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7KYT
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The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.35 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-12-08
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and benzimidazole (BZI) at the enzyme beta-site at 1.35 Angstrom resolution.
To be Published
7L03
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BU of 7l03 by Molmil
The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.60 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-12-11
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and sodium ion at the metal coordination site at 1.60 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site.
To be Published
7L1H
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BU of 7l1h by Molmil
The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.50 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2020-12-14
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.50 Angstrom resolution. Three water molecules are close to the amynoacrylate at the enzyme beta-site
To be Published
7LEV
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The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with ammonium ion at the metal coordination site at 1.70 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, AMMONIUM ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with ammonium ion at the metal coordination site at 1.70 Angstrom resolution.
To be Published
7LGX
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BU of 7lgx by Molmil
The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-01-21
公開日2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The aminoacrylate form of mutant beta-K167T Salmonella typhimurium Tryptophan Synthase in complex with with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, benzimidazole (BZI) at the enzyme beta site and cesium ion at the metal coordination site at 1.80 Angstrom resolution.
To be Published
1ESL
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INSIGHT INTO E-SELECTIN(SLASH)LIGAND INTERACTION FROM THE CRYSTAL STRUCTURE AND MUTAGENESIS OF THE LEC(SLASH)EGF DOMAINS
分子名称: CALCIUM ION, CHLORIDE ION, HUMAN E-SELECTIN
著者Graves, B.J, Crowther, R.L.
登録日1994-06-03
公開日1994-08-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into E-selectin/ligand interaction from the crystal structure and mutagenesis of the lec/EGF domains.
Nature, 367, 1994
7MBV
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Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium and 0.5 mM NDNA
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-07-07
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
5VWR
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E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)-alpha-ketoglutarate
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, Aspartate aminotransferase, GLYCEROL
著者Mascarenhas, R, Liu, D, Le, H, Silverman, R.
登録日2017-05-22
公開日2017-09-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
7LXJ
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Bacillus cereus DNA glycosylase AlkD bound to a duocarmycin SA-adenine nucleobase adduct and DNA containing an abasic site
分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*CP*AP*AP*(ORP)P*GP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*CP*TP*TP*TP*GP*C)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2021-03-03
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural evolution of a DNA repair self-resistance mechanism targeting genotoxic secondary metabolites.
Nat Commun, 12, 2021
7LT4
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BU of 7lt4 by Molmil
The aminoacrylate form of the beta-K167T mutant Tryptophan Synthase at 1.80 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-02-18
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The aminoacrylate form of the beta-K167T mutant Tryptophan Synthase at 1.80 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
To be Published
3GHQ
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BU of 3ghq by Molmil
Crystal Structure of E. coli W35F BFR mutant
分子名称: Bacterioferritin, FE (III) ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Crow, A, Lawson, T.L, Lewin, A, Moore, G.R, Le Brun, N.E.
登録日2009-03-04
公開日2009-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Monitoring the iron status of the ferroxidase center of Escherichia coli bacterioferritin using fluorescence spectroscopy.
Biochemistry, 48, 2009
7L4L
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BU of 7l4l by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ...
著者Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P.
登録日2020-12-19
公開日2021-09-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases
Acs Catalysis, 11, 2021
7B9H
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Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a
分子名称: 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ...
著者Torretta, A, Abbate, S, Parisini, E.
登録日2020-12-14
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
1ZL6
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Crystal structure of Tyr350Ala mutant of Clostridium botulinum neurotoxin E catalytic domain
分子名称: SULFATE ION, ZINC ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-05
公開日2005-06-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005
4Z3N
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Crystal structure of the MATE transporter ClbM
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CACODYLATE ION, Putative drug/sodium antiporter
著者Mousa, J.J, Bruner, S.D.
登録日2015-03-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献MATE transport of the E. coli-derived genotoxin colibactin.
Nat Microbiol, 1, 2016
1EZF
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CRYSTAL STRUCTURE OF HUMAN SQUALENE SYNTHASE
分子名称: FARNESYL-DIPHOSPHATE FARNESYLTRANSFERASE, N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID
著者Pandit, J, Danley, D.E, Schulte, G.K, Mazzalupo, S.M, Pauly, T.A, Hayward, C.M, Hamanaka, E.S, Thompson, J.F, Harwood, H.J.
