1XJG
| Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dATP-UDP complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P. | Deposit date: | 2004-09-23 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Mechanism of Allosteric Substrate Specificity Regulation in a Ribonucleotide Reductase Nat.Struct.Mol.Biol., 11, 2004
|
|
1XJJ
| Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dGTP complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ribonucleotide reductase, ... | Authors: | Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P. | Deposit date: | 2004-09-23 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Mechanism of Allosteric Substrate Specificity Regulation in a Ribonucleotide Reductase Nat.Struct.Mol.Biol., 11, 2005
|
|
1XJN
| Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dATP-CDP complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ... | Authors: | Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P. | Deposit date: | 2004-09-23 | Release date: | 2005-12-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Mechanism of Allosteric Substrate Specificity Regulation in a Ribonucleotide Reductase Nat.Struct.Mol.Biol., 11, 2004
|
|
1XJM
| Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dTTP complex | Descriptor: | MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE, ribonucleotide reductase, ... | Authors: | Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P. | Deposit date: | 2004-09-23 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase. Nat.Struct.Mol.Biol., 11, 2004
|
|
1YFD
| Crystal structure of the Y122H mutant of ribonucleotide reductase R2 protein from E. coli | Descriptor: | MERCURY (II) ION, MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1 beta chain | Authors: | Kolberg, M, Logan, D.T, Bleifuss, G, Poetsch, S, Sjoeberg, B.M, Graeslund, A, Lubitz, W, Lassmann, G, Lendzian, F. | Deposit date: | 2004-12-31 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A new tyrosyl radical on Phe208 as ligand to the diiron center in Escherichia coli ribonucleotide reductase, mutant R2-Y122H. Combined x-ray diffraction and EPR/ENDOR studies J.Biol.Chem., 280, 2005
|
|
1XJK
| Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dGTP-ADP complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P. | Deposit date: | 2004-09-23 | Release date: | 2005-11-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase. Nat.Struct.Mol.Biol., 11, 2004
|
|
1XJF
| Structural mechanism of allosteric substrate specificity in a ribonucleotide reductase: dATP complex | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, ribonucleotide reductase, ... | Authors: | Larsson, K.-M, Jordan, A, Eliasson, R, Reichard, P, Logan, D.T, Nordlund, P. | Deposit date: | 2004-09-23 | Release date: | 2005-12-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural mechanism of allosteric substrate specificity regulation in a ribonucleotide reductase. Nat.Struct.Mol.Biol., 11, 2004
|
|
6Q4S
| Crystal structure of a-eudesmol synthase | Descriptor: | CHLORIDE ION, Pentalenene synthase | Authors: | Correia Cordeiro, R.S, Hakansson, M, Logan, D.T, Kourist, R. | Deposit date: | 2018-12-06 | Release date: | 2018-12-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of three novel sesquiterpene synthases from Streptomyces chartreusis NRRL 3882 and crystal structure of an alpha-eudesmol synthase. J.Biotechnol., 297, 2019
|
|
6QGE
| Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
|
|
6QGF
| Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
|
|
6QLT
| Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-7 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, DI(HYDROXYETHYL)ETHER, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6QLO
| Galectin-3C in complex with substituted fluoroaryltriazole monothiogalactoside derivative 1 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6QLQ
| Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 4 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.079 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6QLR
| Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6QLN
| Galectin-3C in complex with fluoroaryl triazole monothiogalactoside derivative 2 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6QLS
| Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 6 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.047 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6QLP
| Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 3 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3, ... | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.081 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6QLU
| Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-8 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
|
|
6S4G
| Crystal structure of the omega transaminase from Chromobacterium violaceum in complex with PMP | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ruggieri, F, Campillo Brocal, J.C, Humble, M.S, Walse, B, Logan, D.T, Berglund, P. | Deposit date: | 2019-06-27 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase. Sci Rep, 9, 2019
|
|
6RZI
| Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.095 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
|
|
6RZM
| Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:5(Iodine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.345 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
|
|
6RZJ
| Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:2(Fluorine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
|
|
6RZG
| Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.015 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
|
|
6RZF
| Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.016 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
|
|
6RZK
| Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:3(Chlorine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.046 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
|
|