 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 TO BE PUBLISHED
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4JTS
| Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 072 | Descriptor: | 4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Zhu, L, Zhu, J, Ren, X, Li, H. | Deposit date: | 2013-03-24 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057 To be Published
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4G1M
| Re-refinement of alpha V beta 3 structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Springer, T.A, Mi, L, Zhu, J. | Deposit date: | 2012-07-10 | Release date: | 2012-12-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Alpha V Beta 3 Integrin Crystal Structures and their Functional Implications Biochemistry, 51, 2012
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6V0X
| Crystal structure of the bromodomain of human BRD9 bound to sunitinib | Descriptor: | Bromodomain-containing protein 9, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | Authors: | Karim, M.R, Chan, A, Zhu, J.Y, Schonbrunn, E. | Deposit date: | 2019-11-19 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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6UYG
| Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | Authors: | Tzarum, N, Wilson, I.A, Zhu, J. | Deposit date: | 2019-11-13 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.375 Å) | Cite: | Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines. Sci Adv, 6, 2020
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7YKI
| Crystal structure of MAGI2 PDZ0-GK domain in complex with phospho-SAPAP1 GBR3 peptide | Descriptor: | GLYCEROL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ... | Authors: | Zhang, M, Lin, L, Zhu, J. | Deposit date: | 2022-07-22 | Release date: | 2023-08-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs. Sci Adv, 9, 2023
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4Z7Q
| Integrin alphaIIbbeta3 in complex with AGDV-NH2 peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2015-12-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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5F61
| Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-1 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide | Authors: | Ember, S.W, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2015-12-04 | Release date: | 2017-02-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
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4Z7O
| Integrin alphaIIbbeta3 in complex with AGDV peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lin, F.Y, Zhu, J, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2016-01-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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4Z7N
| Integrin alphaIIbbeta3 in complex with AGDV peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Lin, F.-Y, Zhu, J, Springer, T.A. | Deposit date: | 2015-04-07 | Release date: | 2015-12-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece. J.Biol.Chem., 291, 2016
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5L6P
| EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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5L6O
| EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3) | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3 | Authors: | Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C. | Deposit date: | 2016-05-30 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3. J.Am.Chem.Soc., 138, 2016
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5C14
| Crystal structure of PECAM-1 D1D2 domain | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | Authors: | Zhou, D, Paddock, C, Newman, P, Zhu, J. | Deposit date: | 2015-06-12 | Release date: | 2016-01-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for PECAM-1 homophilic binding. Blood, 127, 2016
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5F63
| Crystal structure of the first bromodomain of human BRD4 in complex with SG3-179 | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4 | Authors: | Ember, S.W, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2015-12-04 | Release date: | 2017-02-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
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5F62
| Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-2 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide | Authors: | Ember, S.W, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2015-12-04 | Release date: | 2017-02-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther., 16, 2017
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