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1QYW
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Crystal structure of human estrogenic 17beta-hydroxysteroid dehydrogenase complex with androstanedione and NADP
分子名称: 5ALPHA-ANDROSTAN-3,17-DIONE, Estradiol 17 beta-dehydrogenase 1, GLYCEROL, ...
著者Shi, R, Lin, S.X.
登録日2003-09-12
公開日2004-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Cofactor hydrogen bonding onto the protein main chain is conserved in the short chain dehydrogenase/reductase family and contributes to nicotinamide orientation.
J.Biol.Chem., 279, 2004
3D84
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BU of 3d84 by Molmil
Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex with the Potent and Selective Inhibitor 2.4-Diamino-6-(-2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine
分子名称: Dihydrofolate reductase, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2008-05-22
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
5YLV
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BU of 5ylv by Molmil
Crystal structure of the gastric proton pump complexed with SCH28080
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(2-methyl-8-phenylmethoxy-imidazo[1,2-a]pyridin-3-yl)ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Abe, K, Irie, K, Nakanishi, H, Fujiyoshi, Y.
登録日2017-10-19
公開日2018-04-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.79977775 Å)
主引用文献Crystal structures of the gastric proton pump
Nature, 556, 2018
5U3M
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BU of 5u3m by Molmil
Crystal Structure of DH511.11P Fab in Complex with HIV-1 gp41 MPER Peptide
分子名称: DH511.11P Fab Heavy Chain, DH511.11P Fab Light Chain, gp41 MPER peptide
著者Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
登録日2016-12-02
公開日2017-02-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.418 Å)
主引用文献Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
3CUS
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BU of 3cus by Molmil
Structure of a double ILE/PHE mutant of NI-FE hydrogenase refined at 2.2 angstrom resolution
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
著者Volbeda, A.
登録日2008-04-17
公開日2008-08-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Experimental approaches to kinetics of gas diffusion in hydrogenase
Proc.Natl.Acad.Sci.Usa, 105, 2008
5QC5
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BU of 5qc5 by Molmil
Crystal structure of human Cathepsin-S with bound ligand
分子名称: 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine, Cathepsin S
著者Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K.
登録日2017-08-04
公開日2017-12-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human Cathepsin-S with bound ligand
To be published
3W7Q
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BU of 3w7q by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-5-127
分子名称: 5-{2-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-5-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2013-03-02
公開日2014-03-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-5-127
To be Published
4FOK
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BU of 4fok by Molmil
1.8 A Crystal structure of the FimX EAL domain in complex with c-diGMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), FimX, GLYCEROL
著者Farah, C.S, Guzzo, C.R.
登録日2012-06-20
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the PilZ-FimXEAL-c-di-GMP Complex Responsible for the Regulation of Bacterial Type IV Pilus Biogenesis.
J.Mol.Biol., 425, 2013
1QO2
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BU of 1qo2 by Molmil
Crystal structure of N-((5'-phosphoribosyl)-formimino)-5-aminoimidazol-4-carboxamid ribonucleotid isomerase (EC 3.1.3.15, HisA)
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase
著者Wilmanns, M, Lang, D, Thoma, R, Sterner, R.
登録日1999-11-01
公開日2000-07-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Evidence for Evolution of the Beta/Alpha-Barrel Scaffold by Repeated Gene Duplication and Fusion
Science, 289, 2000
7JUZ
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BU of 7juz by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Selumetinib
分子名称: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, ...
著者Khan, Z.M, Dar, A.C.
登録日2020-08-20
公開日2020-09-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
1XME
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BU of 1xme by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus
分子名称: COPPER (II) ION, Cytochrome c oxidase polypeptide I, Cytochrome c oxidase polypeptide II, ...
著者Hunsicker-Wang, L.M, Pacoma, R.L, Chen, Y, Fee, J.A, Stout, C.D.
登録日2004-10-01
公開日2005-03-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A novel cryoprotection scheme for enhancing the diffraction of crystals of recombinant cytochrome ba3 oxidase from Thermus thermophilus.
Acta Crystallogr.,Sect.D, 61, 2005
1SV2
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BU of 1sv2 by Molmil
Crystal Structure of Peptide Deformylase from Leptospira Interrogans (LiPDF) at pH7.5
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, FORMIC ACID, Peptide deformylase, ...
著者Zhou, Z, Song, X, Li, Y, Gong, W.
