6AFR
 
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with 5-((4-fluoro-1H-imidazol-1-yl)methyl)quinolin-8-ol | | Descriptor: | 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol, Bromodomain-containing protein 4 | | Authors: | Xing, J, Zhang, R.K, Zheng, M.Y, Luo, C, Jiang, X.R. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
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5H21
 | | Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4 | | Descriptor: | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4 | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2016-10-13 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
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4RHZ
 | | Crystal structure of Cry23Aa1 and Cry37Aa1 binary protein complex | | Descriptor: | CALCIUM ION, Cry23AA1, Cry37AA1, ... | | Authors: | Rydel, T.J, Williams, J.M, Brown, G.R, Guzov, V.M, Sturman, E.J, Evdokimov, A. | | Deposit date: | 2014-10-03 | | Release date: | 2015-10-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The Associated Bacillus thuringiensis Binary Protein Complex of Cry23Aa1 and Cry37Aa1: Crystal Structure, Insecticidal Data, and Pore Formation Modeling.
To be Published
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5YGI
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2OUV
 | | crystal structure of pde10a2 mutant of D564N | | Descriptor: | MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | | Deposit date: | 2007-02-12 | | Release date: | 2007-03-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUY
 | | crystal structure of pde10a2 mutant D564A in complex with cAMP. | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | | Deposit date: | 2007-02-12 | | Release date: | 2007-03-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OUP
 | | crystal structure of PDE10A | | Descriptor: | MAGNESIUM ION, ZINC ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | | Authors: | Wang, H.C, Liu, Y.D, Hou, J, Zheng, M.Y, Robinson, H. | | Deposit date: | 2007-02-12 | | Release date: | 2007-03-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | From the Cover: Structural insight into substrate specificity of phosphodiesterase 10.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3PCU
 | | Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide | | Descriptor: | 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X. | | Deposit date: | 2010-10-22 | | Release date: | 2011-11-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | (+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
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5Y1Y
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4PLJ
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4PLK
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7E6V
 | | The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa | | Descriptor: | ACETATE ION, Protein 2C | | Authors: | Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S. | | Deposit date: | 2021-02-24 | | Release date: | 2022-06-29 | | Last modified: | 2022-07-20 | | Method: | X-RAY DIFFRACTION (1.832 Å) | | Cite: | An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein.
Cell Rep, 40, 2022
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5Z5T
 | | The first bromodomain of BRD4 with compound BDF-2141 | | Descriptor: | 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4 | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2018-01-20 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
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5Z5V
 | | The first bromodomain of BRD4 with compound BDF-1253 | | Descriptor: | Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2018-01-20 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
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5Z5U
 | | The first bromodomain of BRD4 with compound BDF-2254 | | Descriptor: | 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4 | | Authors: | Zhang, H, Luo, C. | | Deposit date: | 2018-01-20 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
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5WUU
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3TV0
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4G2Y
 | | Crystal structure of PDE5A complexed with its inhibitor | | Descriptor: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-07-13 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
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4G2W
 | | Crystal structure of PDE5A in complex with its inhibitor | | Descriptor: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-07-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
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3DP1
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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3DP0
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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3DOY
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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3DP3
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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3DP2
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3j | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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3DOZ
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3k | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ... | | Authors: | Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H. | | Deposit date: | 2008-07-07 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
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