6WVX
| Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor | Descriptor: | 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine], Bromodomain-containing protein 4 | Authors: | Eron, S.J. | Deposit date: | 2020-05-07 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design. Acs Chem.Biol., 16, 2021
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2CMH
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2CMG
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3L8E
| Crystal Structure of apo form of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli | Descriptor: | ACETIC ACID, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION | Authors: | Nguyen, H, Peisach, E, Allen, K.N. | Deposit date: | 2009-12-31 | Release date: | 2010-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) . Biochemistry, 49, 2010
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3L8F
| Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with magnesium and phosphate | Descriptor: | D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Nguyen, H, Peisach, E, Allen, K.N. | Deposit date: | 2009-12-31 | Release date: | 2010-02-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) . Biochemistry, 49, 2010
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2PPH
| solution structure of human MEKK3 PB1 domain | Descriptor: | Mitogen-activated protein kinase kinase kinase 3 | Authors: | Hu, Q, Zhang, J, Wu, J, Shi, Y. | Deposit date: | 2007-04-30 | Release date: | 2007-05-22 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Insight into the Binding Properties of MEKK3 PB1 to MEK5 PB1 from Its Solution Structure. Biochemistry, 46, 2007
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3L8G
| Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with D-glycero-D-manno-heptose 1 ,7-bisphosphate | Descriptor: | 1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose, D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, ... | Authors: | Nguyen, H, Peisach, E, Allen, K.N. | Deposit date: | 2009-12-31 | Release date: | 2010-02-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) . Biochemistry, 49, 2010
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3L8H
| Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from B. bronchiseptica complexed with magnesium and phosphate | Descriptor: | FORMIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Nguyen, H, Peisach, E, Allen, K.N. | Deposit date: | 2009-12-31 | Release date: | 2010-02-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) . Biochemistry, 49, 2010
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8JF3
| C-Src in complex with compound 9 | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Zhang, Z.M, Huang, H.S. | Deposit date: | 2023-05-17 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.84647632 Å) | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
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8HKG
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7VJM
| Aca1 in complex with 19bp palindromic DNA substrate | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*GP*GP*CP*AP*CP*AP*TP*TP*GP*TP*GP*CP*CP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*GP*GP*CP*AP*CP*AP*AP*TP*GP*TP*GP*CP*CP*TP*AP*A)-3'), anti-CRISPR-associated protein Aca1 | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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7VJQ
| Pectobacterium phage ZF40 apo-aca2 complexed with 26bp DNA substrate | Descriptor: | CHLORIDE ION, DNA (27-MER), GLYCEROL, ... | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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7VJP
| Selenomethionine-derived Pectobacterium phage ZF40 apo-Aca2 | Descriptor: | SULFATE ION, anti-CRISPR-associated protein Aca2 | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-20 | Last modified: | 2022-02-02 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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7VJO
| Pectobacterium phage ZF40 apo-Aca2 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, anti-CRISPR-associated protein Aca2 | Authors: | Liu, Y.H, Zhang, L.S, Wu, B.X, Huang, H.D. | Deposit date: | 2021-09-28 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2. J.Biol.Chem., 297, 2021
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7W5M
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7WQZ
| Structure of Active-mutEP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain | Authors: | Yang, X.L, Ding, Z.Y, Huang, H.J. | Deposit date: | 2022-01-26 | Release date: | 2022-10-26 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase. Nat Commun, 13, 2022
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7WQW
| Structure of Active-EP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain | Authors: | Yang, X.L, Ding, Z.Y, Huang, H.J. | Deposit date: | 2022-01-26 | Release date: | 2022-10-26 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase. Nat Commun, 13, 2022
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7WR7
| Structure of Inhibited-EP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Enteropeptidase catalytic light chain, ... | Authors: | Yang, X.L, Ding, Z.Y, Huang, H.J. | Deposit date: | 2022-01-26 | Release date: | 2022-10-26 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase. Nat Commun, 13, 2022
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7WQX
| Structure of Inactive-EP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase | Authors: | Yang, X.L, Ding, Z.Y, Huang, H.J. | Deposit date: | 2022-01-26 | Release date: | 2022-10-26 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase. Nat Commun, 13, 2022
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7VCL
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7VCQ
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7DQZ
| Crystal structure of SARS 3C-like protease in apo form | Descriptor: | 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2020-12-24 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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7EO8
| Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2021-04-21 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2808516 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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7VJN
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7EO7
| Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | Deposit date: | 2021-04-21 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24916625 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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