8EED
| |
8EEE
| |
8EEZ
| |
8EF0
| |
8EF1
| |
8EF2
| |
6ZGC
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Saracatinib (AZD0530) | Descriptor: | Activin receptor type I, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, PHOSPHATE ION, ... | Authors: | Williams, E.P, Galan Bartual, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2020-06-18 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Saracatinib is an efficacious clinical candidate for fibrodysplasia ossificans progressiva. JCI Insight, 6, 2021
|
|
5KJF
| V222I horse liver alcohol dehydrogenase complexed with NAD+ and trifluoroethanol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ... | Authors: | Plapp, B.V. | Deposit date: | 2016-06-18 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Contribution of buried distal amino acid residues in horse liver alcohol dehydrogenase to structure and catalysis. Protein Sci., 27, 2018
|
|
5KJ6
| V197I Horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V. | Deposit date: | 2016-06-17 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Contribution of buried distal amino acid residues in horse liver alcohol dehydrogenase to structure and catalysis. Protein Sci., 27, 2018
|
|
5KJC
| V222I horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V. | Deposit date: | 2016-06-18 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Contribution of buried distal amino acid residues in horse liver alcohol dehydrogenase to structure and catalysis. Protein Sci., 27, 2018
|
|
8RPP
| |
5C0N
| |
3KXZ
| The complex crystal structure of LCK with a probe molecule w259 | Descriptor: | 3-[7-[(3-hydroxyphenyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]-N-(1-hydroxy-2,2,6,6-tetramethyl-piperidin-4-yl)benzamide, CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, ... | Authors: | Xu, Z.B, Moy, F.J, Kelleher, K, Mosyak, L, Protein Structure Factory (PSF) | Deposit date: | 2009-12-04 | Release date: | 2010-06-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance. J.Med.Chem., 53, 2010
|
|
5UIR
| Crystal structure of IRAK4 in complex with compound 11 | Descriptor: | 5-(4-cyanophenyl)-3-[(propan-2-yl)oxy]naphthalene-2-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 (2.64 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
|
|
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
|
|
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
|
|
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: | 2017-07-26 | 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
|
|
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
|
|
6ICI
| Crystal structure of human MICAL3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, [F-actin]-monooxygenase MICAL3 | Authors: | Hwang, K.Y, Kim, J.S. | Deposit date: | 2018-09-06 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and kinetic insights into flavin-containing monooxygenase and calponin-homology domains in human MICAL3. Iucrj, 7, 2020
|
|
3ETA
| Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor | Descriptor: | 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea, insulin receptor, kinase domain | Authors: | Patnaik, S, Stevens, K, Gerding, R, Deanda, F, Shotwell, B, Tang, J, Hamajima, T, Nakamura, H, Leesnitzer, A, Hassell, A, Shewchuk, L, Kumar, R, Lei, H, Chamberlain, S. | Deposit date: | 2008-10-07 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase. Bioorg.Med.Chem.Lett., 19, 2009
|
|
2DF6
| |
5KJE
| F322L horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V. | Deposit date: | 2016-06-18 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Contribution of buried distal amino acid residues in horse liver alcohol dehydrogenase to structure and catalysis. Protein Sci., 27, 2018
|
|
3DHW
| Crystal structure of methionine importer MetNI | Descriptor: | D-methionine transport system permease protein metI, Methionine import ATP-binding protein metN | Authors: | Rees, D.C, Kaiser, J.T, Kadaba, N.S, Johnson, E, Lee, A.T. | Deposit date: | 2008-06-18 | Release date: | 2008-08-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | The high-affinity E. coli methionine ABC transporter: structure and allosteric regulation. Science, 321, 2008
|
|
3DHX
| Crystal structure of isolated C2 domain of the methionine uptake transporter | Descriptor: | IODIDE ION, Methionine import ATP-binding protein metN | Authors: | Johnson, E, Kaiser, J.T, Lee, A.T, Rees, D.C. | Deposit date: | 2008-06-18 | Release date: | 2008-08-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The high-affinity E. coli methionine ABC transporter: structure and allosteric regulation. Science, 321, 2008
|
|
4OGM
| MBP-fusion protein of PilA1 residues 26-159 | Descriptor: | Maltose ABC transporter periplasmic protein, pilin protein chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Piepenbrink, K.H, Sundberg, E.J. | Deposit date: | 2014-01-16 | Release date: | 2015-01-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.234 Å) | Cite: | Structural and Evolutionary Analyses Show Unique Stabilization Strategies in the Type IV Pili of Clostridium difficile. Structure, 23, 2015
|
|