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8U8J
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Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
分子名称: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
著者Anderson, J.W, Vigers, G.P.
登録日2023-09-18
公開日2024-03-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8U8K
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Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
分子名称: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
著者Anderson, J.W, Vigers, G.P.
登録日2023-09-18
公開日2024-03-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
1MPL
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CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE
分子名称: D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
著者Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A.
登録日2002-09-12
公開日2003-02-25
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献The Crystal Structure of Phosphonate-Inhibited d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State.
Biochemistry, 42, 2003
2FOI
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Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase.
分子名称: 4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-3-OL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Shieh, H, Anderson, J.W, Kuo, M, Yu, M, Valderramos, J, Karagyozov, L, Tsai, H, Lucumi, E, Jacobs Jr, W.R, Schiehser, G.A, Jacobus, D.P, Fidock, D.A, Sacchettini, J.C.
登録日2006-01-13
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray Structural Analysis of Plasmodium falciparum Enoyl Acyl Carrier Protein Reductase as a Pathway toward the Optimization of Triclosan Antimalarial Efficacy.
J.Biol.Chem., 282, 2007
1ZXL
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Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-4-CARBOXAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-08
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZSN
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Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-05-24
公開日2006-05-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.992 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZW1
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Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-03
公開日2006-06-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1ZXB
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Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives
分子名称: 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase
著者Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C.
登録日2005-06-07
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
1IKI
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BU of 1iki by Molmil
COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
分子名称: D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE
著者Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A.
登録日2001-05-03
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
1IKG
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BU of 1ikg by Molmil
MICHAELIS COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
分子名称: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
著者Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A.
登録日2001-05-03
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
2J9P
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Crystal structure of the Bacillus subtilis PBP4a, and its complex with a peptidoglycan mimetic peptide.
分子名称: (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID, D-ALANINE, D-alanyl-D-alanine carboxypeptidase DacC
著者Sauvage, E, Herman, R, Kerff, F, Duez, C, Charlier, P.
登録日2006-11-15
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the Bacillus subtilis penicillin-binding protein 4a, and its complex with a peptidoglycan mimetic peptide.
J. Mol. Biol., 371, 2007
1OPD
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HISTIDINE-CONTAINING PROTEIN (HPR), MUTANT WITH SER 46 REPLACED BY ASP (S46D)
分子名称: HISTIDINE-CONTAINING PROTEIN, SULFATE ION
著者Napper, S, Delbaere, L, Waygood, B.
登録日1996-08-01
公開日1997-08-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mutation of serine-46 to aspartate in the histidine-containing protein of Escherichia coli mimics the inactivation by phosphorylation of serine-46 in HPrs from gram-positive bacteria.
Biochemistry, 35, 1996
1SCW
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BU of 1scw by Molmil
TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR
分子名称: (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
著者Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
登録日2004-02-12
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Toward Better Antibiotics: Crystallographic Studies of a Novel Class of DD-Peptidase/beta-Lactamase Inhibitors.
Biochemistry, 43, 2004
1SDE
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Toward Better Antibiotics: Crystal Structure Of D-Ala-D-Ala Peptidase inhibited by a novel bicyclic phosphate inhibitor
分子名称: 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
著者Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
登録日2004-02-13
公開日2004-10-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors
Biochemistry, 43, 2004
1W5D
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Crystal structure of PBP4a from Bacillus subtilis
分子名称: CALCIUM ION, PENICILLIN-BINDING PROTEIN
著者Sauvage, E, Herman, R, Petrella, S, Duez, C, Frere, J.M, Charlier, P.
登録日2004-08-06
公開日2005-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Bacillus Subtilis Penicillin-Binding Protein 4A, and its Complex with a Peptidoglycan Mimetic Peptide.
J.Mol.Biol., 371, 2007
2OP1
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Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase
分子名称: 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tsai, H.
登録日2007-01-26
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
2OL4
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Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase
分子名称: 2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tsai, H.
登録日2007-01-18
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
2OP0
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Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase
分子名称: 2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-5-PYRIDIN-2-YLPHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Tsai, H.
登録日2007-01-26
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
2OOS
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Crystal structure of plasmodium falciparum enoyl ACP reductase with triclosan reductase
分子名称: 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tsai, H.
登録日2007-01-26
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
2NQ8
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Malarial enoyl acyl ACP reductase bound with INH-NAD adduct
分子名称: Enoyl-acyl carrier reductase, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
著者Freundlich, J.S, Yu, M, Lucumi, E, Kuo, M, Tsai, H.C, Valderramos, J.C, Karagyozov, L, Jacobs Jr, W.R, Schiehser, G.A, Fidock, D.A, Jacobus, D.P, Sacchettini, J.C.
登録日2006-10-30
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
1PW1
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Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
分子名称: (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, FORMYL GROUP, ...
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-06-30
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PWC
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penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G
分子名称: D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PWG
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Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
分子名称: (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.074 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PW8
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Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin
分子名称: (6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
1PWD
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Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C
分子名称: (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase precursor
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005

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