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2GYI
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BU of 2gyi by Molmil
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: 2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACID, MAGNESIUM ION, XYLOSE ISOMERASE
Authors:Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D.
Deposit date:1994-09-01
Release date:1995-07-10
Last modified:2024-02-14
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
1XYM
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BU of 1xym by Molmil
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: D-glucose, HYDROXIDE ION, 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:2024-02-14
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
1XYL
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BU of 1xyl by Molmil
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: HYDROXIDE ION, MAGNESIUM ION, XYLOSE ISOMERASE
Authors:Allen, K.N, Lavie, A, Petsko, G.A, Ringe, D.
Deposit date:1993-12-07
Release date:1994-05-31
Last modified:2024-02-14
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
5V8R
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BU of 5v8r by Molmil
Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain
Descriptor: Botulinum neurotoxin type A, N-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-sulfanylacetamide, ZINC ION
Authors:Allen, K.N, Silvaggi, N.R.
Deposit date:2017-03-22
Release date:2017-07-26
Last modified:2023-10-04
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
3U3H
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BU of 3u3h by Molmil
X-Ray Crystallographic Analysis of D-Xylose Isomerase-Catalyzed Isomerization of (R)-Glyceraldehyde
Descriptor: (2R)-propane-1,1,2,3-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, 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:2024-02-28
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
5V8U
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BU of 5v8u by Molmil
Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain
Descriptor: Botulinum neurotoxin type A, N-[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]-2-sulfanylacetamide, ZINC ION
Authors:Allen, K.N, Silvaggi, N.R.
Deposit date:2017-03-22
Release date:2017-07-26
Last modified:2023-10-04
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
5V8P
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BU of 5v8p by Molmil
Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain
Descriptor: Botulinum neurotoxin type A, N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide, ZINC ION
Authors:Allen, K.N, Silvaggi, N.R.
Deposit date:2017-03-22
Release date:2017-07-26
Last modified:2023-10-04
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
3R4C
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BU of 3r4c by Molmil
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
Last modified:2023-09-13
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
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:2024-10-30
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
6P2D
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BU of 6p2d by Molmil
Structure of mouse ketohexokinase-C in complex with fructose and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ketohexokinase, NITRATE ION, ...
Authors:Gasper, W.C, Allen, K.N, Tolan, D.R.
Deposit date:2019-05-21
Release date:2020-06-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Michaelis-like complex of mouse ketohexokinase isoform C
ACTA CRYSTALLOGR.,SECT.D, 2024
1XYA
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BU of 1xya by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS
Descriptor: HYDROXIDE ION, MAGNESIUM ION, XYLOSE ISOMERASE
Authors:Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D.
Deposit date:1994-01-03
Release date:1994-05-31
Last modified:2024-02-14
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
1XYC
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BU of 1xyc by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS
Descriptor: 3-O-METHYLFRUCTOSE IN LINEAR FORM, MAGNESIUM ION, XYLOSE ISOMERASE
Authors:Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D.
Deposit date:1994-01-03
Release date:1994-05-31
Last modified:2024-02-14
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
1XYB
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BU of 1xyb by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS
Descriptor: D-glucose, MAGNESIUM ION, XYLOSE ISOMERASE
Authors:Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D.
Deposit date:1994-01-03
Release date:1994-05-31
Last modified:2024-02-14
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
3BV4
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BU of 3bv4 by Molmil
Crystal structure of a rabbit muscle fructose-1,6-bisphosphate aldolase A dimer variant
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase A, SULFATE ION
Authors:Sherawat, M, Tolan, D.R, Allen, K.N.
Deposit date:2008-01-04
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a rabbit muscle fructose-1,6-bisphosphate aldolase A dimer variant.
Acta Crystallogr.,Sect.D, 64, 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:2024-10-16
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
3FM9
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BU of 3fm9 by Molmil
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:2023-09-06
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
3S0M
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BU of 3s0m by Molmil
A Structural Element that Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Saylor, B.T, Reinhardt, L.A, Lu, Z, Shukla, M.S, Cleland, W.W, Allen, K.N, Richards, N.G.J.
Deposit date:2011-05-13
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A structural element that facilitates proton-coupled electron transfer in oxalate decarboxylase.
Biochemistry, 51, 2012
2ODA
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BU of 2oda by Molmil
Crystal Structure of PSPTO_2114
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypothetical protein PSPTO_2114, MAGNESIUM ION
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:2024-11-20
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
1FEZ
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BU of 1fez by Molmil
THE CRYSTAL STRUCTURE OF BACILLUS CEREUS PHOSPHONOACETALDEHYDE HYDROLASE COMPLEXED WITH TUNGSTATE, A PRODUCT ANALOG
Descriptor: MAGNESIUM ION, PHOSPHONOACETALDEHYDE HYDROLASE, 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:2024-02-07
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
1LVH
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BU of 1lvh by Molmil
The Structure of Phosphorylated beta-phosphoglucomutase from Lactoccocus lactis to 2.3 angstrom resolution
Descriptor: MAGNESIUM ION, beta-phosphoglucomutase
Authors:Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2002-05-28
Release date:2002-08-14
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Caught in the act: the structure of phosphorylated beta-phosphoglucomutase from Lactococcus lactis.
Biochemistry, 41, 2002
1J4E
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BU of 1j4e by Molmil
FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE COVALENTLY BOUND TO THE SUBSTRATE DIHYDROXYACETONE PHOSPHATE
Descriptor: 1,3-DIHYDROXYACETONEPHOSPHATE, FRUCTOSE-BISPHOSPHATE ALDOLASE A
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:2024-11-06
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
3LTQ
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BU of 3ltq by Molmil
Structure of Interleukin 1B solved by SAD using an inserted Lanthanide Binding Tag
Descriptor: ACETATE ION, Interleukin-1 beta, SULFATE ION, ...
Authors:Peisach, E, Allen, K.N.
Deposit date:2010-02-16
Release date:2011-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering encodable lanthanide-binding tags into loop regions of proteins.
J.Am.Chem.Soc., 133, 2011
8G1N
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BU of 8g1n by Molmil
Structure of Campylobacter concisus PglC I57M/Q175M Variant with modeled C-terminus
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MAGNESIUM ION, N,N'-diacetylbacilliosaminyl-1-phosphate transferase, ...
Authors:Dodge, G.J, Ray, L.C, Das, D, Imperiali, B, Allen, K.N.
Deposit date:2023-02-02
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases.
Protein Sci., 32, 2023
6CFS
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BU of 6cfs by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutation M186Q
Descriptor: MAGNESIUM ION, Phosphomannomutase 1
Authors:Ji, T, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2018-02-17
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018

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數據於2025-07-16公開中

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