3GR2
 
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5FSW
 | | RNA dependent RNA polymerase QDE-1 from Thielavia terrestris | | Descriptor: | RNA DEPENDENT RNA POLYMERASE QDE-1 | | Authors: | Qian, X, Hamid, F.M, El Sahili, A, Darwis, D.A, Wong, Y.H, Bhushan, S, Makeyev, E.V, Lescar, J. | | Deposit date: | 2016-01-08 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Functional Evolution in Orthologous Cell-Encoded RNA-Dependent RNA Polymerases
J.Biol.Chem., 291, 2016
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2D05
 | | Chitosanase From Bacillus circulans mutant K218P | | Descriptor: | Chitosanase, SULFATE ION | | Authors: | Fukamizo, T, Amano, S, Yamaguchi, K, Yoshikawa, T, Katsumi, T, Saito, J, Suzuki, M, Miki, K, Nagata, Y, Ando, A. | | Deposit date: | 2005-07-25 | | Release date: | 2005-12-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Bacillus circulans MH-K1 Chitosanase: Amino Acid Residues Responsible for Substrate Binding
J.Biochem.(Tokyo), 138, 2005
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3GRD
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4HXK
 | | Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor | | Descriptor: | 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
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6K8X
 | | Crystal structure of a class C beta lactamase | | Descriptor: | Beta-lactamase | | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | | Deposit date: | 2019-06-13 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
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3TU8
 | | Crystal Structure of the Burkholderia Lethal Factor 1 (BLF1) | | Descriptor: | BROMIDE ION, Burkholderia Lethal Factor 1 (BLF1) | | Authors: | Cruz, A, Hautbergue, G.M, Artymiuk, P.J, Baker, P.J, Chang, C.T, Mahadi, N.M, Mobbs, G.W, Mohamed, R, Nathan, S, Partridge, L.J, Raih, M.F, Ruzheinikov, S.N, Sedelnikova, S.E, Wilson, S.A, Rice, D.W. | | Deposit date: | 2011-09-16 | | Release date: | 2011-11-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | A Burkholderia pseudomallei toxin inhibits helicase activity of translation factor eIF4A.
Science, 334, 2011
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3ZZO
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1XL7
 | | Crystal Structure of Mouse Carnitine Octanoyltransferase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peroxisomal carnitine O-octanoyltransferase | | Authors: | Jogl, G, Hsiao, Y.S, Tong, L. | | Deposit date: | 2004-09-30 | | Release date: | 2004-10-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of mouse carnitine octanoyltransferase and molecular determinants of substrate selectivity.
J.Biol.Chem., 280, 2005
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1PBQ
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3LHQ
 | | DNA-binding transcriptional repressor AcrR from Salmonella typhimurium. | | Descriptor: | 1,2-ETHANEDIOL, AcrAB operon repressor (TetR/AcrR family), DI(HYDROXYETHYL)ETHER | | Authors: | Osipiuk, J, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-01-22 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | X-ray crystal structure of DNA-binding transcriptional repressor AcrR from Salmonella typhimurium.
To be Published
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3H4Y
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3LK7
 | | The Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate (MurD) ligase from Streptococcus agalactiae to 1.5A | | Descriptor: | CHLORIDE ION, SULFATE ION, UDP-N-acetylmuramoylalanine--D-glutamate ligase | | Authors: | Stein, A.J, Sather, A, Shakelford, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-01-27 | | Release date: | 2010-02-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate (MurD) ligase from Streptococcus agalactiae to 1.5A
To be Published
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3GJU
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5OTQ
 | | The crystal structure of CK2alpha in complex with compound 33 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-22 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5SKI
 | | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(nc(c1ccccc1)nc2NCc4nn3c(cnc(c3n4)C)C)C, micromolar IC50=0.178156 | | Descriptor: | MAGNESIUM ION, N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine, ZINC ION, ... | | Authors: | Joseph, C, Benz, J, Flohr, A, Rudolph, M.G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structure of a human phosphodiesterase 10 complex
To be published
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3CPB
 | | Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor | | Descriptor: | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | | Deposit date: | 2008-03-31 | | Release date: | 2008-06-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
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9HSV
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7Q49
 | | Local refinement structure of the N-domain of full-length, monomeric, soluble somatic angiotensin I-converting enzyme | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ZINC ION, ... | | Authors: | Lubbe, L, Sewell, B.T, Sturrock, E.D. | | Deposit date: | 2021-10-29 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
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2YIQ
 | | Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322 | | Descriptor: | (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | | Deposit date: | 2011-05-16 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
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9IMO
 | | Crystal structure of Tubulin-RB3-TTL-Y12 | | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Yan, W, Yang, J.H. | | Deposit date: | 2024-07-04 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification of a ligand-binding site on tubulin mediating the tubulin-RB3 interaction.
Proc.Natl.Acad.Sci.USA, 122, 2025
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6K04
 | | Crystal structure of BRD2(BD2)with ligand BY27 bound | | Descriptor: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2 | | Authors: | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | | Deposit date: | 2019-05-05 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.251 Å) | | Cite: | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
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4MIB
 | | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide) | | Descriptor: | DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | | Authors: | Harris, S.F, Villasenor, A.G. | | Deposit date: | 2013-08-30 | | Release date: | 2014-05-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
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7COX
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9IM5
 | | Tubulin-RB3(MUT)-TTL-Y12 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yan, W, Yang, J.H. | | Deposit date: | 2024-07-02 | | Release date: | 2025-02-26 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Identification of a ligand-binding site on tubulin mediating the tubulin-RB3 interaction.
Proc.Natl.Acad.Sci.USA, 122, 2025
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