Author results

1PW1
  • Download 1pw1
  • View 1pw1
Molmil generated image of 1pw1
NON-COVALENT COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A HIGHLY SPECIFIC PENICILLIN
Descriptor:D-alanyl-D-alanine carboxypeptidase, (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, GLYCEROL, ...
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:2011-07-13
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
1PW8
  • Download 1pw8
  • View 1pw8
Molmil generated image of 1pw8
COVALENT ACYL ENZYME COMPLEX OF THE R61 DD-PEPTIDASE WITH A HIGHLY SPECIFIC CEPHALOSPORIN
Descriptor:D-alanyl-D-alanine carboxypeptidase, (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, 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:2011-07-13
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
1PWC
  • Download 1pwc
  • View 1pwc
Molmil generated image of 1pwc
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:2011-07-13
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
1PWD
  • Download 1pwd
  • View 1pwd
Molmil generated image of 1pwd
COVALENT ACYL ENZYME COMPLEX OF THE STREPTOMYCES R61 DD-PEPTIDASE WITH CEPHALOSPORIN C
Descriptor:D-alanyl-D-alanine carboxypeptidase precursor, (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
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:2011-07-13
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
1PWG
  • Download 1pwg
  • View 1pwg
Molmil generated image of 1pwg
COVALENT PENICILLOYL ACYL ENZYME COMPLEX OF THE STREPTOMYCES R61 DD-PEPTIDASE WITH A HIGHLY SPECIFIC PENICILLIN
Descriptor:D-alanyl-D-alanine carboxypeptidase, (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
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:2011-07-13
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
  • Download 1scw
  • View 1scw
Molmil generated image of 1scw
TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR
Descriptor:D-alanyl-D-alanine carboxypeptidase, (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, 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:2011-07-13
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
  • Download 1sde
  • View 1sde
Molmil generated image of 1sde
TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF D-ALA-D-ALA PEPTIDASE INHIBITED BY A NOVEL BICYCLIC PHOSPHATE INHIBITOR
Descriptor:D-alanyl-D-alanine carboxypeptidase, 2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE, 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:2011-07-13
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
1MPL
  • Download 1mpl
  • View 1mpl
Molmil generated image of 1mpl
CRYSTAL STRUCTURE OF PHOSPHONATE-INHIBITED D-ALA-D-ALA PEPTIDASE REVEALS AN ANALOG OF A TETRAHEDRAL TRANSITION STATE
Descriptor:D-alanyl-D-alanine carboxypeptidase, GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE, GLYCEROL
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:2011-07-13
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
2FUC
  • Download 2fuc
  • View 2fuc
Molmil generated image of 2fuc
HUMAN ALPHA-PHOSPHOMANNOMUTASE 1 WITH MG2+ COFACTOR BOUND
Descriptor:Phosphomannomutase 1, MAGNESIUM ION
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
  • Download 2fue
  • View 2fue
Molmil generated image of 2fue
HUMAN ALPHA-PHOSPHOMANNOMUTASE 1 WITH D-MANNOSE 1-PHOSPHATE AND MG2+ COFACTOR BOUND
Descriptor:Phosphomannomutase 1, ALPHA-D-MANNOSE 1-PHOSPHATE, MAGNESIUM ION
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 (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
2ILP
  • Download 2ilp
  • View 2ilp
Molmil generated image of 2ilp
CLOSTRIDIUM BOTULINUM SEROTYPE A LIGHT CHAIN INHIBITED BY 4-CHLOROCINNAMIC HYDROXAMATE
Descriptor:Botulinum neurotoxin A light-chain, ZINC ION, PHOSPHATE ION, ...
Authors:Silvaggi, N.R., Allen, K.N.
Deposit date:2006-10-03
Release date:2007-06-05
Last modified:2017-10-18
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
2IMA
  • Download 2ima
  • View 2ima
Molmil generated image of 2ima
CLOSTRIDIUM BOTULINUM NEUROTOXIN SEROTYPE A LIGHT CHAIN INHIBITED BY 2,4-DICHLOROCINNAMIC HYDROXAMATE
Descriptor:Botulinum neurotoxin A light-chain, ZINC ION, (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE
Authors:Silvaggi, N.R., Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2017-10-18
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
2IMB
  • Download 2imb
  • View 2imb
Molmil generated image of 2imb
CLOSTRIDIUM BOTULINUM NEUROTOXIN SEROTYPE A LIGHT CHAIN INHIBITED BY L-ARGININE HYDROXAMATE
Descriptor:Botulinum neurotoxin A light-chain, ZINC ION, N-HYDROXY-L-ARGININAMIDE
Authors:Silvaggi, N.R., Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2017-10-18
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
  • Download 2imc
  • View 2imc
Molmil generated image of 2imc
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:2017-10-18
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
2OJR
  • Download 2ojr
  • View 2ojr
Molmil generated image of 2ojr
STRUCTURE OF UBIQUITIN SOLVED BY SAD USING THE LANTHANIDE-BINDING TAG
Descriptor:Ubiquitin, TERBIUM(III) ION
Authors:Silvaggi, N.R., Allen, K.N.
