8UG3
 
 | | Crystal structure of KHK-C and compound 23 | | Descriptor: | 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, GLYCEROL, Ketohexokinase, ... | | Authors: | Durbin, J.D, Guo, S.Y. | | Deposit date: | 2023-10-05 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor.
J.Med.Chem., 66, 2023
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2W3P
 | | BoxC crystal structure | | Descriptor: | BENZOYL-COA-DIHYDRODIOL LYASE, BETA-MERCAPTOETHANOL, GLYCEROL | | Authors: | Bains, J, Boulanger, M.J. | | Deposit date: | 2008-11-13 | | Release date: | 2009-04-14 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Biophysical Characterization of Boxc from Burkholderia Xenovorans Lb400: A Novel Ring-Cleaving Enzyme in the Crotonase Superfamily.
J.Biol.Chem., 284, 2009
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4LRR
 | | Ternary complex between E. coli thymidylate synthase, dUMP, and F9 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ... | | Authors: | Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P. | | Deposit date: | 2013-07-20 | | Release date: | 2013-11-06 | | Last modified: | 2013-12-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | 2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives.
J.Med.Chem., 56, 2013
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1BRO
 | | BROMOPEROXIDASE A2 | | Descriptor: | BROMOPEROXIDASE A2 | | Authors: | Hecht, H.J, Sobek, H, Haag, T, Pfeifer, O, Van Pee, K.H. | | Deposit date: | 1996-06-01 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The metal-ion-free oxidoreductase from Streptomyces aureofaciens has an alpha/beta hydrolase fold.
Nat.Struct.Biol., 1, 1994
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2EWS
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3RRY
 | | H-Ras crosslinked control, soaked in aqueous solution: one of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RSO
 | | H-Ras soaked in 20% S,R,S-bisfuranol: 1 of 10 in MSCS set | | Descriptor: | (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, CALCIUM ION, GTPase HRas, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RS4
 | | H-Ras soaked in 60% 1,6-hexanediol: 1 of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, HEXANE-1,6-DIOL, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RS3
 | | H-Ras soaked in neat hexane: 1 of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, HEXANE, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RSL
 | | H-Ras soaked in 90% R,S,R-bisfuranol: one of 10 in MSCS set | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol, CALCIUM ION, GTPase HRas, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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2I7N
 | | Crystal structure of human PANK1 alpha: the catalytic core domain in complex with AcCoA | | Descriptor: | ACETYL COENZYME *A, Pantothenate kinase 1 | | Authors: | Hong, B.S, Wang, L, Tempel, W, Loppnau, P, Allali-Hassani, A, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H.W. | | Deposit date: | 2006-08-31 | | Release date: | 2006-12-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder.
J.Biol.Chem., 282, 2007
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2I7P
 | | Crystal structure of human PANK3 in complex with AcCoA | | Descriptor: | ACETYL COENZYME *A, Pantothenate kinase 3 | | Authors: | Hong, B.S, Wang, L, Shen, L, Tempel, W, Loppnau, P, Finerty, P, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-08-31 | | Release date: | 2006-12-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder.
J.Biol.Chem., 282, 2007
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2H3G
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3RS0
 | | H-Ras soaked in neat cyclopentanol: one of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RS2
 | | H-Ras soaked in 50% 2,2,2-trifluoroethanol: one of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.836 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RS7
 | | H-Ras soaked in 50% isopropanol: 1 of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RRZ
 | | H-Ras in 70% glycerol: one of 10 in MSCS set | | Descriptor: | CALCIUM ION, GLYCEROL, GTPase HRas, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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3RS5
 | | H-Ras soaked in 55% dimethylformamide: 1 of 10 in MSCS set | | Descriptor: | CALCIUM ION, DIMETHYLFORMAMIDE, GTPase HRas, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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