3U3H
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![BU of 3u3h by Molmil](/molmil-images/mine/3u3h) | 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
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3R4C
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![BU of 3r4c by Molmil](/molmil-images/mine/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 | 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
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2GYI
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![BU of 2gyi by Molmil](/molmil-images/mine/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: | 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
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1XYM
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![BU of 1xym by Molmil](/molmil-images/mine/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: | 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
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1XYL
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![BU of 1xyl by Molmil](/molmil-images/mine/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: | 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
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5V8P
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![BU of 5v8p by Molmil](/molmil-images/mine/5v8p) | |
5V8U
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![BU of 5v8u by Molmil](/molmil-images/mine/5v8u) | |
5V8R
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4G9B
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![BU of 4g9b by Molmil](/molmil-images/mine/4g9b) | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid | Descriptor: | Beta-phosphoglucomutase, CHLORIDE ION, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-07-23 | Release date: | 2012-08-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of beta-phosphoglucomutase homolog from escherichia coli, target efi-501172, with bound mg, open lid To be Published
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5WHL
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5WIY
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![BU of 5wiy by Molmil](/molmil-images/mine/5wiy) | Kelch domain of human Keap1 bound to small molecule inhibitor fragment: 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione | Descriptor: | 4-amino-1,7-dihydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-20 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.23 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
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5HI0
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![BU of 5hi0 by Molmil](/molmil-images/mine/5hi0) | 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
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3VCA
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![BU of 3vca by Molmil](/molmil-images/mine/3vca) | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman and UV-visible Spectroscopic Analysis of a Rieske-type Demethylase | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, ... | Authors: | Daughtry, K.D, Xiao, Y, Stoner-Ma, D, Cho, E, Orville, A.M, Liu, P, Allen, K.N. | Deposit date: | 2012-01-03 | Release date: | 2012-02-08 | Last modified: | 2012-02-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Quaternary Ammonium Oxidative Demethylation: X-ray Crystallographic, Resonance Raman, and UV-Visible Spectroscopic Analysis of a Rieske-Type Demethylase. J.Am.Chem.Soc., 134, 2012
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3VDZ
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![BU of 3vdz by Molmil](/molmil-images/mine/3vdz) | Tailoring Encodable Lanthanide-Binding Tags as MRI Contrast Agents: xq-dSE3-Ubiquitin at 2.4 Angstroms | Descriptor: | GADOLINIUM ATOM, SULFATE ION, Ubiquitin-40S ribosomal protein S27a | Authors: | Daughtry, K.D, Martin, L.J, Surraju, A, Imperiali, B, Allen, K.N. | Deposit date: | 2012-01-06 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Tailoring encodable lanthanide-binding tags as MRI contrast agents. Chembiochem, 13, 2012
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7N18
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![BU of 7n18 by Molmil](/molmil-images/mine/7n18) | 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
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8G1N
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![BU of 8g1n by Molmil](/molmil-images/mine/8g1n) | 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
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2RB5
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2RAV
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![BU of 2rav by Molmil](/molmil-images/mine/2rav) | |
2RAR
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![BU of 2rar by Molmil](/molmil-images/mine/2rar) | |
6XCB
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![BU of 6xcb by Molmil](/molmil-images/mine/6xcb) | |
6XCC
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3LTQ
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2RBK
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6XCE
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2ODA
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![BU of 2oda by Molmil](/molmil-images/mine/2oda) | 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
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