6D9A
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6D99
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6D2E
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6D9B
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6D2G
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6D9C
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6D9D
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3INT
| Structure of UDP-galactopyranose mutase bound to UDP-galactose (reduced) | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, Probable UDP-galactopyranose mutase, ... | Authors: | Gruber, T.D, Kiessling, L.L, Forest, K.T. | Deposit date: | 2009-08-12 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | X-ray crystallography reveals a reduced substrate complex of UDP-galactopyranose mutase poised for covalent catalysis by flavin . Biochemistry, 48, 2009
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3INR
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3GF4
| Structure of UDP-galactopyranose mutase bound to UDP-glucose | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ... | Authors: | Gruber, T.D, Borrok, M.J, Kiessling, L.L, Forest, K.T. | Deposit date: | 2009-02-26 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Ligand binding and substrate discrimination by UDP-galactopyranose mutase. J.Mol.Biol., 391, 2009
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2QW1
| Glucose/galactose binding protein bound to 3-O-methyl D-glucose | Descriptor: | 3-O-methyl-beta-D-glucopyranose, CALCIUM ION, D-galactose-binding periplasmic protein, ... | Authors: | Borrok, M.J, Kiessling, L.L, Forest, K.T. | Deposit date: | 2007-08-09 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of a periplasmic binding protein antagonist that prevents domain closure. Acs Chem.Biol., 4, 2009
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2FW0
| Apo Open Form of Glucose/Galactose Binding Protein | Descriptor: | CALCIUM ION, CITRIC ACID, D-galactose-binding periplasmic protein, ... | Authors: | Borrok, M.J, Kiessling, L.L, Forest, K.T. | Deposit date: | 2006-01-31 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Conformational changes of glucose/galactose-binding protein illuminated by open, unliganded, and ultra-high-resolution ligand-bound structures. Protein Sci., 16, 2007
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2FVY
| High Resolution Glucose Bound Crystal Structure of GGBP | Descriptor: | ACETATE ION, CALCIUM ION, CARBON DIOXIDE, ... | Authors: | Borrok, M.J, Kiessling, L.L, Forest, K.T. | Deposit date: | 2006-01-31 | Release date: | 2007-02-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Conformational changes of glucose/galactose-binding protein illuminated by open, unliganded, and ultra-high-resolution ligand-bound structures. Protein Sci., 16, 2007
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4OTU
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4OTT
| Crystal structure of the gamma-glutamyltranspeptidase from Bacillus licheniformis. | Descriptor: | Gamma glutamyl transpeptidase, Gamma-glutamyltranspeptidase, MAGNESIUM ION | Authors: | Merlino, A. | Deposit date: | 2014-02-14 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Low resolution X-ray structure of gamma-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion. Biochim.Biophys.Acta, 1844, 2014
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6EXI
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6NAO
| Discovery of a high affinity inhibitor of cGAS | Descriptor: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, CYCLIC GMP-AMP SYNTHASE, ZINC ION | Authors: | Hall, J. | Deposit date: | 2018-12-06 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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4Y23
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5V8O
| Discovery of a high affinity inhibitor of cGAS | Descriptor: | 5-phenyltetrazolo[1,5-a]pyrimidin-7-ol, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Hall, J. | Deposit date: | 2017-03-22 | Release date: | 2017-09-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery of PF-06928215 as a high affinity inhibitor of cGAS enabled by a novel fluorescence polarization assay. PLoS ONE, 12, 2017
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8DPX
| Preligand association structure of DR5 | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | Authors: | Du, G, Zhao, L, Chou, J.J. | Deposit date: | 2022-07-17 | Release date: | 2023-02-15 | Method: | SOLUTION NMR | Cite: | Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation. Cell Res., 33, 2023
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1ICH
| SOLUTION STRUCTURE OF THE TUMOR NECROSIS FACTOR RECEPTOR-1 DEATH DOMAIN | Descriptor: | TUMOR NECROSIS FACTOR RECEPTOR-1 | Authors: | Sukits, S.F, Lin, L.-L, Malakian, K, Powers, R, Xu, G.-Y. | Deposit date: | 2001-04-01 | Release date: | 2002-04-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the tumor necrosis factor receptor-1 death domain. J.Mol.Biol., 310, 2001
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5UIS
| Crystal structure of IRAK4 in complex with compound 12 | Descriptor: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Chang, J.S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-24 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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5UIQ
| Crystal structure of IRAK4 in complex with compound 9 | Descriptor: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Chang, J.S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-24 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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5UIT
| Crystal structure of IRAK4 in complex with compound 14 | Descriptor: | 1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}-7-[(propan-2-yl)oxy]isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Chang, J.S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-24 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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5UIU
| Crystal structure of IRAK4 in complex with compound 30 | Descriptor: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Chang, J.S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-24 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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