Deposit date:2007-01-13
Release date:2007-06-12
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Double-Lanthanide-Binding Tags for Macromolecular Crystallographic Structure Determination.
J.Am.Chem.Soc., 129, 2007
3BOK
  • Download 3bok
  • View 3bok
Molmil generated image of 3bok
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:2017-10-25
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
  • Download 3bon
  • View 3bon
Molmil generated image of 3bon
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:2017-10-25
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
  • Download 3boo
  • View 3boo
Molmil generated image of 3boo
STRUCTURE OF THE C. BOTULINUM NEUROTOXIN SEROTYPE A WITH AN INHIBITORY PEPTIDE BOUND
Descriptor:Neurotoxin A, N-Ac-CRATKML inhibitory peptide, ZINC ION
Authors:Silvaggi, N.R., Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2017-10-25
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
4HEV
  • Download 4hev
  • View 4hev
Molmil generated image of 4hev
CLOSTRIDIUM BOTULINUM SEROTYPE A LIGHT CHAIN INHIBITED BY ADAMANTANE HYDROXAMATE
Descriptor:Botulinum neurotoxin type A light chain, ZINC ION, N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
Authors:Silvaggi, N.R., Allen, K.N.
Deposit date:2012-10-04
Release date:2013-01-23
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: synthesis, crystallography, modeling, kinetic and cellular based studies.
Bioorg.Med.Chem., 21, 2013
4JM3
  • Download 4jm3
  • View 4jm3
Molmil generated image of 4jm3
ENDURACIDIDINE BIOSYNTHESIS ENZYME MPPR WITH HEPES BUFFER BOUND
Descriptor:Putative uncharacterized protein mppR, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Silvaggi, N.R.
Deposit date:2013-03-13
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Characterization of MppR, an Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus: Functional Diversity in the Acetoacetate Decarboxylase-like Superfamily.
Biochemistry, 52, 2013
4JMC
  • Download 4jmc
  • View 4jmc
Molmil generated image of 4jmc
ENDURACIDIDINE BIOSYNTHESIS ENZYME MPPR COMPLEXED WITH PYRUVATE
Descriptor:Putative uncharacterized protein mppR, PYRUVIC ACID
Authors:Silvaggi, N.R.
Deposit date:2013-03-13
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural and Functional Characterization of MppR, an Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus: Functional Diversity in the Acetoacetate Decarboxylase-like Superfamily.
Biochemistry, 52, 2013
4JMD
  • Download 4jmd
  • View 4jmd
Molmil generated image of 4jmd
ENDURACIDIDINE BIOSYNTHESIS ENZYME MPPR COMPLEXED WITH THE CONDENSATION PRODUCT OF PYRUVATE AND IMIDAZOLE 4-CARBOXALDEHYDE
Descriptor:Putative uncharacterized protein mppR, (3E)-4-(1H-imidazol-4-yl)but-3-enoic acid
Authors:Silvaggi, N.R.
Deposit date:2013-03-13
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and Functional Characterization of MppR, an Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus: Functional Diversity in the Acetoacetate Decarboxylase-like Superfamily.
Biochemistry, 52, 2013
4JME
  • Download 4jme
  • View 4jme
Molmil generated image of 4jme
ENDURACIDIDINE BIOSYNTHESIS ENZYME MPPR COMPLEXED WITH 2-KETO-ENDURACIDIDINE
Descriptor:Putative uncharacterized protein mppR, (4R)-4-(2-carboxyethyl)imidazolidin-2-iminium
Authors:Silvaggi, N.R.
Deposit date:2013-03-13
Release date:2013-07-03
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Characterization of MppR, an Enduracididine Biosynthetic Enzyme from Streptomyces hygroscopicus: Functional Diversity in the Acetoacetate Decarboxylase-like Superfamily.
Biochemistry, 52, 2013
4LZL
  • Download 4lzl
  • View 4lzl
Molmil generated image of 4lzl
STRUCTURE OF THE INACTIVE FORM OF THE REGULATORY DOMAIN FROM THE REPRESSOR OF IRON TRANSPORT REGULATOR (RITR)
Descriptor:Response regulator, GLYCEROL
Authors:Silvaggi, N.R., Han, L., Ulijasz, A.T.
Deposit date:2013-07-31
Release date:2014-09-17
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
4ZCC
  • Download 4zcc
  • View 4zcc
Molmil generated image of 4zcc
RENALASE IN COMPLEX WITH NADH
Descriptor:Renalase, FLAVIN-ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Silvaggi, N.R., Moran, G.R., Roman, J.V.
Deposit date:2015-04-15
Release date:2015-07-15
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Bacterial Renalase: Structure and Kinetics of an Enzyme with 2- and 6-Dihydro-beta-NAD(P) Oxidase Activity from Pseudomonas phaseolicola.
Biochemistry, 54, 2015
<123>