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PDB: 88608 件

6W42
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HIV Integrase core domain in complex with inhibitor 2-(5-methyl-2-(2-(thiophen-2-yl)ethynyl)-1-benzofuran-3-yl)acetic acid
分子名称: 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid, HIV Integrase catalytic domain, IODIDE ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-03-09
公開日2021-03-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献HIV Integrase core domain in complex with inhibitor (5-methyl-1-benzofuran-3-yl)acetic acid
To Be Published
4REV
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Structure of the dirigent protein DRR206
分子名称: 2,3-DIMETHYLIMIDAZOLIUM ION, CHLORIDE ION, Disease resistance response protein 206, ...
著者Kim, K.-Y, Smith, C.A, Merkley, E.D, Cort, J.R, Davin, L.B, Lewis, N.G.
登録日2014-09-24
公開日2014-11-26
最終更新日2015-02-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Trimeric Structure of (+)-Pinoresinol-forming Dirigent Protein at 1.95 angstrom Resolution with Three Isolated Active Sites.
J.Biol.Chem., 290, 2015
7T38
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Inactivated state of 2-APB and CBD-bound wildtype rat TRPV2 in nanodiscs
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y.
登録日2021-12-07
公開日2022-05-04
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into TRPV2 activation by small molecules.
Nat Commun, 13, 2022
7TBE
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Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ...
著者Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F.
登録日2021-12-21
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
4RFL
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Crystal structure of G1PDH with NADPH from Methanocaldococcus jannaschii
分子名称: 1,2-ETHANEDIOL, Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J.
登録日2014-09-26
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
5KQR
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BU of 5kqr by Molmil
Structure of NS5 methyltransferase from Zika virus bound to S-adenosylmethionine
分子名称: CHLORIDE ION, Methyltransferase, PHOSPHATE ION, ...
著者Jain, R, Coloma, J, Rajashankar, K.R, Aggarwal, A.K.
登録日2016-07-06
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.331 Å)
主引用文献Structures of NS5 Methyltransferase from Zika Virus.
Cell Rep, 16, 2016
3EPO
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Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P
分子名称: (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, Thiamine biosynthesis protein thiC
著者Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E.
登録日2008-09-29
公開日2008-10-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
Nat.Chem.Biol., 4, 2008
7T37
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Activated state of 2-APB and CBD-bound wildtype rat TRPV2 in nanodiscs
分子名称: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2, cannabidiol
著者Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y.
登録日2021-12-07
公開日2022-05-04
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural insights into TRPV2 activation by small molecules.
Nat Commun, 13, 2022
1TC2
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TERNARY SUBSTRATE COMPLEX OF THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, MAGNESIUM ION, ...
著者Focia, P.J, Craig III, S.P, Eakin, A.E.
登録日1998-11-04
公開日2000-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Approaching the transition state in the crystal structure of a phosphoribosyltransferase.
Biochemistry, 37, 1998
7T9Z
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Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0
分子名称: Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
著者Butrin, A, Liu, D.
登録日2021-12-20
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
2IWD
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BU of 2iwd by Molmil
Oxacilloyl-acylated MecR1 extracellular antibiotic-sensor domain.
分子名称: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Methicillin resistance mecR1 protein
著者Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X.
登録日2006-06-27
公開日2006-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
6PV7
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Human alpha3beta4 nicotinic acetylcholine receptor in complex with nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Gharpure, A, Teng, J, Zhuang, Y, Noviello, C.M, Walsh, R.M, Cabuco, R, Howard, R.J, Zaveri, N.T, Lindahl, E, Hibbs, R.E.
登録日2019-07-19
公開日2019-09-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Agonist Selectivity and Ion Permeation in the alpha 3 beta 4 Ganglionic Nicotinic Receptor.
Neuron, 104, 2019
6PVN
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Cryo-EM structure of mouse TRPV3-Y564A in putative sensitized state at 4 degrees Celsius
分子名称: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
著者Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
登録日2019-07-21
公開日2019-10-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
6J7O
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BU of 6j7o by Molmil
Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
4R1V
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BU of 4r1v by Molmil
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors
分子名称: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
著者Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O.
登録日2014-08-07
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1T9K
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X-ray crystal structure of aIF-2B alpha subunit-related translation initiation factor [Thermotoga maritima]
分子名称: CHLORIDE ION, Probable methylthioribose-1-phosphate isomerase, SULFATE ION
著者Osipiuk, J, Skarina, T, Savchenko, A, Edwards, A, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-05-17
公開日2004-06-08
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray crystal structure of aIF-2B translation initiation factor from Thermotoga maritima
To be Published
4R23
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Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin
分子名称: (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ...
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-08
公開日2014-09-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin
To be Published
7TBD
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BU of 7tbd by Molmil
Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382
分子名称: (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F.
登録日2021-12-21
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
3ZSG
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BU of 3zsg by Molmil
X-ray structure of p38alpha bound to TAK-715
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside
著者Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A.
登録日2011-06-28
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
1TC6
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Ligand Induced Conformational Shift in the N-terminal Domain of GRP94, Open Conformation ADP-Complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ...
著者Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L.
登録日2004-05-20
公開日2004-08-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
4R3S
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Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 11-23
分子名称: FV FRAGMENT(MAB6D8) HEAVY CHAIN, FV FRAGMENT(MAB6D8) LIGHT CHAIN, Merozoite surface protein
著者Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
登録日2014-08-18
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate
Sci Rep, 5, 2015
4RH7
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Crystal structure of human cytoplasmic dynein 2 motor domain in complex with ADP.Vi
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, ...
著者Schmidt, H, Zalyte, R, Urnavicius, L, Carter, A.P.
登録日2014-10-01
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Structure of human cytoplasmic dynein-2 primed for its power stroke.
Nature, 518, 2015
6J8M
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Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Ueno, G, Shimada, A, Yamashita, E, Hasegawa, K, Kumasaka, T, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T, Yamamoto, M.
登録日2019-01-20
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays.
J.Synchrotron Radiat., 26, 2019
4R54
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Complex crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with 3-carboxy-ethyl-phthalic acid
分子名称: 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ...
著者Pavlovsky, A.G, Viola, R.E.
登録日2014-08-20
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
3ENA
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BU of 3ena by Molmil
Crystal structure of the mimivirus NDK +Kpn-N62L-R107G triple mutant complexed with dGDP
分子名称: 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
著者Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C.
登録日2008-09-25
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009

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