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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
Descriptor: D-alanyl-D-alanine carboxypeptidase, GLYCEROL, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
Authors:Silvaggi, N.R, Anderson, J.W, Brinsmade, S.R, Pratt, R.F, Kelly, J.A.
Deposit date:2002-09-12
Release date:2003-02-25
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The Crystal Structure of Phosphonate-Inhibited d-Ala-d-Ala Peptidase Reveals an Analogue of a Tetrahedral Transition State.
Biochemistry, 42, 2003
1PWD
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BU of 1pwd by Molmil
Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C
Descriptor: (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
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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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BU of 1pw1 by Molmil
Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin
Descriptor: (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, ...
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-06-30
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: D-alanyl-D-alanine carboxypeptidase, OPEN FORM - PENICILLIN G
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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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BU of 1pw8 by Molmil
Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin
Descriptor: (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
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: (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
Authors:Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
Deposit date:2003-07-01
Release date:2004-07-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.074 Å)
Cite: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
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
Descriptor: (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
Authors:Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
Deposit date:2004-02-12
Release date:2004-06-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Toward Better Antibiotics: Crystallographic Studies of a Novel Class of DD-Peptidase/beta-Lactamase Inhibitors.
Biochemistry, 43, 2004
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
Descriptor: 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
Authors:Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
Deposit date:2004-02-13
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors
Biochemistry, 43, 2004
2FUC
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BU of 2fuc by Molmil
Human alpha-Phosphomannomutase 1 with Mg2+ cofactor bound
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2006-01-26
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
2FUE
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BU of 2fue by Molmil
Human alpha-Phosphomannomutase 1 with D-mannose 1-phosphate and Mg2+ cofactor bound
Descriptor: 1-O-phosphono-alpha-D-mannopyranose, MAGNESIUM ION, Phosphomannomutase 1
Authors:Silvaggi, N.R, Zhang, C, Lu, Z, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2006-01-26
Release date:2006-03-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
3BOK
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BU of 3bok by Molmil
Structure of the C. botulinum neurotoxin serotype A apo-enzyme
Descriptor: Neurotoxin A
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
3BON
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BU of 3bon by Molmil
Structure of the C. botulinum neurotoxin serotype A with Zn2+ cofactor bound
Descriptor: Neurotoxin A, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: N-Ac-CRATKML inhibitory peptide, Neurotoxin A, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
2ILP
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BU of 2ilp by Molmil
Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
Descriptor: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-03
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Botulinum neurotoxin A light-chain, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite: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
Descriptor: Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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BU of 2ima by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
Descriptor: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2OJR
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BU of 2ojr by Molmil
Structure of ubiquitin solved by SAD using the Lanthanide-Binding Tag
Descriptor: TERBIUM(III) ION, Ubiquitin
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-01-13
Release date:2007-06-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Double-Lanthanide-Binding Tags for Macromolecular Crystallographic Structure Determination.
J.Am.Chem.Soc., 129, 2007
8TN3
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BU of 8tn3 by Molmil
Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxamine 5'-phosphate (PMP)
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, PLP-dependent aminotransferase MppQ
Authors:Silvaggi, N.R, Vuksanovic, N.
Deposit date:2023-08-01
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and Biochemical Characterization of MppQ, an L-Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus.
Biochemistry, 62, 2023
8TN2
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BU of 8tn2 by Molmil
Structure of S. hygroscopicus aminotransferase MppQ complexed with pyridoxal-5'-phosphate (PLP)
Descriptor: PLP-dependent aminotransferase MppQ
Authors:Silvaggi, N.R, Vuksanovic, N.
Deposit date:2023-08-01
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Characterization of MppQ, an L-Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus.
Biochemistry, 62, 2023
7N18
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BU of 7n18 by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid
Descriptor: (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ...
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2021-05-27
Release date:2022-07-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.
Acs Med.Chem.Lett., 12, 2021
5DJ3
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BU of 5dj3 by Molmil
Structure of the PLP-Dependent L-Arginine Hydroxylase MppP with D-Arginine Bound
Descriptor: (E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine, MAGNESIUM ION, PLP-Dependent L-Arginine Hydroxylase MppP
Authors:Silvaggi, N.R, Han, L.
Deposit date:2015-09-01
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:Streptomyces wadayamensis MppP Is a Pyridoxal 5'-Phosphate-Dependent l-Arginine alpha-Deaminase, gamma-Hydroxylase in the Enduracididine Biosynthetic Pathway.
Biochemistry, 54, 2015
5DJ1
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BU of 5dj1 by Molmil
Structure of the PLP-Dependent L-Arginine Hydroxylase MppP Holoenzyme
Descriptor: CHLORIDE ION, MAGNESIUM ION, PLP-Dependent L-Arginine Hydroxylase MppP
Authors:Silvaggi, N.R, Han, L.
Deposit date:2015-09-01
Release date:2015-11-25
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Streptomyces wadayamensis MppP Is a Pyridoxal 5'-Phosphate-Dependent l-Arginine alpha-Deaminase, gamma-Hydroxylase in the Enduracididine Biosynthetic Pathway.
Biochemistry, 54, 2015
4LZL
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BU of 4lzl by Molmil
Structure of the inactive form of the regulatory domain from the repressor of iron transport regulator (RitR)
Descriptor: GLYCEROL, Response regulator
Authors:Silvaggi, N.R, Han, L, Ulijasz, A.T.
Deposit date:2013-07-31
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Defining the Aspartate-Less Receiver (ALR) Domains: Structure and Activation of RitR from Streptococcus pneumoniae
To be Published
5IHS
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BU of 5ihs by Molmil
Structure of CHU_2103 from Cytophaga hutchinsonii
Descriptor: Endoglucanase, glycoside hydrolase family 5 protein
Authors:Silvaggi, N.R, Han, L.
Deposit date:2016-02-29
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Periplasmic Cytophaga hutchinsonii Endoglucanases Are Required for Use of Crystalline Cellulose as the Sole Source of Carbon and Energy.
Appl.Environ.Microbiol., 82, 2016

 

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