Author results

2GYI
  • Download 2gyi
  • View 2gyi
Molmil generated image of 2gyi
DESIGN, SYNTHESIS, AND CHARACTERIZATION OF A POTENT XYLOSE ISOMERASE INHIBITOR, D-THREONOHYDROXAMIC ACID, AND HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHIC STRUCTURE OF THE ENZYME-INHIBITOR COMPLEX
Descriptor:XYLOSE ISOMERASE, MAGNESIUM ION, 2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACID
Authors:Allen, K.N., Lavie, A., Petsko, G.A., Ringe, D.
Deposit date:1994-09-01
Release date:1995-07-10
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, Synthesis, and Characterization of a Potent Xylose Isomerase Inhibitor, D-Threonohydroxamic Acid, and High-Resolution X-Ray Crystallographic Structure of the Enzyme-Inhibitor Complex
Biochemistry, 34, 1995
1XYL
  • Download 1xyl
  • View 1xyl
Molmil generated image of 1xyl
THE ROLE OF THE DIVALENT METAL ION IN SUGAR BINDING, RING OPENING, AND ISOMERIZATION BY D-XYLOSE ISOMERASE: REPLACEMENT OF A CATALYTIC METAL BY AN AMINO-ACID
Descriptor:XYLOSE ISOMERASE, MAGNESIUM ION, HYDROXIDE ION
Authors:Allen, K.N., Lavie, A., Petsko, G.A., Ringe, D.
Deposit date:1993-12-07
Release date:1994-05-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of the divalent metal ion in sugar binding, ring opening, and isomerization by D-xylose isomerase: replacement of a catalytic metal by an amino acid.
Biochemistry, 33, 1994
1XYM
  • Download 1xym
  • View 1xym
Molmil generated image of 1xym
THE ROLE OF THE DIVALENT METAL ION IN SUGAR BINDING, RING OPENING, AND ISOMERIZATION BY D-XYLOSE ISOMERASE: REPLACEMENT OF A CATALYTIC METAL BY AN AMINO-ACID
Descriptor:XYLOSE ISOMERASE, D-GLUCOSE IN LINEAR FORM, MAGNESIUM ION, ...
Authors:Allen, K.N., Lavie, A., Petsko, G.A., Ringe, D.
Deposit date:1993-12-07
Release date:1994-05-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of the divalent metal ion in sugar binding, ring opening, and isomerization by D-xylose isomerase: replacement of a catalytic metal by an amino acid.
Biochemistry, 33, 1994
3R4C
  • Download 3r4c
  • View 3r4c
Molmil generated image of 3r4c
DIVERGENCE OF STRUCTURE AND FUNCTION AMONG PHOSPHATASES OF THE HALOALKANOATE (HAD) ENZYME SUPERFAMILY: ANALYSIS OF BT1666 FROM BACTEROIDES THETAIOTAOMICRON
Descriptor:Hydrolase, haloacid dehalogenase-like hydrolase, MAGNESIUM ION, ...
Authors:Allen, K.N., Lu, Z., Dunaway-Mariano, D.
Deposit date:2011-03-17
Release date:2011-10-26
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The X-ray crystallographic structure and specificity profile of HAD superfamily phosphohydrolase BT1666: Comparison of paralogous functions in B. thetaiotaomicron.
Proteins, 79, 2011
3U3H
  • Download 3u3h
  • View 3u3h
Molmil generated image of 3u3h
X-RAY CRYSTALLOGRAPHIC ANALYSIS OF D-XYLOSE ISOMERASE-CATALYZED ISOMERIZATION OF (R)-GLYCERALDEHYDE
Descriptor:Xylose isomerase, (2R)-propane-1,1,2,3-tetrol, FORMIC ACID, ...
Authors:Allen, K.N., Silvaggi, N.R., Toteva, M.M., Richard, J.P.
Deposit date:2011-10-05
Release date:2011-10-26
Last modified:2011-12-07
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Binding Energy and Catalysis by d-Xylose Isomerase: Kinetic, Product, and X-ray Crystallographic Analysis of Enzyme-Catalyzed Isomerization of (R)-Glyceraldehyde.
