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PDB: 52974 件

3ZOS
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Structure of the DDR1 kinase domain in complex with ponatinib
分子名称: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1
著者Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Bradley, A, Coutandin, D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2013-02-22
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
1T9S
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BU of 1t9s by Molmil
Catalytic Domain Of Human Phosphodiesterase 5A in Complex with GMP
分子名称: GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ...
著者Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G.
登録日2004-05-18
公開日2004-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
5D81
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Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y57(Cl-Y)
分子名称: Delta(5)-3-ketosteroid isomerase, SULFATE ION
著者Wu, Y, Fried, S.D, Boxer, S.G.
登録日2015-08-15
公開日2015-12-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
2VZX
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Structural and spectroscopic characterization of photoconverting fluorescent protein Dendra2
分子名称: GLYCEROL, Green fluorescent protein, TETRAETHYLENE GLYCOL
著者Adam, V, Nienhaus, K, Bourgeois, D, Nienhaus, G.U.
登録日2008-08-06
公開日2009-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Enhanced Photoconversion Yield in Green Fluorescent Protein-Like Protein Dendra2.
Biochemistry, 48, 2009
1TBB
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BU of 1tbb by Molmil
Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Rolipram
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ...
著者Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G.
登録日2004-05-19
公開日2004-08-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Mol.Cell, 15, 2004
5D86
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Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P.
登録日2015-08-15
公開日2016-02-03
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
6W9P
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BU of 6w9p by Molmil
Tel26 Parallel Four-quartet G-quadruplex with K+
分子名称: DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*T)-3'), POTASSIUM ION, SODIUM ION
著者McCarthy, S.E, Yatsunyk, L.A, Beseiso, D, Miao, J.
登録日2020-03-23
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes.
Nucleic Acids Res., 50, 2022
4IPX
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BU of 4ipx by Molmil
Analyzing the visible conformational substates of the FK506 binding protein FKBP12
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A
著者Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G.
登録日2013-01-10
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Analysing the visible conformational substates of the FK506-binding protein FKBP12.
Biochem.J., 453, 2013
4IGF
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BU of 4igf by Molmil
Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one
分子名称: 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one, Enoyl-acyl carrier reductase, GLYCEROL, ...
著者Kostrewa, D, Perozzo, R.
登録日2012-12-17
公開日2013-11-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, Synthesis, and Biological and Crystallographic Evaluation of Novel Inhibitors of Plasmodium falciparum Enoyl-ACP-reductase (PfFabI)
J.Med.Chem., 56, 2013
5D83
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Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y32(Cl-Y)
分子名称: Delta(5)-3-ketosteroid isomerase
著者Wu, Y, Fried, S.D, Boxer, S.G.
登録日2015-08-15
公開日2015-12-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
1TIE
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BU of 1tie by Molmil
CRYSTAL STRUCTURE OF A KUNITZ-TYPE TRYPSIN INHIBITOR FROM ERYTHRINA CAFFRA SEEDS
分子名称: ERYTHRINA TRYPSIN INHIBITOR
著者Onesti, S, Brick, P, Blow, D.M.
登録日1991-02-14
公開日1992-07-15
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a Kunitz-type trypsin inhibitor from Erythrina caffra seeds.
J.Mol.Biol., 217, 1991
1TJE
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BU of 1tje by Molmil
Crystal structure of the editing domain of threonyl-tRNA synthetase
分子名称: Threonyl-tRNA synthetase
著者Dock-Bregeon, A.C, Rees, B, Torres-Larios, A, Bey, G, Caillet, J, Moras, D.
登録日2004-06-04
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Achieving Error-Free Translation; The Mechanism of Proofreading of Threonyl-tRNA Synthetase at Atomic Resolution.
Mol.Cell, 16, 2004
5KMQ
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BU of 5kmq by Molmil
The structure of I379E variant of type II NADH dehydrogenase from Caldalkalibacillus thermarum
分子名称: FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
著者Cook, G.M, Aragao, D, Nakatani, Y.
登録日2016-06-27
公開日2017-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
6VPV
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BU of 6vpv by Molmil
Trimeric Photosystem I from the High-Light Tolerant Cyanobacteria Cyanobacterium Aponinum
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Dobson, Z, Toporik, H, Vaughn, N, Lin, S, Williams, D, Fromme, P, Mazor, Y.
登録日2020-02-04
公開日2021-08-04
最終更新日2021-09-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The structure of photosystem I from a high-light tolerant Cyanobacteria.
Elife, 10, 2021
8A4W
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BU of 8a4w by Molmil
Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV
分子名称: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
1T4T
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BU of 1t4t by Molmil
arginase-dinor-NOHA complex
分子名称: 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE, Arginase 1, MANGANESE (II) ION
著者Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W.
登録日2004-04-30
公開日2005-04-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitor coordination interactions in the binuclear manganese cluster of arginase
Biochemistry, 43, 2004
6Q9T
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Protein-aromatic foldamer complex crystal structure
分子名称: 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid, 6-(aminomethyl)pyridine-2-carboxylic acid, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, ...
著者Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I.
登録日2018-12-18
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.
Chemistry, 25, 2019
2IOH
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BU of 2ioh by Molmil
Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase
著者Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E.
登録日2006-10-10
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
4RJV
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Crystal Structure of a De Novo Designed Ferredoxin Fold, Northeast Structural Genomics Consortium (NESG) Target OR461
分子名称: OR461
著者O'Connell, P.T, Lin, Y.-R, Guan, R, Koga, N, Koga, R, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2014-10-09
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Northeast Structural Genomics Consortium Target OR461
To be published
4RN2
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Crystal structure of S39D HDAC8 in complex with a largazole analogue.
分子名称: (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, Histone deacetylase 8, POTASSIUM ION, ...
著者Decroos, C, Christianson, D.W.
登録日2014-10-22
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
1TKY
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Crystal structure of the editing domain of threonyl-tRNA synthetase complexed with seryl-3'-aminoadenosine
分子名称: SERINE-3'-AMINOADENOSINE, Threonyl-tRNA synthetase
著者Dock-Bregeon, A.C, Rees, B, Torres-Larios, A, Bey, G, Caillet, J, Moras, D.
登録日2004-06-09
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Achieving Error-Free Translation; The Mechanism of Proofreading of Threonyl-tRNA Synthetase at Atomic Resolution.
Mol.Cell, 16, 2004
4RTD
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Escherichia coli alpha-2-macroglobulin activated by porcine elastase
分子名称: Uncharacterized lipoprotein YfhM
著者Fyfe, C.D, Grinter, R, Roszak, A.W, Josts, I, Cogdell, R.J, Walker, D.
登録日2014-11-14
公開日2015-07-15
最終更新日2015-07-29
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structure of protease-cleaved Escherichia coli alpha-2-macroglobulin reveals a putative mechanism of conformational activation for protease entrapment.
Acta Crystallogr.,Sect.D, 71, 2015
4RX0
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Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2014-12-08
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
4RV2
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Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium smegmatis
分子名称: MaoC family protein, SULFATE ION, UPF0336 protein MSMEG_1340/MSMEI_1302
著者Biswas, R, Hazra, D, Dutta, D, Das, A.K.
登録日2014-11-24
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of dehydratase component HadAB complex of mycobacterial FAS-II pathway.
Biochem.Biophys.Res.Commun., 458, 2015
1SZU
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The structure of gamma-aminobutyrate aminotransferase mutant: V241A
分子名称: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ...
著者Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D.
登録日2004-04-06
公開日2005-03-01
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase.
Biochemistry, 44, 2005

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