登録日2004-03-27
公開日2005-08-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Novel conformational states of peptide deformylase from pathogenic bacterium Leptospira interrogans: implications for population shift
J.Biol.Chem., 280, 2005
3UO6
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BU of 3uo6 by Molmil
Aurora A in complex with YL5-083
分子名称: 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-16
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8002 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3UP2
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BU of 3up2 by Molmil
Aurora A in complex with RPM1686
分子名称: 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-17
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3001 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3UOD
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BU of 3uod by Molmil
Aurora A in complex with RPM1693
分子名称: 1,2-ETHANEDIOL, 4-[(4-{[2-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid, Aurora kinase A, ...
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-16
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5002 Å)
主引用文献A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
3UOF
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BU of 3uof by Molmil
Mycobacterium tuberculosis bacterioferritin, BfrA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterioferritin, FE (III) ION, ...
著者McMath, L.M, Goulding, C.W, TB Structural Genomics Consortium (TBSGC)
登録日2011-11-16
公開日2012-11-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Mycobacterium tuberculosis bacterioferritin, BfrA
To be Published
5SVP
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BU of 5svp by Molmil
Anomalous sulfur signal reveals the position of agonist 2-methylthio-ATP bound to the ATP-gated human P2X3 ion channel in the desensitized state
分子名称: 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E.
登録日2016-08-07
公開日2016-09-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.298 Å)
主引用文献X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
4H4I
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BU of 4h4i by Molmil
OYE1-W116V complexed with the dismutation product of (S)-carvone
分子名称: 2-methyl-5-(prop-1-en-2-yl)phenol, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Pompeu, Y.A, Stewart, J.D.
登録日2012-09-17
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献X-ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
3AN1
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BU of 3an1 by Molmil
Crystal structure of rat D428A mutant, urate bound form
分子名称: BICARBONATE ION, CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Okamoto, K, Kawaguchi, Y, Eger, B.T, Pai, E.F, Nishino, T.
登録日2010-08-27
公開日2010-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structures of Urate Bound Form of Xanthine Oxidoreductase: Substrate Orientation and Structure of the Key Reaction Intermediate
J.Am.Chem.Soc., 132, 2010
3EH5
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BU of 3eh5 by Molmil
Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus
分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A.
登録日2008-09-11
公開日2009-04-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
1QMV
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BU of 1qmv by Molmil
thioredoxin peroxidase B from red blood cells
分子名称: PEROXIREDOXIN-2
著者Isupov, M.N, Littlechild, J.A, Lebedev, A.A, Errington, N, Vagin, A.A, Schroder, E.
登録日1999-10-07
公開日2000-07-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Decameric 2-Cys Peroxiredoxin from Human Erythrocytes at 1.7 A Resolution.
Structure, 8, 2000
2CKO
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BU of 2cko by Molmil
Crystal structure of Human Choline Kinase alpha 2
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHOLINE KINASE ALPHA
著者Malito, E, Lavie, A.
登録日2006-04-20
公開日2006-10-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Elucidation of Human Choline Kinase Crystal Structures in Complex with the Products Adp or Phosphocholine.
J.Mol.Biol., 364, 2006
9F5X
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Structure of the Chlamydomonas reinhardtii respiratory supercomplex I1 III2 IV2
分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
著者Waltz, F, Righetto, R, Kotecha, A, Engel, B.D.
登録日2024-04-30
公開日2025-03-12
最終更新日2025-04-02
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献In-cell architecture of the mitochondrial respiratory chain.
Science, 387, 2025
4A5W
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Crystal structure of C5b6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C5, ...
著者Hadders, M.A, Bubeck, D, Forneris, F, Pangburn, M, Llorca, O, Lea, S.M, Gros, P.
登録日2011-10-28
公開日2012-03-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Assembly and Regulation of the Membrane Attack Complex Based on Structures of C5B6 and Sc5B9.
Cell Rep., 1, 2012
3UWK
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Structure Guided Development of Novel Thymidine Mimetics targeting Pseudomonas aeruginosa Thymidylate Kinase: from Hit to Lead Generation
分子名称: 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, MAGNESIUM ION, Thymidylate kinase
著者Choi, J.Y, Plummer, M.S, Starr, J, Desbonnet, C.R, Soutter, H.H, Chang, J, Miller, J.R, Dillman, K, Miller, A.A, Roush, W.R.
登録日2011-12-02
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure guided development of novel thymidine mimetics targeting Pseudomonas aeruginosa thymidylate kinase: from hit to lead generation.
J.Med.Chem., 55, 2012

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