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3UV3
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BU of 3uv3 by Molmil
Ec_IspH in complex with but-2-ynyl diphosphate (1086)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-29
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
4BKU
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BU of 4bku by Molmil
Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
著者Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C.
登録日2013-04-29
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
8BQS
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BU of 8bqs by Molmil
Cryo-EM structure of the I-II-III2-IV2 respiratory supercomplex from Tetrahymena thermophila
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ...
著者Muhleip, A, Kock Flygaard, R, Baradaran, R, Amunts, A.
登録日2022-11-21
公開日2023-08-23
最終更新日2025-02-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex.
Nature, 615, 2023
4BIO
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BU of 4bio by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH 8-HYDROXYQUINOLINE-5- CARBOXYLIC ACID
分子名称: 8-hydroxyquinoline-5-carboxylic acid, FE (III) ION, GLYCEROL, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-04-12
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
4CCK
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BU of 4cck by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II) and N-oxalylglycine (NOG)
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, MANGANESE (II) ION, ...
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CCJ
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BU of 4ccj by Molmil
60S ribosomal protein L8 histidine hydroxylase (NO66) in apo form
分子名称: 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66
著者Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J.
登録日2013-10-23
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
7GIX
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BU of 7gix by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with VLA-UNK-cf7facf1-1 (Mpro-P0143)
分子名称: (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
分子名称: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Jordan, S.R, Li, V.
登録日2007-09-18
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2GQX
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BU of 2gqx by Molmil
Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene
分子名称: 1,2,3,4,5-PENTACHLOROBENZENE, Cytochrome P450-cam, POTASSIUM ION, ...
著者Rao, Z, Wong, L.L, Xu, F, Bell, S.G.
登録日2006-04-22
公開日2007-04-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-activity correlations in pentachlorobenzene oxidation by engineered cytochrome P450cam
Protein Eng.Des.Sel., 20, 2007
6C49
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BU of 6c49 by Molmil
Crystal Structure of Alcohol Dehydrogenase from Acinetobacter baumannii
分子名称: 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-01-11
公開日2018-01-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Alcohol Dehydrogenase from Acinetobacter baumannii
To be Published
5GLY
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BU of 5gly by Molmil
Crystal structure of a glycoside hydrolase in complex with cellotetrose from Thielavia terrestris NRRL 8126
分子名称: Glycoside hydrolase family 45 protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Gao, J, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-07-12
公開日2017-04-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Characterization and crystal structure of a thermostable glycoside hydrolase family 45 1,4-beta-endoglucanase from Thielavia terrestris
Enzyme Microb. Technol., 99, 2017
3ESS
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BU of 3ess by Molmil
Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with the 1,8-Naphthalimide inhibitor
分子名称: 1H-benzo[de]isoquinoline-1,3(2H)-dione, Cholix toxin
著者Merrill, A.R, Jorgensen, R.
登録日2008-10-06
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.191 Å)
主引用文献Yeast as a tool for characterizing mono-ADP-ribosyltransferase toxins
Fems Microbiol.Lett., 300, 2009
1ZKP
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BU of 1zkp by Molmil
1.5A Resolution Crystal Structure of a Metallo Beta Lactamase Family Protein, the ELAC Homolgue of Bacillus anthracis, a Putative Ribonuclease
分子名称: CHLORIDE ION, SODIUM ION, ZINC ION, ...
著者Brunzelle, J.S, Minasov, G, Shuvalova, L, Collart, F.R, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2005-05-03
公開日2005-06-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献1.5A Resolution Crystal Structure of a Metallo Beta Lactamase Family Protein, the ELAC Homolgue of Bacillus anthracis, a Putative Ribonuclease
To be Published
7Z7T
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BU of 7z7t by Molmil
Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Open state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ...
著者Kravchuk, V, Kampjut, D, Sazanov, L.
登録日2022-03-16
公開日2022-09-21
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
7Z83
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BU of 7z83 by Molmil
Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Open state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ...
著者Kravchuk, V, Kampjut, D, Sazanov, L.
登録日2022-03-16
公開日2022-09-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
7ZC5
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BU of 7zc5 by Molmil
Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Resting state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ...
著者Kravchuk, V, Kampjut, D, Sazanov, L.
登録日2022-03-25
公開日2022-09-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
1ZOX
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BU of 1zox by Molmil
CLM-1 Mouse Myeloid Receptor Extracellular Domain
分子名称: CLM-1
著者Nelson, C.N, Burton, R.L, Fremont, D.H, Midwest Center for Structural Genomics (MCSG)
登録日2005-05-15
公開日2005-05-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Mouse CLM-1 Ectodomain
To be Published
1DSE
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BU of 1dse by Molmil
CYTOCHROME C PEROXIDASE H175G MUTANT, IMIDAZOLE COMPLEX, WITH PHOSPHATE BOUND, PH 6, 100K
分子名称: CYTOCHROME C PEROXIDASE, IMIDAZOLE, PHOSPHATE ION, ...
著者Hirst, J, Wilcox, S.K, Williams, P.A, McRee, D.E, Goodin, D.B.
登録日2000-01-07
公開日2001-03-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
Biochemistry, 40, 2001
7Z84
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BU of 7z84 by Molmil
Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Open-ready state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ...
著者Kravchuk, V, Kampjut, D, Sazanov, L.
登録日2022-03-16
公開日2022-09-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
3URK
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BU of 3urk by Molmil
IspH in complex with propynyl diphosphate (1061)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-22
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
7Z80
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BU of 7z80 by Molmil
Complex I from E. coli, DDM/LMNG-purified, under Turnover at pH 8, Closed state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, ...
著者Kravchuk, V, Kampjut, D, Sazanov, L.
登録日2022-03-16
公開日2022-09-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
7Z3E
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BU of 7z3e by Molmil
XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with hydroquinone NrdI from Bacillus cereus
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, MANGANESE (II) ION, Protein NrdI, ...
著者John, J, Lebrette, H, Aurelius, O, Hogbom, M.
登録日2022-03-02
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography.
Elife, 11, 2022
7Z7V
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BU of 7z7v by Molmil
Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Open-ready state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ...
著者Kravchuk, V, Kampjut, D, Sazanov, L.
登録日2022-03-16
公開日2022-09-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
7Z7R
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BU of 7z7r by Molmil
Complex I from E. coli, LMNG-purified, Apo, Open-ready state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, EICOSANE, ...
著者Kravchuk, V, Kampjut, D, Sazanov, L.
登録日2022-03-16
公開日2022-09-21
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022
7ZCI
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BU of 7zci by Molmil
Complex I from E. coli, LMNG-purified, under Turnover at pH 6, Resting state
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CALCIUM ION, ...
著者Kravchuk, V, Kampjut, D, Sazanov, L.
登録日2022-03-28
公開日2022-09-21
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献A universal coupling mechanism of respiratory complex I.
Nature, 609, 2022

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