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7QSK
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BU of 7qsk by Molmil
Bovine complex I in lipid nanodisc, Active-Q10
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
7QSO
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BU of 7qso by Molmil
Bovine complex I in lipid nanodisc, State 3 (Slack)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
7QSM
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BU of 7qsm by Molmil
Bovine complex I in lipid nanodisc, Deactive-ligand (composite)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
7QSN
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BU of 7qsn by Molmil
Bovine complex I in lipid nanodisc, Deactive-apo
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Chung, I, Bridges, H.R, Hirst, J.
登録日2022-01-13
公開日2022-05-25
最終更新日2022-09-28
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
5NX2
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BU of 5nx2 by Molmil
Crystal structure of thermostabilised full-length GLP-1R in complex with a truncated peptide agonist at 3.7 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon-like peptide 1 receptor, ...
著者Rappas, M, Jazayeri, A, Brown, A.J.H, Kean, J, Errey, J.C, Robertson, N, Fiez-Vandal, C, Andrews, S.P, Congreve, M, Bortolato, A, Mason, J.S, Baig, A.H, Teobald, I, Dore, A.S, Weir, M, Cooke, R.M, Marshall, F.H.
登録日2017-05-09
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structure of the GLP-1 receptor bound to a peptide agonist.
Nature, 546, 2017
6MDY
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BU of 6mdy by Molmil
Crystal structure of a 2-dehydro-3-deoxyphosphooctonate aldolase from Legionella pneumophila Philadelphia 1
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-09-05
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of a 2-dehydro-3-deoxyphosphooctonate aldolase from Legionella pneumophila Philadelphia 1
To Be Published
9FZ3
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BU of 9fz3 by Molmil
Crystal structure of K38 amylase from Bacillus sp. strain KSM-K38 covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe
分子名称: (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Amylase, ...
著者Pickles, I.B, Moroz, O, Davies, G.
登録日2024-07-04
公開日2024-12-11
最終更新日2025-02-05
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Precision Activity-Based alpha-Amylase Probes for Dissection and Annotation of Linear and Branched-Chain Starch-Degrading Enzymes.
Angew.Chem.Int.Ed.Engl., 64, 2025
5ORB
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BU of 5orb by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 30
分子名称: 1,2-ETHANEDIOL, 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A.
登録日2017-08-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
5IN2
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BU of 5in2 by Molmil
Crystal structure of extra cellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
分子名称: AZIDE ION, CHLORIDE ION, COPPER (II) ION, ...
著者Moustafa, A, Betzel, C, Perbandt, M.
登録日2016-03-07
公開日2017-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of extracellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
To Be Published
1O9B
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BU of 1o9b by Molmil
QUINATE/SHIKIMATE DEHYDROGENASE YDIB COMPLEXED WITH NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, HYPOTHETICAL SHIKIMATE 5-DEHYDROGENASE-LIKE PROTEIN YDIB, PHOSPHATE ION
著者Michel, G, Cygler, M.
登録日2002-12-12
公開日2003-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Shikimate Dehydrogenase Aroe and its Paralog Ydib: A Common Structural Framework for Different Activities
J.Biol.Chem., 278, 2003
5ED7
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BU of 5ed7 by Molmil
Crystal Structure of HSV-1 UL21 C-terminal Domain
分子名称: CHLORIDE ION, Tegument protein UL21
著者Metrick, C.M, Heldwein, E.E.
登録日2015-10-20
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Novel Structure and Unexpected RNA-Binding Ability of the C-Terminal Domain of Herpes Simplex Virus 1 Tegument Protein UL21.
J.Virol., 90, 2016
5A03
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BU of 5a03 by Molmil
Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with xylose
分子名称: 1,4-DIETHYLENE DIOXIDE, ALDOSE-ALDOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Taberman, H, Rouvinen, J, Parkkinen, T.
登録日2015-04-17
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Structure and Function of Caulobacter Crescentus Aldose-Aldose Oxidoreductase.
