4WHW
 
 | | Direct photocapture of bromodomains using tropolone chemical probes | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | | Deposit date: | 2014-09-23 | | Release date: | 2015-10-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.345 Å) | | Cite: | Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
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4O1N
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5ZY8
 | | Crystal structure of C terminal truncated HadBC (3R-Hydroxyacyl-ACP Dehydratase) complex from Mycobacterium tuberculosis | | Descriptor: | 3-hydroxyacyl-ACP dehydratase, UPF0336 protein Rv0637 | | Authors: | Singh, B.K, Biswas, R, Bhattacharyya, S, Basak, A, Das, A.K. | | Deposit date: | 2018-05-23 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | The C-terminal end of mycobacterial HadBC regulates AcpM interaction during the FAS-II pathway: a structural perspective.
Febs J., 2022
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1E7N
 | | The N-terminal domain of beta-B2-crystallin resembles the putative ancestral homodimer | | Descriptor: | BETA-CRYSTALLIN B2 | | Authors: | Clout, N.J, Basak, A, Wieligmann, K, Bateman, O.A, Jaenicke, R, Slingsby, C. | | Deposit date: | 2000-08-31 | | Release date: | 2000-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The N-Terminal Domain of Betab2-Crystallin Resembles the Putative Ancestral Homodimer.
J.Mol.Biol., 304, 2000
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7EB1
 | | Solution NMR structure of the RRM domain of RNA binding protein RBM3 from homo sapiens | | Descriptor: | RNA-binding protein 3 | | Authors: | Boral, S, Roy, S, Basak, A.J, Maiti, S, Lee, W, De, S. | | Deposit date: | 2021-03-08 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural and dynamic studies of the human RNA binding protein RBM3 reveals the molecular basis of its oligomerization and RNA recognition.
Febs J., 289, 2022
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2YGT
 | | Clostridium perfringens delta-toxin | | Descriptor: | DELTA TOXIN, GLYCEROL, IMIDAZOLE, ... | | Authors: | Huyet, J, Naylor, C.E, Gibert, M, Popoff, M.R, Basak, A.K. | | Deposit date: | 2011-04-20 | | Release date: | 2012-05-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Insights Into Clostridium Perfringens Delta Toxin Pore Formation.
Plos One, 8, 2013
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3S41
 | | Glucokinase in complex with activator and glucose | | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2011-05-18 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
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4GDY
 | | Kynurenine Aminotransferase II inhibitors | | Descriptor: | (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics
MEDCHEMCOMM, 2012
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4RV2
 | | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium smegmatis | | Descriptor: | MaoC family protein, SULFATE ION, UPF0336 protein MSMEG_1340/MSMEI_1302 | | Authors: | Biswas, R, Hazra, D, Dutta, D, Das, A.K. | | Deposit date: | 2014-11-24 | | Release date: | 2015-02-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of dehydratase component HadAB complex of mycobacterial FAS-II pathway.
Biochem.Biophys.Res.Commun., 458, 2015
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4WHU
 | | BROMO domain of CREB binding protein | | Descriptor: | 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, CREB-binding protein | | Authors: | Liu, S. | | Deposit date: | 2014-09-23 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
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6DMJ
 | | A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | | Descriptor: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | | Authors: | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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5CFW
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5CGP
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6BBU
 | | Crystal Structure of JAK1 in complex with compound 25 | | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | | Authors: | Han, S. | | Deposit date: | 2017-10-19 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
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6BBV
 | | Crystal Structure of JAK2 in complex with compound 25 | | Descriptor: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Han, S. | | Deposit date: | 2017-10-19 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
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