4LKH
| The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with human receptor analog 6'SLNLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.099 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4LKI
| The structure of hemagglutinin L226Q mutant from a avian-origin H7N9 influenza virus (A/Anhui/1/2013) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-07-07 | Release date: | 2013-11-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses Science, 342, 2013
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4KOM
| The structure of hemagglutinin from avian-origin H7N9 influenza virus in complex with avian receptor analog 3'SLNLN (NeuAcα2-3Galβ1-4GlcNAcβ1-3Galβ1-4Glc) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ... | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-12 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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8H41
| Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol | Descriptor: | MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase | Authors: | Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X. | Deposit date: | 2022-10-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase Catalysts, 12, 2022
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4KOL
| The structure of hemagglutinin from avian-origin H7N9 influenza virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2 | Authors: | Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-12 | Release date: | 2013-11-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses. Science, 342, 2013
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2ROV
| The split PH domain of ROCK II | Descriptor: | Rho-associated protein kinase 2 | Authors: | Wen, W, Zhang, M. | Deposit date: | 2008-04-25 | Release date: | 2008-06-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The split PH domain of ROCK II To be Published
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2ROW
| The C1 domain of ROCK II | Descriptor: | Rho-associated protein kinase 2, ZINC ION | Authors: | Wen, W, Zhang, M. | Deposit date: | 2008-04-25 | Release date: | 2008-06-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | The C1 domain of ROCK II To be Published
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6YQ6
| Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... | Authors: | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | Deposit date: | 2020-04-16 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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6YPZ
| Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... | Authors: | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | Deposit date: | 2020-04-16 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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6YQ3
| Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | Descriptor: | (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ... | Authors: | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | Deposit date: | 2020-04-16 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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6YQ0
| Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | Descriptor: | (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ... | Authors: | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | Deposit date: | 2020-04-16 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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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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7BPC
| Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with 2,5-DHBA | Descriptor: | 2,3-dihydroxybenzoate decarboxylase, 2,5-dihydroxybenzoic acid, ZINC ION | Authors: | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2020-03-22 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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7BP1
| Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with Catechol | Descriptor: | 2,3-dihydroxybenzoate decarboxylase, CATECHOL, ZINC ION | Authors: | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | Deposit date: | 2020-03-21 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem, 21, 2020
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6AEI
| Cryo-EM structure of the receptor-activated TRPC5 ion channel | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | Authors: | Duan, J, Li, Z, Li, J, Zhang, J. | Deposit date: | 2018-08-05 | Release date: | 2019-08-07 | Last modified: | 2019-08-14 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function. Sci Adv, 5, 2019
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4OLT
| Chitosanase complex structure | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase, GLYCEROL | Authors: | Liu, W.Z, Lyu, Q.Q, Han, B.Q. | Deposit date: | 2014-01-25 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural insights into the substrate-binding mechanism for a novel chitosanase. Biochem.J., 461, 2014
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6M2Z
| Crystal structure of a formolase, BFD variant M3 from Pseudomonas putida | Descriptor: | Benzoylformate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Wei, H.L, Liu, W.D, Li, T.Z, Zhu, L.L. | Deposit date: | 2020-03-02 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Totally atom-economical synthesis of lactic acid from formaldehyde: combined bio-carboligation and chemo-rearrangement without the isolation of intermediate. Green Chem, 22, 2020
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6M2Y
| Crystal structure of a formolase, BFD variant M6 from Pseudomonas putida | Descriptor: | Benzoylformate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Wei, H.L, Liu, W.D, Li, T.Z, Zhu, L.L. | Deposit date: | 2020-03-02 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Totally atom-economical synthesis of lactic acid from formaldehyde: combined bio-carboligation and chemo-rearrangement without the isolation of intermediate. Green Chem, 22, 2020
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6VBN
| Crystal Structure of hTDO2 bound to inhibitor GNE1 | Descriptor: | 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase | Authors: | Harris, S.F, Oh, A. | Deposit date: | 2019-12-19 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8GWS
| SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4 | Descriptor: | Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG | Authors: | Liu, M, Fu, Z, Huang, H. | Deposit date: | 2022-09-17 | Release date: | 2023-08-23 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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8GW4
| SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1 | Descriptor: | Replicase polyprotein 1ab, peptide 8-1 | Authors: | Liu, M, Huang, H. | Deposit date: | 2022-09-16 | Release date: | 2023-08-23 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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5I95
| Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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5BTU
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5BU3
| Crystal Structure of Diels-Alderase PyrI4 in complex with its product | Descriptor: | (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4 | Authors: | Pan, L, Guo, Y, Liu, J. | Deposit date: | 2015-06-03 | Release date: | 2016-02-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4 Cell Chem Biol, 23, 2016
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5I96
| Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | Descriptor: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | Authors: | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
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