2GYI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1XYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1XYL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5V8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v8p by Molmil](/molmil-images/mine/5v8p) | |
5V8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v8u by Molmil](/molmil-images/mine/5v8u) | |
5V8R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5v8r by Molmil](/molmil-images/mine/5v8r) | |
3U3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3R4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
4G9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3LTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ltq by Molmil](/molmil-images/mine/3ltq) | |
3VCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3VDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5HI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5WHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5whl by Molmil](/molmil-images/mine/5whl) | |
5WIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
2RB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rb5 by Molmil](/molmil-images/mine/2rb5) | |
2RAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rav by Molmil](/molmil-images/mine/2rav) | |
2RAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rar by Molmil](/molmil-images/mine/2rar) | |
2RBK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rbk by Molmil](/molmil-images/mine/2rbk) | |
1FEZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fez by Molmil](/molmil-images/mine/1fez) | 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
|
|
6XCB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xcb by Molmil](/molmil-images/mine/6xcb) | |
6XCC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xcc by Molmil](/molmil-images/mine/6xcc) | |
6XCE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xce by Molmil](/molmil-images/mine/6xce) | |
8G1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3FM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fm9 by Molmil](/molmil-images/mine/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: | 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
|
|