登録日2000-05-10
公開日2000-10-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of human squalene synthase. A key enzyme in cholesterol biosynthesis.
J.Biol.Chem., 275, 2000
1F00
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CRYSTAL STRUCTURE OF C-TERMINAL 282-RESIDUE FRAGMENT OF ENTEROPATHOGENIC E. COLI INTIMIN
分子名称: INTIMIN
著者Luo, Y, Frey, E.A, Pfuetzner, R.A, Creagh, A.L, Knoechel, D.G, Haynes, C.A, Finlay, B.B, Strynadka, N.C.J.
登録日2000-05-12
公開日2000-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of enteropathogenic Escherichia coli intimin-receptor complex.
Nature, 405, 2000
4O4R
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Murine Norovirus RdRp in complex with PPNDS
分子名称: 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, RNA-dependent-RNA-polymerase, SULFATE ION
著者Croci, R, Tarantino, D, Milani, M, Pezzullo, M, Bolognesi, M, Mastrangelo, E.
登録日2013-12-19
公開日2014-11-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献PPNDS inhibits murine Norovirus RNA-dependent RNA-polymerase mimicking two RNA stacking bases.
Febs Lett., 588, 2014
1ZL5
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Crystal structure of Glu335Gln mutant of Clostridium botulinum neurotoxin E catalytic domain
分子名称: CHLORIDE ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-05
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005
7BH2
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Cryo-EM Structure of KdpFABC in E2Pi state with BeF3 and K+
分子名称: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Sweet, M.E, Larsen, C, Pedersen, B.P, Stokes, D.L.
登録日2021-01-09
公開日2021-01-27
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for potassium transport in prokaryotes by KdpFABC.
Proc.Natl.Acad.Sci.USA, 118, 2021
1GOS
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Human Monoamine Oxidase B
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE, N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM
著者Binda, C, Newton-Vinson, P, Hubalek, F, Edmondson, D.E, Mattevi, A.
登録日2001-10-26
公開日2001-11-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Human Monoamine Oxidase B, a Drug Target for the Treatment of Neurological Disorders
Nat.Struct.Biol., 9, 2001
1ZKW
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Crystal structure of Arg347Ala mutant of botulinum neurotoxin E catalytic domain
分子名称: CHLORIDE ION, ZINC ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-04
公開日2005-06-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005
1Z9H
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Microsomal prostaglandin E synthase type-2
分子名称: ACETATE ION, CHLORIDE ION, INDOMETHACIN, ...
著者Yamada, T, Komoto, J, Watanabe, K, Ohmiya, Y, Takusagawa, F.
登録日2005-04-02
公開日2005-05-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure and Possible Catalytic Mechanism of Microsomal Prostaglandin E Synthase Type 2 (mPGES-2).
J.Mol.Biol., 348, 2005
5AQ6
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Structure of E. coli ZinT at 1.79 Angstrom
分子名称: ACETIC ACID, METAL-BINDING PROTEIN ZINT, ZINC ION
著者Santo, P.E, Colaco, H.G, Matias, P, Vicente, J.B, Bandeiras, T.M.
登録日2015-09-21
公開日2016-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Roles of Escherichia Coli Zint in Cobalt, Mercury and Cadmium Resistance and Structural Insights Into the Metal Binding Mechanism
Metallomics, 8, 2016
1ZKX
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Crystal structure of Glu158Ala/Thr159Ala/Asn160Ala- a triple mutant of Clostridium botulinum neurotoxin E catalytic domain
分子名称: CHLORIDE ION, ZINC ION, botulinum neurotoxin type E
著者Agarwal, R, Binz, T, Swaminathan, S.
登録日2005-05-04
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Analysis of Active Site Residues of Botulinum Neurotoxin E by Mutational, Functional, and Structural Studies: Glu335Gln Is an Apoenzyme.
Biochemistry, 44, 2005

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