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PDB: 175 results

1XJG
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BU of 1xjg by Molmil
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
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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
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BU of 1xjn by Molmil
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
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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
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BU of 1yfd by Molmil
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
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BU of 1xjk by Molmil
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
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BU of 1xjf by Molmil
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
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BU of 6q4s by Molmil
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
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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
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BU of 6qgf by Molmil
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
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BU of 6qlt by Molmil
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
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BU of 6qlo by Molmil
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
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BU of 6qlq by Molmil
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
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BU of 6qlr by Molmil
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
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BU of 6qln by Molmil
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
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BU of 6qls by Molmil
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
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BU of 6qlp by Molmil
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
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BU of 6qlu by Molmil
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
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BU of 6s4g by Molmil
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
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BU of 6rzi by Molmil
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
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BU of 6rzm by Molmil
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
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BU of 6rzj by Molmil
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
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BU of 6rzg by Molmil
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
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BU of 6rzf by Molmil
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
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BU of 6rzk by Molmil
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

221051

數據於2024-06-12公開中

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