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3BFB
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Crystal structure of a pheromone binding protein from Apis mellifera in complex with the 9-keto-2(E)-decenoic acid
分子名称: (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ...
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2007-11-21
公開日2008-06-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
3ZDB
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BU of 3zdb by Molmil
Structure of E. coli ExoIX in complex with the palindromic 5ov4 DNA oligonucleotide, di-magnesium and potassium
分子名称: 5OV4 DNA, 5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*CP)-3', ACETATE ION, ...
著者Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
登録日2012-11-26
公開日2013-07-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
3GLZ
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BU of 3glz by Molmil
Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11)
分子名称: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-12
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Plos One, 4, 2009
3GS7
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Human transthyretin (TTR) complexed with (E)-3-(2-methoxybenzylideneaminooxy)propanoic acid (inhibitor 13)
分子名称: 3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-26
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis.
Plos One, 4, 2009
3VUB
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BU of 3vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM E. COLI
分子名称: CCDB, CHLORIDE ION
著者Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
登録日1998-04-17
公開日1998-06-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
4HJS
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BU of 4hjs by Molmil
Kinetic stabilization of transthyretin through covalent modification of K15 by (E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)ethanesulfonamide
分子名称: N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethanesulfonamide, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2012-10-14
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis.
J.Am.Chem.Soc., 135, 2013
4HN4
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Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site
分子名称: 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, BICINE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-18
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
4HJT
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Kinetic stabilization of transthyretin through covalent modification of K15 by (E)-N-(4-(4-hydroxy-3,5-dimethylstyryl)phenyl)propionamide
分子名称: N-{4-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}propanamide, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2012-10-14
公開日2013-12-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Stilbene vinyl sulfonamides as fluorogenic sensors of and traceless covalent kinetic stabilizers of transthyretin that prevent amyloidogenesis.
J.Am.Chem.Soc., 135, 2013
4HN7
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Crystal structure of E. coli PmrD
分子名称: Signal transduction protein pmrD
著者Jeong, E, Jung, H, Ban, C.
登録日2012-10-19
公開日2013-10-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献Crystal structure of E. coli PmrD
To be Published
4H2L
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Deer mouse hemoglobin in hydrated format
分子名称: Alpha-globin, Beta globin, PROTOPORPHYRIN IX CONTAINING FE
著者Inoguchi, N, Oshlo, J.R, Natarajan, C, Weber, R.E, Fago, A, Storz, J.F, Moriyama, H.
登録日2012-09-12
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Deer mouse hemoglobin exhibits a lowered oxygen affinity owing to mobility of the E helix.
Acta Crystallogr.,Sect.F, 69, 2013
4FXE
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BU of 4fxe by Molmil
Crystal structure of the intact E. coli RelBE toxin-antitoxin complex
分子名称: Antitoxin RelB, SULFATE ION, mRNA interferase RelE
著者Brodersen, D.E, Boggild, A, Sofos, N.
登録日2012-07-03
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7503 Å)
主引用文献The crystal structure of the intact E. coli RelBE toxin-antitoxin complex provides the structural basis for conditional cooperativity.
Structure, 20, 2012
4HPX
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BU of 4hpx by Molmil
Crystal structure of Tryptophan Synthase at 1.65 A resolution in complex with alpha aminoacrylate E(A-A) and benzimidazole in the beta site and the F9 inhibitor in the alpha site
分子名称: 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, BENZIMIDAZOLE, ...
著者Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2012-10-24
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
6HWU
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BU of 6hwu by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6HWV
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BU of 6hwv by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azoimidazol-based Inhibitor (compound 3)
分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Mueller, M.P, Rauh, D.
登録日2018-10-15
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
4XYC
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BU of 4xyc by Molmil
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
分子名称: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1
著者Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E.
登録日2015-02-02
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
4Y4N
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Thiazole synthase Thi4 from Methanococcus igneus
分子名称: 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (II) ION, Putative ribose 1,5-bisphosphate isomerase
著者Zhang, X, Ealick, S.E.
登録日2015-02-10
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Iron-Mediated Sulfur Transfer in Archael and Yeast Thiazole Synthases.
Biochemistry, 55, 2016
7QP5
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BU of 7qp5 by Molmil
Crystal Structure of E. coli FhuF
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferric iron reductase protein FhuF
著者Trindade, I.B, Rollo, F, Matias, P.M, Moe, E, Louro, R.O.
登録日2022-01-03
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The structure of a novel ferredoxin: FhuF, a ferric-siderophore reductase from E. coli K-12 with a novel 2Fe-2S cluster coordination
Biorxiv, 2023
7UIE
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BU of 7uie by Molmil
Crystal structure of HcE-JLE-G6
分子名称: Botulinum neurotoxin E heavy chain, JLE-G6
著者Jin, R, Lam, K.
登録日2022-03-29
公開日2023-04-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
6GF3
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BU of 6gf3 by Molmil
Tubulin-Jerantinine B acetate complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Smedley, C.J, Stanley, P.A, Qazzaz, M.E, Prota, A.E, Olieric, N, Collins, H, Eastman, H, Barrow, A.S, Lim, K.-H, Kam, T.-S, Smith, B.J, Duivenvoorden, H.M, Parker, B.S, Bradshaw, T.D, Steinmetz, M.O, Moses, J.E.
登録日2018-04-29
公開日2019-05-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sustainable Syntheses of (-)-Jerantinines A & E and Structural Characterisation of the Jerantinine-Tubulin Complex at the Colchicine Binding Site.
Sci Rep, 8, 2018
5BQG
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Crystal Structure of mPGES-1 Bound to an Inhibitor
分子名称: 2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.436 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
5BQI
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Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
分子名称: (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
8V5L
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Structure of the Varicella Zoster Virus (VZV) gI binding domain of glycoprotein E (gE) in complex with human Fab 1A2 and 1E12
分子名称: Envelope glycoprotein E, Fab 1A2 Heavy Chain, Fab 1A2 Light Chain, ...
著者Seraj, N, Holzapfel, G, Harshbarger, W.
登録日2023-11-30
公開日2024-10-09
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structures of the Varicella Zoster Virus Glycoprotein E and Epitope Mapping of Vaccine-Elicited Antibodies
Vaccines (Basel), 12, 2024
5AMT
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BU of 5amt by Molmil
Intracellular growth locus protein E
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, IGLE
著者Robb, C.S, Nano, F.E, Boraston, A.B.
登録日2015-09-01
公開日2016-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Cloning, Expression, Purification, Crystallization and Preliminary X-Ray Diffraction Analysis of Intracellular Growth Locus E (Igle) Protein from Francisella Tularensis Subsp. Novicida.
Acta Crystallogr.,Sect.F, 66, 2010
5BQH
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Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
分子名称: (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ...
著者Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
登録日2015-05-29
公開日2016-04-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
7Y81
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CryoEM structure of type III-E CRISPR Craspase gRAMP-crRNA complex bound to non-self RNA target
分子名称: MAGNESIUM ION, Non-self RNA target, RAMP superfamily protein, ...
著者Zhang, J.T, Cui, N, Huang, H.D, Jia, N.
登録日2022-06-22
公開日2022-12-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Structural basis for the non-self RNA-activated protease activity of the type III-E CRISPR nuclease-protease Craspase.
Nat Commun, 13, 2022

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