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PDB: 23 件

3DAU
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Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bennett, B.C, Dealwis, C.G.
登録日2008-05-30
公開日2009-04-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
2QK8
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Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase
分子名称: Dihydrofolate reductase, METHOTREXATE
著者Bennett, B.C, Xu, H, Simmerman, R.F, Lee, R.E, Dealwis, C.G.
登録日2007-07-10
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the anthrax drug target, Bacillus anthracis dihydrofolate reductase.
J.Med.Chem., 50, 2007
3DAT
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Crystal structure of the ternary MTX NADPH complex of Bacillus anthracis dihydrofolate reductase
分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Bennett, B.C, Dealwis, C.G.
登録日2008-05-30
公開日2009-04-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure of the ternary MTX.NADPH complex of the anthrax dihydrofolate reductase: a pharmacophore for dual-site inhibitor design.
J.Struct.Biol., 166, 2009
2INQ
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Neutron Crystal Structure of Escherichia coli Dihydrofolate Reductase Bound to the Anti-cancer drug, Methotrexate
分子名称: Dihydrofolate reductase, N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID
著者Bennett, B.C, Langan, P.A, Coates, L, Schoenborn, B, Dealwis, C.G.
登録日2006-10-08
公開日2007-02-06
最終更新日2023-08-30
実験手法NEUTRON DIFFRACTION (2.2 Å)
主引用文献Neutron diffraction studies of Escherichia coli dihydrofolate reductase complexed with methotrexate.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2NYQ
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Structure of Vibrio proteolyticus aminopeptidase with a bound Trp fragment of dLWCF
分子名称: Aminopeptidase, Tetrapeptide, ZINC ION
著者Bennett, B, Kumar, A, Narayanan, B, Kim, J.-J.
登録日2006-11-21
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate recognition by the leucine aminopeptidase from Vibrio proteolyticus
To be Published
2PRQ
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X-ray crystallographic characterization of the Co(II)-substituted Tris-bound form of the aminopeptidase from Aeromonas proteolytica
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, COBALT (II) ION
著者Munih, P, Moulin, A, Stamper, C.C, Bennet, B, Ringe, D, Petsko, G.A, Holz, R.C.
登録日2007-05-04
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献X-ray crystallographic characterization of the Co(II)-substituted Tris-bound form of the aminopeptidase from Aeromonas proteolytica.
J.Inorg.Biochem., 101, 2007
4PSY
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BU of 4psy by Molmil
100K crystal structure of Escherichia coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A.
登録日2014-03-08
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
7SJZ
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Crystal structure of aS162A mutant of Co-type nitrile hydratase from Pseudonocardia thermophila
分子名称: Cobalt-containing nitrile hydratase subunit alpha, Cobalt-containing nitrile hydratase subunit beta
著者Ogutu, R.A.M.I, Holz, C.R, Bennett, B, St Maurice, M.
登録日2021-10-19
公開日2021-12-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Examination of the Catalytic Role of the Axial Cystine Ligand in the Co-Type Nitrile Hydratase from Pseudonocardia thermophila JCM 3095
Catalysts, 11, 2021
3FH4
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Crystal Structure of Recombinant Vibrio proteolyticus aminopeptidase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ...
著者Yong, W, Kim, J.-J.P, Hartley, M, Bennett, B.
登録日2008-12-08
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Heterologous expression and purification of Vibrio proteolyticus (Aeromonas proteolytica) aminopeptidase: a rapid protocol
Protein Expr.Purif., 66, 2009
5ERA
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Human Connexin-26 (Calcium-free)
分子名称: Gap junction beta-2 protein
著者Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
登録日2015-11-13
公開日2016-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
4RGC
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BU of 4rgc by Molmil
277K Crystal structure of Escherichia Coli dihydrofolate reductase
分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
著者Wilson, M.A, Wan, Q, Bennett, B.C, Dealwis, C.