Biochemistry, 50, 2011
5V8P
  • Download 5v8p
  • View 5v8p
Molmil generated image of 5v8p
SMALL MOLECULE INHIBITOR ABS-143 BOUND TO THE BOTULINUM NEUROTOXIN SEROTYPE A LIGHT CHAIN
Descriptor:Botulinum neurotoxin type A, ZINC ION, N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide
Authors:Allen, K.N., Silvaggi, N.R.
Deposit date:2017-03-22
Release date:2017-07-26
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.
Toxicon, 137, 2017
5V8R
  • Download 5v8r
  • View 5v8r
Molmil generated image of 5v8r
SMALL MOLECULE INHIBITOR ABS-143 BOUND TO THE BOTULINUM NEUROTOXIN SEROTYPE A LIGHT CHAIN
Descriptor:Botulinum neurotoxin type A, ZINC ION, N-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide
Authors:Allen, K.N., Silvaggi, N.R.
Deposit date:2017-03-22
Release date:2017-07-26
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.
Toxicon, 137, 2017
5V8U
  • Download 5v8u
  • View 5v8u
Molmil generated image of 5v8u
SMALL MOLECULE INHIBITOR ABS-143 BOUND TO THE BOTULINUM NEUROTOXIN SEROTYPE A LIGHT CHAIN
Descriptor:Botulinum neurotoxin type A, ZINC ION, N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide
Authors:Allen, K.N., Silvaggi, N.R.
Deposit date:2017-03-22
Release date:2017-07-26
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.
Toxicon, 137, 2017
1XYA
  • Download 1xya
  • View 1xya
Molmil generated image of 1xya
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS
Descriptor:XYLOSE ISOMERASE, MAGNESIUM ION, HYDROXIDE ION
Authors:Lavie, A., Allen, K.N., Petsko, G.A., Ringe, D.
Deposit date:1994-01-03
Release date:1994-05-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis.
Biochemistry, 33, 1994
1XYB
  • Download 1xyb
  • View 1xyb
Molmil generated image of 1xyb
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS
Descriptor:XYLOSE ISOMERASE, D-GLUCOSE IN LINEAR FORM, MAGNESIUM ION
Authors:Lavie, A., Allen, K.N., Petsko, G.A., Ringe, D.
Deposit date:1994-01-03
Release date:1994-05-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis.
Biochemistry, 33, 1994
1XYC
  • Download 1xyc
  • View 1xyc
Molmil generated image of 1xyc
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS
Descriptor:XYLOSE ISOMERASE, 3-O-METHYLFRUCTOSE IN LINEAR FORM, MAGNESIUM ION
Authors:Lavie, A., Allen, K.N., Petsko, G.A., Ringe, D.
Deposit date:1994-01-03
Release date:1994-05-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis.
Biochemistry, 33, 1994
1FEZ
  • Download 1fez
  • View 1fez
Molmil generated image of 1fez
THE CRYSTAL STRUCTURE OF BACILLUS CEREUS PHOSPHONOACETALDEHYDE HYDROLASE COMPLEXED WITH TUNGSTATE, A PRODUCT ANALOG
Descriptor:PHOSPHONOACETALDEHYDE HYDROLASE, MAGNESIUM ION, TUNGSTATE(VI)ION
Authors:Morais, M.C., Zhang, W., Baker, A.S., Zhang, G., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2000-07-24
Release date:2000-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of bacillus cereus phosphonoacetaldehyde hydrolase: insight into catalysis of phosphorus bond cleavage and catalytic diversification within the HAD enzyme superfamily.
Biochemistry, 39, 2000
1J4E
  • Download 1j4e
  • View 1j4e
Molmil generated image of 1j4e
FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE COVALENTLY BOUND TO THE SUBSTRATE DIHYDROXYACETONE PHOSPHATE
Descriptor:FRUCTOSE-BISPHOSPHATE ALDOLASE A, 1,3-DIHYDROXYACETONEPHOSPHATE
Authors:Choi, K.H., Shi, J., Hopkins, C.E., Tolan, D.R., Allen, K.N.
