4E0T
 
 | | Crystal structure of CdpNPT in its unbound state | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclic dipeptide N-prenyltransferase, ... | | 著者 | Schuller, J.M, Zocher, G, Stehle, T. | | 登録日 | 2012-03-05 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity.
J.Mol.Biol., 422, 2012
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7WXF
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7WX4
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5HO0
 | | Crystal structure of AbnA (closed conformation), a GH43 extracellular arabinanase from Geobacillus stearothermophilus | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Lansky, S, Shwartstien, S, Salama, R, Shoham, Y, Shoham, G. | | 登録日 | 2016-01-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal structure of AbnA (closed conformation), a GH43 extracellular arabinanase from Geobacillus stearothermophilus
To Be Published
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5AD3
 | | Bivalent binding to BET bromodomains | | 分子名称: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | 登録日 | 2015-08-19 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
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2VK3
 | | Crystal structure of rat profilin 2a | | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, PROFILIN-2, ... | | 著者 | Haikarainen, T, Kursula, P. | | 登録日 | 2007-12-17 | | 公開日 | 2009-02-10 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure, Modifications and Ligand-Binding Properties of Rat Profilin 2A.
Acta Crystallogr.,Sect.D, 65, 2009
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7WX3
 | | GK domain of Drosophila P5CS filament with glutamate, ATP, and NADPH | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Delta-1-pyrroline-5-carboxylate synthase, GAMMA-GLUTAMYL PHOSPHATE, ... | | 著者 | Liu, J.L, Zhong, J, Guo, C.J, Zhou, X. | | 登録日 | 2022-02-14 | | 公開日 | 2022-04-06 | | 最終更新日 | 2025-09-17 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
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5VBM
 | | Crystal Structure of Small Molecule Disulfide 2C07 Bound to K-Ras Cys Light M72C GDP | | 分子名称: | 1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Gentile, D.R, Jenkins, M.L, Moss, S.M, Burke, J.E, Shokat, K.M. | | 登録日 | 2017-03-29 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Ras Binder Induces a Modified Switch-II Pocket in GTP and GDP States.
Cell Chem Biol, 24, 2017
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4NUS
 | | Rsk2 N-terminal kinase in complex with LJH685 | | 分子名称: | 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol, Ribosomal protein S6 kinase alpha-3 | | 著者 | Appleton, B.A. | | 登録日 | 2013-12-04 | | 公開日 | 2014-03-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers.
Mol Cancer Res, 12, 2014
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1PSH
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6FM4
 | | The crystal structure of S. aureus Gyrase complex with ID-130 and DNA | | 分子名称: | 5'-O-CARBOXY-2'-DEOXYADENOSINE, DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*C)-3'), DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | 著者 | Ombrato, R, Garofalo, B, Mangano, G, Mancini, F. | | 登録日 | 2018-01-30 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Virtual Screening Approach and Investigation of Structure-Activity Relationships To Discover Novel Bacterial Topoisomerase Inhibitors Targeting Gram-Positive and Gram-Negative Pathogens.
J.Med.Chem., 62, 2019
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5HXV
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3ULG
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7FZZ
 | | Crystal Structure of human FABP4 in complex with 3-[(2,4-dichloro-5-methylphenyl)sulfonylamino]thiophene-2-carboxamide, i.e. SMILES C1(=C(SC=C1)C(=O)N)NS(=O)(=O)c1c(cc(c(c1)C)Cl)Cl with IC50=0.199 microM | | 分子名称: | 3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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3US5
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4BMX
 | | Native structure of futalosine hydrolase of Helicobacter pylori strain 26695 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, MTA/SAH NUCLEOSIDASE | | 著者 | Kim, R.Q, Offen, W.A, Stubbs, K.A, Davies, G.J. | | 登録日 | 2013-05-12 | | 公開日 | 2013-09-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Structural Enzymology of Helicobacter Pylori Methylthioadenosine Nucleosidase in the Futalosine Pathway
Acta Crystallogr.,Sect.D, 70, 2014
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6FG6
 | | Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridinone compound 1 | | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | 著者 | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | 登録日 | 2018-01-10 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | | 主引用文献 | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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4NV7
 | | Crystal Structure of Mesorhizobium Loti Arylamine N-acetyltransferase 1 In Complex With CoA | | 分子名称: | Arylamine N-acetyltransferase, COENZYME A | | 著者 | Xu, X.M, Haouz, A, Weber, P, Li de la sierra-gallay, I, Kubiak, X, Dupret, J.-M, Rodrigues-lima, F. | | 登録日 | 2013-12-05 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Insight into cofactor recognition in arylamine N-acetyltransferase enzymes: structure of Mesorhizobium loti arylamine N-acetyltransferase in complex with coenzyme A.
Acta Crystallogr.,Sect.D, 71, 2015
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6BXS
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6FH5
 | | PI3Kg IN COMPLEX WITH Compound 7 | | 分子名称: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Petersen, J, Barlaam, B. | | 登録日 | 2018-01-12 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors
To Be Published
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3UTU
 | | High affinity inhibitor of human thrombin | | 分子名称: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2S)-2-[(3-chloro-4-methoxybenzene)sulfonamido]-3-{[(4-cyanophenyl)methyl]carbamoyl}propanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | | 著者 | Baum, B, Steinmetzer, T, Heine, A, Klebe, G. | | 登録日 | 2011-11-26 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Beyond heparinization: design of highly potent thrombin inhibitors suitable for surface coupling
Chemmedchem, 7, 2012
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3NMV
 | | Crystal structure of pyrabactin-bound abscisic acid receptor PYL2 mutant A93F in complex with type 2C protein phosphatase ABI2 | | 分子名称: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | 著者 | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | | 登録日 | 2010-06-22 | | 公開日 | 2010-08-25 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification and mechanism of ABA receptor antagonism.
Nat.Struct.Mol.Biol., 17, 2010
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6FJ5
 | | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-AGG-HG) | | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA, ... | | 著者 | Golovenko, D, Rozenberg, H, Shakked, Z. | | 登録日 | 2018-01-20 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.051 Å) | | 主引用文献 | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
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4NZY
 | | Crystal structure (type-2) of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S. | | 登録日 | 2013-12-13 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Insight into Substrate Binding Mechanism in Thymidylate Kinase based on Intrinsic Dynamics of the Active Site
To be Published
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7FAK
 | | Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L96 and L-pro | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, ACETATE ION, ... | | 著者 | Malhotra, N, Mishra, S, Yogavel, M, Sharma, A. | | 登録日 | 2021-07-06 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
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