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
1FT7
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BU of 1ft7 by Molmil
AAP COMPLEXED WITH L-LEUCINEPHOSPHONIC ACID
分子名称: BACTERIAL LEUCYL AMINOPEPTIDASE, LEUCINE PHOSPHONIC ACID, POTASSIUM ION, ...
著者Stamper, C, Bennett, B, Holz, R, Petsko, G, Ringe, D.
登録日2000-09-11
公開日2000-10-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of the aminopeptidase from Aeromonas proteolytica by L-leucinephosphonic acid. Spectroscopic and crystallographic characterization of the transition state of peptide hydrolysis.
Biochemistry, 40, 2001
4PDJ
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BU of 4pdj by Molmil
Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+
分子名称: DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ...
著者Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B.
登録日2014-04-18
公開日2015-04-15
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION
主引用文献Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
5ER7
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BU of 5er7 by Molmil
Connexin-26 Bound to Calcium
分子名称: CALCIUM ION, Gap junction beta-2 protein
著者Purdy, M.D, Bennett, B.C, Baker, K.A, Yeager, M.J.
登録日2015-11-13
公開日2016-01-27
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.286 Å)
主引用文献An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.
Nat Commun, 7, 2016
2IQ6
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Crystal Structure of the Aminopeptidase from Vibrio proteolyticus in Complexation with Leucyl-leucyl-leucine.
分子名称: Bacterial leucyl aminopeptidase, Peptide, (Leucyl-leucyl-leucine), ...
著者Kumar, A, Narayanan, B, Kim, J.-J.P, Bennett, B.
登録日2006-10-13
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Experimental evidence for a metallohydrolase mechanism in which the nucleophile is not delivered by a metal ion: EPR spectrokinetic and structural studies of aminopeptidase from Vibrio proteolyticus
Biochem.J., 403, 2007
2UYX
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metallo-beta-lactamase (1BC2) single point mutant D120S
分子名称: BETA-LACTAMASE II, GLYCEROL, ZINC ION
著者Larrull, L.I, Fabiane, S.M, Kowalski, J.M, Bennett, B, Sutton, B.J, Vila, A.J.
登録日2007-04-20
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Asp-120 locates Zn2 for optimal metallo-beta-lactamase activity.
J. Biol. Chem., 282, 2007
1CP6
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BU of 1cp6 by Molmil
1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE
分子名称: 1-BUTANE BORONIC ACID, PROTEIN (AMINOPEPTIDASE), ZINC ION
著者Depaola, C.C, Bennett, B, Holz, R.C, Ringe, D, Petsko, G.A.
登録日1999-06-08
公開日1999-06-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1-Butaneboronic acid binding to Aeromonas proteolytica aminopeptidase: a case of arrested development.
Biochemistry, 38, 1999
1E5V
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OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES BUFFER
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
著者Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
登録日2000-08-03
公開日2000-08-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
1E60
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OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
著者Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
登録日2000-08-06
公開日2000-08-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
1E61
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OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
著者Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
登録日2000-08-06
公開日2000-08-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
1WKM
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THE PRODUCT BOUND FORM OF THE MN(II)LOADED METHIONINE AMINOPEPTIDASE FROM HYPERTHERMOPHILE PYROCOCCUS FURIOSUS
分子名称: MANGANESE (II) ION, METHIONINE, Methionine aminopeptidase
著者Copik, A.J, Nocek, B.P, Jang, S.B, Swierczek, S.I, Ruebush, S, Meng, L, D'souza, V.M, Peters, J.W, Bennett, B, Holz, R.C.
登録日2004-06-01
公開日2005-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献EPR and X-ray crystallographic characterization of the product-bound form of the MnII-loaded methionyl aminopeptidase from Pyrococcus furiosus
Biochemistry, 44, 2005
3TTJ
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Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury
分子名称: 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10
著者Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y.
登録日2011-09-14
公開日2012-01-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Bioorg.Med.Chem.Lett., 22, 2012
3TTI
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Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol
著者Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y.
登録日2011-09-14
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012

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