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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
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
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
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
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
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
5WFL
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BU of 5wfl by Molmil
Kelch domain of human Keap1 in open unliganded conformation
Descriptor: Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-12
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
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:2024-05-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Michaelis-like complex of mouse ketohexokinase isoform C
ACTA CRYSTALLOGR.,SECT.D, 2024
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
5HI0
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BU of 5hi0 by Molmil
The Substrate Binding Mode and Chemical Basis of a Reaction Specificity Switch in Oxalate Decarboxylase
Descriptor: COBALT (II) ION, OXALATE ION, Oxalate decarboxylase OxdC, ...
Authors:Zhu, W, Easthon, L.M, Reinhardt, L.A, Tu, C, Cohen, S.E, Silverman, D.N, Allen, K.N, Richards, N.G.J.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Substrate Binding Mode and Molecular Basis of a Specificity Switch in Oxalate Decarboxylase.
Biochemistry, 55, 2016
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
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:2023-12-27
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
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:2023-08-16
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
8DB9
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BU of 8db9 by Molmil
Adenosine/guanosine nucleoside hydrolase bound to inhibitor
Descriptor: 1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide, CALCIUM ION, Inosine-uridine preferring nucleoside hydrolase family protein
Authors:Muellers, S.N, Allen, K.N, Stockman, B.J.
Deposit date:2022-06-14
Release date:2022-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Biochemistry, 61, 2022
8DB6
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BU of 8db6 by Molmil
Adenosine/guanosine nucleoside hydrolase
Descriptor: CALCIUM ION, GLYCEROL, Inosine-uridine preferring nucleoside hydrolase family protein
Authors:Muellers, S.N, Allen, K.N, Stockman, B.J.
Deposit date:2022-06-14
Release date:2022-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Biochemistry, 61, 2022
8DB8
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BU of 8db8 by Molmil
Adenosine/guanosine nucleoside hydrolase bound to ImH
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, Inosine-uridine preferring nucleoside hydrolase family protein
Authors:Muellers, S.N, Allen, K.N, Stockman, B.J.
Deposit date:2022-06-14
Release date:2022-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Biochemistry, 61, 2022
8DB7
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BU of 8db7 by Molmil
Adenosine/guanosine nucleoside hydrolase bound to a fragment inhibitor
Descriptor: CALCIUM ION, GLYCEROL, Inosine-uridine preferring nucleoside hydrolase family protein, ...
Authors:Muellers, S.N, Allen, K.N, Stockman, B.J.
Deposit date:2022-06-14
Release date:2022-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Biochemistry, 61, 2022
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
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
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
1CQD
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BU of 1cqd by Molmil
THE 2.1 ANGSTROM STRUCTURE OF A CYSTEINE PROTEASE WITH PROLINE SPECIFICITY FROM GINGER RHIZOME, ZINGIBER OFFICINALE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (PROTEASE II), ...
Authors:Choi, K.H, Laursen, R.A, Allen, K.N.
Deposit date:1999-06-15
Release date:1999-09-28
Last modified:2023-12-27
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
6ALD
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BU of 6ald by Molmil
RABBIT MUSCLE ALDOLASE A/FRUCTOSE-1,6-BISPHOSPHATE COMPLEX
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), FRUCTOSE-1,6-BIS(PHOSPHATE) ALDOLASE
Authors:Choi, K.H, Mazurkie, A.S, Morris, A.J, Utheza, D, Tolan, D.R, Allen, K.N.
Deposit date:1998-12-23
Release date:2000-01-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a fructose-1,6-bis(phosphate) aldolase liganded to its natural substrate in a cleavage-defective mutant at 2.3 A(,).
Biochemistry, 38, 1999

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