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1SDE
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BU of 1sde by Molmil
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
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2024-10-30
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
3BOK
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BU of 3bok by Molmil
Structure of the C. botulinum neurotoxin serotype A apo-enzyme
分子名称: Neurotoxin A
著者Silvaggi, N.R, Allen, K.N.
登録日2007-12-17
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
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2024-10-30
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
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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BU of 1pwc by Molmil
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2024-10-16
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
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2024-10-30
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
1PWG
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BU of 1pwg by Molmil
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
1MPL
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BU of 1mpl by Molmil
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
3BON
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BU of 3bon by Molmil
Structure of the C. botulinum neurotoxin serotype A with Zn2+ cofactor bound
分子名称: Neurotoxin A, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2007-12-17
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
3BOO
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BU of 3boo by Molmil
Structure of the C. botulinum neurotoxin serotype A with an inhibitory peptide bound
分子名称: N-Ac-CRATKML inhibitory peptide, Neurotoxin A, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2007-12-17
公開日2008-05-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
2OJR
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BU of 2ojr by Molmil
Structure of ubiquitin solved by SAD using the Lanthanide-Binding Tag
分子名称: TERBIUM(III) ION, Ubiquitin
著者Silvaggi, N.R, Allen, K.N.
登録日2007-01-13
公開日2007-06-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Double-Lanthanide-Binding Tags for Macromolecular Crystallographic Structure Determination.
J.Am.Chem.Soc., 129, 2007
2FUC
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BU of 2fuc by Molmil
Human alpha-Phosphomannomutase 1 with Mg2+ cofactor bound
分子名称: MAGNESIUM ION, Phosphomannomutase 1
著者Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
登録日2006-01-26
公開日2006-03-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
2ILP
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BU of 2ilp by Molmil
Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
分子名称: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-03
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMB
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BU of 2imb by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by L-arginine hydroxamate
分子名称: Botulinum neurotoxin A light-chain, N-HYDROXY-L-ARGININAMIDE, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMA
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Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
分子名称: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMC
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BU of 2imc by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain, Residues 1-424
分子名称: Botulinum neurotoxin A light-chain, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2FUE
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BU of 2fue by Molmil
Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound
分子名称: 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1
著者Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
登録日2006-01-26
公開日2006-03-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The X-ray crystal structures of human alpha-phosphomannomutase 1 reveal the structural basis of congenital disorder of glycosylation type 1a.
J.Biol.Chem., 281, 2006
5IHS
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BU of 5ihs by Molmil
Structure of CHU_2103 from Cytophaga hutchinsonii
分子名称: Endoglucanase, glycoside hydrolase family 5 protein
著者Silvaggi, N.R, Han, L.
登録日2016-02-29
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Periplasmic Cytophaga hutchinsonii Endoglucanases Are Required for Use of Crystalline Cellulose as the Sole Source of Carbon and Energy.
Appl.Environ.Microbiol., 82, 2016
4HEV
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BU of 4hev by Molmil
Clostridium Botulinum Serotype A Light Chain Inhibited By Adamantane Hydroxamate
分子名称: Botulinum neurotoxin type A light chain, N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2012-10-04
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: synthesis, crystallography, modeling, kinetic and cellular based studies.
Bioorg.Med.Chem., 21, 2013
8TN3
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Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxamine 5'-phosphate (PMP)
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, PLP-dependent aminotransferase MppQ
著者Silvaggi, N.R, Vuksanovic, N.
登録日2023-08-01
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural and Biochemical Characterization of MppQ, an L-Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus.
Biochemistry, 62, 2023
8TN2
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Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxal-5'-phosphate (PLP)
分子名称: PLP-dependent aminotransferase MppQ
著者Silvaggi, N.R, Vuksanovic, N.
登録日2023-08-01
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Characterization of MppQ, an L-Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus.
Biochemistry, 62, 2023
7N18
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Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid
分子名称: (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ...
著者Silvaggi, N.R, Allen, K.N.
登録日2021-05-27
公開日2022-07-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.
Acs Med.Chem.Lett., 12, 2021
5DJ1
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Structure of the PLP-Dependent L-Arginine Hydroxylase MppP Holoenzyme
分子名称: CHLORIDE ION, MAGNESIUM ION, PLP-Dependent L-Arginine Hydroxylase MppP
著者Silvaggi, N.R, Han, L.
登録日2015-09-01
公開日2015-11-25
最終更新日2017-05-03
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Streptomyces wadayamensis MppP Is a Pyridoxal 5'-Phosphate-Dependent l-Arginine alpha-Deaminase, gamma-Hydroxylase in the Enduracididine Biosynthetic Pathway.
Biochemistry, 54, 2015
5DJ3
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Structure of the PLP-Dependent L-Arginine Hydroxylase MppP with D-Arginine Bound
分子名称: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, MAGNESIUM ION, PLP-Dependent L-Arginine Hydroxylase MppP
著者Silvaggi, N.R, Han, L.
登録日2015-09-01
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.227 Å)
主引用文献Streptomyces wadayamensis MppP Is a Pyridoxal 5'-Phosphate-Dependent l-Arginine alpha-Deaminase, gamma-Hydroxylase in the Enduracididine Biosynthetic Pathway.
Biochemistry, 54, 2015

 

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