Deposit date:2001-09-19
Release date:2002-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Snapshots of catalysis: the structure of fructose-1,6-(bis)phosphate aldolase covalently bound to the substrate dihydroxyacetone phosphate.
Biochemistry, 40, 2001
1LVH
  • Download 1lvh
  • View 1lvh
Molmil generated image of 1lvh
THE STRUCTURE OF PHOSPHORYLATED BETA-PHOSPHOGLUCOMUTASE FROM LACTOCCOCUS LACTIS TO 2.3 ANGSTROM RESOLUTION
Descriptor:beta-phosphoglucomutase, MAGNESIUM ION
Authors:Lahiri, S.D., Zhang, G., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2002-05-28
Release date:2002-08-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Caught in the act: the structure of phosphorylated beta-phosphoglucomutase from Lactococcus lactis.
Biochemistry, 41, 2002
1U7O
  • Download 1u7o
  • View 1u7o
Molmil generated image of 1u7o
MAGNESIUM DEPENDENT PHOSPHATASE 1 (MDP-1)
Descriptor:magnesium-dependent phosphatase-1, ACETATE ION
Authors:Peisach, E., Selengut, J.D., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystal structure of the hypothetical phosphotyrosine phosphatase MDP-1 of the haloacid dehalogenase superfamily
Biochemistry, 43, 2004
1U7P
  • Download 1u7p
  • View 1u7p
Molmil generated image of 1u7p
X-RAY CRYSTAL STRUCTURE OF THE HYPOTHETICAL PHOSPHOTYROSINE PHOSPHATASE MDP-1 OF THE HALOACID DEHALOGENASE SUPERFAMILY
Descriptor:magnesium-dependent phosphatase-1, MAGNESIUM ION, TUNGSTATE(VI)ION
Authors:Peisach, E., Selengut, J.D., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2004-08-04
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystal Structure of the Hypothetical Phosphotyrosine Phosphatase MDP-1 of the Haloacid Dehalogenase Superfamily
Biochemistry, 43, 2004
2ODA
  • Download 2oda
  • View 2oda
Molmil generated image of 2oda
CRYSTAL STRUCTURE OF PSPTO_2114
Descriptor:Hypothetical protein PSPTO_2114, MAGNESIUM ION, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Peisach, E., Allen, K.N., Dunaway-Mariano, D., Wang, L., Burroughs, A.M., Aravind, L.
Deposit date:2006-12-22
Release date:2007-09-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The X-ray crystallographic structure and activity analysis of a Pseudomonas-specific subfamily of the HAD enzyme superfamily evidences a novel biochemical function.
Proteins, 70, 2007
3FM9
  • Download 3fm9
  • View 3fm9
Molmil generated image of 3fm9
ANALYSIS OF THE STRUCTURAL DETERMINANTS UNDERLYING DISCRIMINATION BETWEEN SUBSTRATE AND SOLVENT IN BETA-PHOSPHOGLUCOMUTASE CATALYSIS
Descriptor:Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Finci, L., Lahiri, S., Peisach, E., Allen, K.N.
Deposit date:2008-12-19
Release date:2009-06-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Analysis of the structural determinants underlying discrimination between substrate and solvent in beta-phosphoglucomutase catalysis.
Biochemistry, 48, 2009
3LTQ
  • Download 3ltq
  • View 3ltq
Molmil generated image of 3ltq
STRUCTURE OF INTERLEUKIN 1B SOLVED BY SAD USING AN INSERTED LANTHANIDE BINDING TAG
Descriptor:Interleukin-1 beta, TERBIUM(III) ION, ACETATE ION, ...
Authors:Peisach, E., Allen, K.N.
Deposit date:2010-02-16
Release date:2011-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering encodable lanthanide-binding tags into loop regions of proteins.
