5M0N
 
 | | Crystal structure of cytochrome P450 OleT in complex with formate | | Descriptor: | FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | | Deposit date: | 2016-10-05 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017
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5LS6
 | | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | | Descriptor: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | | Authors: | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | | Deposit date: | 2016-08-22 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.47 Å) | | Cite: | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
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5M0P
 | | Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, Terminal olefin-forming fatty acid decarboxylase, ... | | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | | Deposit date: | 2016-10-05 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017
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5M0O
 | | Crystal structure of cytochrome P450 OleT H85Q in complex with arachidonic acid | | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | | Deposit date: | 2016-10-05 | | Release date: | 2017-01-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE.
J. Biol. Chem., 292, 2017
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5NNO
 | | Structure of TbALDH3 complexed with NAD and AN3057 aldehyde | | Descriptor: | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde, Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Zoltner, M, Zhang, N, Horn, D, Field, M.C. | | Deposit date: | 2017-04-10 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles.
PLoS Pathog., 14, 2018
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5HOT
 | | Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase | | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase | | Authors: | Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D. | | Deposit date: | 2016-01-19 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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5I89
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 | | Descriptor: | (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ... | | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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5I83
 | | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 | | Descriptor: | (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION | | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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5I8E
 | | Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab | | Descriptor: | VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION | | Authors: | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | | Deposit date: | 2016-02-18 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.655 Å) | | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
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5I8B
 | | CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | | Descriptor: | (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Murray, J.M. | | Deposit date: | 2016-02-18 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5218 Å) | | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
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7BR2
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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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7CMA
 | | Structure of A151R from African swine fever virus Georgia | | Descriptor: | A151R, ZINC ION | | Authors: | Niu, D, Liu, K, Huang, J, Chen, C, Liu, W, Guo, R. | | Deposit date: | 2020-07-26 | | Release date: | 2021-06-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure basis of non-structural protein pA151R from African Swine Fever Virus.
Biochem.Biophys.Res.Commun., 532, 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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7DWA
 | | Structure of a novel beta-mannanase BaMan113A with mannotriose, N236Y mutation | | Descriptor: | Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | | Authors: | Liu, W.T, Liu, W.D, Zheng, Y.Y. | | Deposit date: | 2021-01-15 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
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7DW8
 | | Structure of a novel beta-mannanase BaMan113A with mannobiose, N236Y mutation. | | Descriptor: | Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | | Authors: | Liu, W.T, Liu, W.D, Zheng, Y.Y. | | Deposit date: | 2021-01-15 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
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7DVJ
 | | Structure of beta-mannanase BaMan113A with mannobiose | | Descriptor: | Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | | Authors: | Liu, W.T, Liu, W.D, Zheng, Y.Y. | | Deposit date: | 2021-01-13 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
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7DVZ
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7DV7
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8FHM
 | | RNase A-Uridine 5'-Hexaphosphate (RNaseA.p6U) | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic | | Authors: | Park, G, Cummins, C. | | Deposit date: | 2022-12-14 | | Release date: | 2023-12-20 | | Last modified: | 2024-08-07 | | Method: | SOLUTION SCATTERING (1.79 Å), X-RAY DIFFRACTION | | Cite: | Pentaphosphorylation via the Anhydride of Dihydrogen Pentametaphosphate: Access to Nucleoside Hexa- and Heptaphosphates and Study of Their Interaction with Ribonuclease A.
Acs Cent.Sci., 10, 2024
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8G1T
 | | Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX | | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S. | | Deposit date: | 2023-02-02 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8FNB
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8FNA
 | | Crystal structure of the C-terminal Fg domain of human TNR | | Descriptor: | CALCIUM ION, GLYCEROL, Tenascin-R | | Authors: | Bouyain, S. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Protein-protein interactions between tenascin-R and RPTP zeta /phosphacan are critical to maintain the architecture of perineuronal nets.
J.Biol.Chem., 299, 2023
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8FN8
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8FN9
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