5A61
 
 | | Crystal structure of full-length E. coli ygiF in complex with tripolyphosphate and two manganese ions. | | 分子名称: | 1,2-ETHANEDIOL, INORGANIC TRIPHOSPHATASE, MANGANESE (II) ION, ... | | 著者 | Martinez, J, Truffault, V, Hothorn, M. | | 登録日 | 2015-06-23 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
J.Biol.Chem., 290, 2015
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6F86
 | | Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide | | 分子名称: | 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | | 著者 | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | | 登録日 | 2017-12-12 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
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4XHQ
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8HS6
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7BUC
 | | Crystal structure of EHMT2 SET domain in complex with compound 13 | | 分子名称: | Histone-lysine N-methyltransferase EHMT2, N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ... | | 著者 | Suzuki, M, Mizuno, M, Katayama, K. | | 登録日 | 2020-04-06 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
Bioorg.Med.Chem.Lett., 30, 2020
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8AVT
 | | Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of glycerol 3-phosphate | | 分子名称: | 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ... | | 著者 | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | | 登録日 | 2022-08-26 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
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5A5Y
 | | Crystal structure of AtTTM3 in complex with tripolyphosphate and magnesium ion (form A) | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, TRIPHOSPHATE, ... | | 著者 | Martinez, J, Truffault, V, Hothorn, M. | | 登録日 | 2015-06-23 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
J.Biol.Chem., 290, 2015
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5NGT
 | | Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION | | 著者 | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | | 登録日 | 2017-03-20 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.
J. Med. Chem., 60, 2017
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1FL6
 | | THE HAPTEN COMPLEXED GERMLINE PRECURSOR TO SULFIDE OXIDASE CATALYTIC ANTIBODY 28B4 | | 分子名称: | 1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID, ANTIBODY GERMLINE PRECURSOR TO 28B4 | | 著者 | Yin, J, Mundorff, E.C, Yang, P.L, Wendt, K.U, Hanway, D, Stevens, R.C, Schultz, P.G. | | 登録日 | 2000-08-11 | | 公開日 | 2001-11-14 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A comparative analysis of the immunological evolution of antibody 28B4.
Biochemistry, 40, 2001
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8AVU
 | | Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the dimeric state | | 分子名称: | 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ... | | 著者 | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | | 登録日 | 2022-08-26 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (0.89 Å) | | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
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5J3Z
 | | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, ACETATE ION, ... | | 著者 | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | | 登録日 | 2016-03-31 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
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5CZ0
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5NKT
 | | FimA wt from E. coli | | 分子名称: | SULFATE ION, Type-1 fimbrial protein, A chain | | 著者 | Zyla, D, Capitani, G, Prota, A, Glockshuber, R. | | 登録日 | 2017-04-03 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria.
J.Biol.Chem., 2019
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9LKI
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6Z3R
 | | Structure of SMG1-8-9 kinase complex bound to UPF1-LSQ | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Langer, L.M, Gat, Y, Conti, E. | | 登録日 | 2020-05-21 | | 公開日 | 2020-06-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structure of substrate-bound SMG1-8-9 kinase complex reveals molecular basis for phosphorylation specificity.
Elife, 9, 2020
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5NQK
 | | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | 著者 | Exertier, C, Reiser, J.-B, Lantez, V, Chouquet, A, Bonneville, M, Saulquin, X, Housset, D. | | 登録日 | 2017-04-20 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | human 199.16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
To Be Published
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6B1Z
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8U49
 | | The Apo Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Araujo, E.A, Polikarpov, I. | | 登録日 | 2023-09-10 | | 公開日 | 2024-02-14 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Molecular mechanism of cellulose depolymerization by the two-domain BlCel9A enzyme from the glycoside hydrolase family 9.
Carbohydr Polym, 329, 2024
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4NKI
 | | Crystal structure of a Fab | | 分子名称: | 1,2-ETHANEDIOL, Fab heavy chain, Fab light chain | | 著者 | Jiang, X. | | 登録日 | 2013-11-12 | | 公開日 | 2014-11-12 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Epitope characterization of an anti-PD-L1 antibody using orthogonal approaches.
J.Mol.Recognit., 28, 2015
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8P1T
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470 | | 分子名称: | 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ... | | 著者 | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | | 登録日 | 2023-05-12 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.442 Å) | | 主引用文献 | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
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9D3V
 | | CRYSTAL STRUCTURE OF EGFR(L858R/T790M/C797S) IN COMPLEX WITH AUR-3418 | | 分子名称: | (4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine, CHLORIDE ION, Epidermal growth factor receptor | | 著者 | Bell, J.A. | | 登録日 | 2024-08-12 | | 公開日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Discovery of a Novel Mutant-Selective Epidermal Growth Factor Receptor Inhibitor Using an In Silico Enabled Drug Discovery Platform.
J.Med.Chem., 67, 2024
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7T1G
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385595 | | 分子名称: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine, Pantothenate kinase CAB1 | | 著者 | Gihaz, S, Ben Mamoun, C. | | 登録日 | 2021-12-01 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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8HMB
 | | Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with benidipine (BEN) | | 分子名称: | (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wei, Y, Yu, Z, Zhao, Y. | | 登録日 | 2022-12-02 | | 公開日 | 2024-04-24 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
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7BYN
 | | Cryo-EM structure of human KCNQ4 with linopirdine | | 分子名称: | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one, Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, ... | | 著者 | Shen, H, Li, T, Yue, Z. | | 登録日 | 2020-04-23 | | 公開日 | 2020-12-02 | | 最終更新日 | 2025-06-18 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs.
Mol.Cell, 81, 2021
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5KU8
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