Biochem.J., 472, 2015
5DTW
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BU of 5dtw by Molmil
Crystal structure of M. tuberculosis EchA6 bound to C20-CoA
分子名称: Arachinoyl-CoA, enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.439 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5AML
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BU of 5aml by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
分子名称: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
著者Leitans, J, Tars, K, Zalubovskis, R.
登録日2015-03-10
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5ZIN
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BU of 5zin by Molmil
Crystal structure of bacteriorhodopsin at 1.27 A resolution
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, RETINAL
著者Hasegawa, N, Jonotsuka, H, Miki, K, Takeda, K.
登録日2018-03-16
公開日2018-10-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献X-ray structure analysis of bacteriorhodopsin at 1.3 angstrom resolution.
Sci Rep, 8, 2018
5FED
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BU of 5fed by Molmil
EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
3E2C
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BU of 3e2c by Molmil
Escherichia coli Bacterioferritin Mutant E128R/E135R
分子名称: 1,2-ETHANEDIOL, Bacterioferritin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wong, S.G, Tom-Yew, S.A.L, Lewin, A, Le Brun, N.E, Moore, G.R, Murphy, M.E.P, Mauk, A.G.
登録日2008-08-05
公開日2009-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Mechanistic Studies of a Stabilized Subunit Dimer Variant of Escherichia coli Bacterioferritin Identify Residues Required for Core Formation.
J.Biol.Chem., 284, 2009
6TM3
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BU of 6tm3 by Molmil
Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in a close conformation containing NADP+ and methylene-H4MPT
分子名称: 1,2-ETHANEDIOL, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, ...
著者Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S.
登録日2019-12-03
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
5THS
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BU of 5ths by Molmil
Crystal Structure of G302A HDAC8 in complex with M344
分子名称: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
著者Porter, N.J, Christianson, D.W.
登録日2016-09-30
公開日2016-12-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
4YU8
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BU of 4yu8 by Molmil
Crystal structure of Neuroblastoma suppressor of tumorigenicity 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Neuroblastoma suppressor of tumorigenicity 1
著者Ren, J, Nettleship, J.E, Stammers, D.K, Owens, R.J, Oxford Protein Production Facility (OPPF)
登録日2015-03-18
公開日2015-03-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Neuroblastoma suppressor of tumorigenicity 1
To Be Published
7YRO
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BU of 7yro by Molmil
Crystal structure of mango fucosyltransferase 13
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Fucosyltransferase, ...
著者Okada, T, Teramoto, T, Ihara, H, Ikeda, Y, Kakuta, Y.
登録日2022-08-10
公開日2023-08-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of mango alpha 1,3/ alpha 1,4-fucosyltransferase elucidates unique elements that regulate Lewis A-dominant oligosaccharide assembly.
Glycobiology, 34, 2024
5O1J
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BU of 5o1j by Molmil
Lytic transglycosylase in action
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-1,6-anhydro-N-acetyl-beta-D-glucopyranosamine, Putative soluble lytic murein transglycosylase, ZINC ION
著者Williams, A.H, Rateau, L, Hoauz, A, Boneca, I.G.
登録日2017-05-18
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A step-by-stepin crystalloguide to bond cleavage and 1,6-anhydro-sugar product synthesis by a peptidoglycan-degrading lytic transglycosylase.
J. Biol. Chem., 293, 2018
5FEE
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BU of 5fee by Molmil
EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
6A9W
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BU of 6a9w by Molmil
Structure of the bifunctional DNA primase-polymerase from phage NrS-1
分子名称: Primase
著者Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H.
登録日2018-07-16
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1.
Biochem. Biophys. Res. Commun., 510, 2019
6T98
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BU of 6t98 by Molmil
Trypanothione Reductase from Leishmania infantum in complex with 9a
分子名称: 4-[3-methyl-1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-3-ium-4-yl]butan-1-amine, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Carriles, A.A, Hermoso, J.A.
登録日2019-10-26
公開日2020-11-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity.
Eur.J.Med.Chem., 244, 2022

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件を2025-10-15に公開中

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