6ESD
| Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | Deposit date: | 2017-10-20 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A semi-synthetic strategy for derivatization of the violacein natural product scaffold Biorxiv, 2017
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9EYU
| Human PRMT5 in complex with AZ compound 1 | Descriptor: | (1~{S})-2-[(2-carbamimidamido-1,3-thiazol-5-yl)methyl]-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | Authors: | Debreczeni, J. | Deposit date: | 2024-04-09 | Release date: | 2024-08-14 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYW
| Human PRMT5 in complex with AZ compound 21 | Descriptor: | (3~{S})-2-[(5-azanyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | Authors: | Debreczeni, J. | Deposit date: | 2024-04-09 | Release date: | 2024-08-14 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYX
| Human PRMT5 in complex with AZ compound 28 | Descriptor: | (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | Authors: | Debreczeni, J. | Deposit date: | 2024-04-09 | Release date: | 2024-08-14 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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9EYV
| Human PRMT5 in complex with AZ compound 12 | Descriptor: | (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | Authors: | Debreczeni, J. | Deposit date: | 2024-04-09 | Release date: | 2024-08-14 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity. J.Med.Chem., 67, 2024
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6FW7
| Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 4-Fluoro-L-Tryptophan | Descriptor: | 4-FLUOROTRYPTOPHANE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | Deposit date: | 2018-03-05 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A GenoChemetic strategy for derivatization of the violacein natural product scaffold Biorxiv, 2019
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6FW9
| Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 6-Fluoro-L-Tryptophan | Descriptor: | 6-FLUORO-L-TRYPTOPHAN, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | Deposit date: | 2018-03-05 | Release date: | 2019-02-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.739 Å) | Cite: | A GenoChemetic strategy for derivatization of the violacein natural product scaffold Biorxiv, 2019
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6FWA
| Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 7-Methyl-L-Tryptophan | Descriptor: | 7-Methyl-L-Tryptophan, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | Deposit date: | 2018-03-05 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.846 Å) | Cite: | A GenoChemetic strategy for derivatization of the violacein natural product scaffold Biorxiv, 2019
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6FW8
| Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 5-Methyl-L-Tryptophan | Descriptor: | 5-methyl-L-tryptophan, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | Deposit date: | 2018-03-05 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A GenoChemetic strategy for derivatization of the violacein natural product scaffold Biorxiv, 2019
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6G2P
| Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with L-tryptophan | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ... | Authors: | Lai, H.E, Morgan, M, Moore, S, Freemont, P. | Deposit date: | 2018-03-23 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A semi-synthetic strategy for derivatization of the violacein natural product scaffold Biorxiv, 2018
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6DV5
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7M2K
| CDC34A-Ubiquitin-2ab inhibitor complex | Descriptor: | 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1 | Authors: | Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F. | Deposit date: | 2021-03-16 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex. Sci Adv, 7, 2021
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2DNJ
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3DNI
| CRYSTALLOGRAPHIC REFINEMENT AND STRUCTURE OF DNASE I AT 2 ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, DEOXYRIBONUCLEASE I, alpha-D-galactopyranose-(1-6)-beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Oefner, C, Suck, D. | Deposit date: | 1992-08-20 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic refinement and structure of DNase I at 2 A resolution. J.Mol.Biol., 192, 1986
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1DNK
| THE X-RAY STRUCTURE OF THE DNASE I-D(GGTATACC)2 COMPLEX AT 2.3 ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*GP*GP*TP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3'), ... | Authors: | Weston, S.A, Lahm, A, Suck, D. | Deposit date: | 1992-08-10 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray structure of the DNase I-d(GGTATACC)2 complex at 2.3 A resolution. J.Mol.Biol., 226, 1992
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6NPE
| C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | Descriptor: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | Authors: | campobasso, N. | Deposit date: | 2019-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies. J. Med. Chem., 62, 2019
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6NPV
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6NPU
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3PYY
| Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | Descriptor: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | Authors: | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | Deposit date: | 2010-12-13 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site. Chem.Biol., 18, 2011
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