J.Am.Chem.Soc., 133, 2011
1CQD
  • Download 1cqd
  • View 1cqd
Molmil generated image of 1cqd
THE 2.1 ANGSTROM STRUCTURE OF A CYSTEINE PROTEASE WITH PROLINE SPECIFICITY FROM GINGER RHIZOME, ZINGIBER OFFICINALE
Descriptor:PROTEIN (PROTEASE II), N-ACETYL-D-GLUCOSAMINE, BETA-L-FUCOSE, ...
Authors:Choi, K.H., Laursen, R.A., Allen, K.N.
Deposit date:1999-06-15
Release date:1999-09-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The 2.1 A structure of a cysteine protease with proline specificity from ginger rhizome, Zingiber officinale.
Biochemistry, 38, 1999
1O03
  • Download 1o03
  • View 1o03
Molmil generated image of 1o03
STRUCTURE OF PENTAVALENT PHOSPHOROUS INTERMEDIATE OF AN ENZYME CATALYZED PHOSPHORYL TRANSFER REACTION OBSERVED ON COCRYSTALLIZATION WITH GLUCOSE 6-PHOSPHATE
Descriptor:beta-phosphoglucomutase, ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE, MAGNESIUM ION
Authors:Lahiri, S.D., Zhang, G., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2003-02-20
Release date:2003-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003
1O08
  • Download 1o08
  • View 1o08
Molmil generated image of 1o08
STRUCTURE OF PENTAVALENT PHOSPHOROUS INTERMEDIATE OF AN ENZYME CATALYZED PHOSPHORYL TRANSFER REACTION OBSERVED ON COCRYSTALLIZATION WITH GLUCOSE 1-PHOSPHATE
Descriptor:beta-phosphoglucomutase, ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE, MAGNESIUM ION
Authors:Lahiri, S.D., Zhang, G., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2003-02-20
Release date:2003-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The pentacovalent phosphorus intermediate of a phosphoryl transfer reaction.
Science, 299, 2003
1RDF
  • Download 1rdf
  • View 1rdf
Molmil generated image of 1rdf
G50P MUTANT OF PHOSPHONOACETALDEHYDE HYDROLASE IN COMPLEX WITH SUBSTRATE ANALOGUE VINYL SULFONATE
Descriptor:phosphonoacetaldehyde hydrolase, MAGNESIUM ION, ETHANESULFONIC ACID
Authors:Lahiri, S.D., Zhang, G., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2003-11-05
Release date:2004-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Analysis of the substrate specificity loop of the HAD superfamily cap domain
Biochemistry, 43, 2004
1RQL
  • Download 1rql
  • View 1rql
Molmil generated image of 1rql
CRYSTAL STRUCTURE OF PHOSPONOACETALDEHYDE HYDROLASE COMPLEXED WITH MAGNESIUM AND THE INHIBITOR VINYL SULFONATE
Descriptor:Phosphonoacetaldehyde Hydrolase, MAGNESIUM ION, VINYLSULPHONIC ACID
Authors:Morais, M.C., Zhang, G., Zhang, W., Olsen, D.B., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2003-12-05
Release date:2004-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic and site-directed mutagenesis analysis of the mechanism of Schiff-base formation in phosphonoacetaldehyde hydrolase catalysis
J.Biol.Chem., 279, 2004
1RQN
  • Download 1rqn
  • View 1rqn
Molmil generated image of 1rqn
PHOSPHONOACETALDEHYDE HYDROLASE COMPLEXED WITH MAGNESIUM
Descriptor:Phosphonoacetaldehyde Hydrolase, MAGNESIUM ION
Authors:Morais, M.C., Zhang, G., Zhang, W., Olsen, D.B., Dunaway-Mariano, D., Allen, K.N.
Deposit date:2003-12-05
Release date:2004-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:X-ray crystallographic and site-directed mutagenesis analysis of the mechanism of Schiff-base formation in phosphonoacetaldehyde hydrolase catalysis
J.Biol.Chem., 279, 2004