5ODE
| Structure of a novel oxidoreductase from Gloeobacter violaceus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | Deposit date: | 2017-07-05 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5S9R
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Descriptor: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9O
| CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide, Bromodomain-containing protein 2 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9P
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9Q
| CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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3RS6
| Crystal structure Dioclea virgata lectin in complexed with X-mannose | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin alpha chain, ... | Authors: | Gadelha, C.A.A, Santi-Gadelha, T, Nagano, C.S, Bezerra, E.H.S, Bezerra, M.J.B, Alencar, K.L, Silva-Filho, J.C. | Deposit date: | 2011-05-02 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Dioclea virgata lectin: Relations between carbohydrate binding site and nitric oxide production. Biochimie, 94, 2012
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6NOF
| Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y, Q367S) in complex with 8-nt RNA | Descriptor: | 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | Authors: | McCann, K.L, Wang, Y, Qiu, C, Hall, T.M.T. | Deposit date: | 2019-01-16 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo . Elife, 8, 2019
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6NVQ
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3RRD
| Native structure of Dioclea virgata lectin | Descriptor: | CALCIUM ION, Lectin alpha chain, MANGANESE (II) ION | Authors: | Delatorre, P, Nobrega, R.B, Gadelha, C.A.A, Santi-Gadelha, T, Farias, D.L, Rocha, B.A.M, Cavada, B.S, Nagano, C.S, Bezerra, E.H.S, Bezerra, M.J, Alencar, K.L. | Deposit date: | 2011-04-29 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structure of Dioclea virgata lectin: Relations between carbohydrate binding site and nitric oxide production. Biochimie, 94, 2012
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3Q8G
| Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CRAL-TRIO domain-containing protein YKL091C, GLYCEROL | Authors: | Ortlund, E.A, Schaaf, G, Bankaitis, V.A. | Deposit date: | 2011-01-06 | Release date: | 2011-02-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution. Mol.Biol.Cell, 22, 2011
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5T18
| Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | Descriptor: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | Authors: | Muckelbauer, J.K. | Deposit date: | 2016-08-18 | Release date: | 2017-03-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. J. Med. Chem., 59, 2016
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5N0J
| Structure of a novel oxidoreductase from Gloeobacter violaceus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | Deposit date: | 2017-02-03 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6MB0
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3ORG
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6NYH
| Structure of human RIPK1 kinase domain in complex with GNE684 | Descriptor: | (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | Authors: | Fong, R, Lupardus, P.J. | Deposit date: | 2019-02-11 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases. Cell Death Differ., 27, 2020
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3R7Q
| Structure-based design of thienobenzoxepin inhibitors of PI3- kinase | Descriptor: | N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
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3RA0
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3R9Y
| Crystal Structure of StWhy2 K67A (form I) | Descriptor: | PHOSPHATE ION, Why2 protein | Authors: | Cappadocia, L, Brisson, N, Sygusch, J. | Deposit date: | 2011-03-26 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A conserved lysine residue of plant Whirly proteins is necessary for higher order protein assembly and protection against DNA damage. Nucleic Acids Res., 40, 2012
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3R7R
| Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase | Descriptor: | 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Wiesmann, C. | Deposit date: | 2011-03-22 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 21, 2011
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3R9Z
| Crystal Structure of StWhy2 K67A (form II) | Descriptor: | PHOSPHATE ION, Why2 protein | Authors: | Cappadocia, L, Brisson, N, Sygusch, J. | Deposit date: | 2011-03-26 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.755 Å) | Cite: | A conserved lysine residue of plant Whirly proteins is necessary for higher order protein assembly and protection against DNA damage. Nucleic Acids Res., 40, 2012
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5UAW
| Structure of apo human PYCR-1 crystallized in space group P21212 | Descriptor: | Pyrroline-5-carboxylate reductase 1, mitochondrial, SULFATE ION | Authors: | Tanner, J.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1. J. Biol. Chem., 292, 2017
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5UAT
| Structure of human PYCR-1 complexed with NADPH | Descriptor: | DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1, ... | Authors: | Tanner, J.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1. J. Biol. Chem., 292, 2017
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5UAU
| Structure of human PYCR-1 complexed with proline | Descriptor: | PROLINE, Pyrroline-5-carboxylate reductase 1, mitochondrial, ... | Authors: | Tanner, J.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1. J. Biol. Chem., 292, 2017
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3PQJ
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3Q2L
| Mouse E-cadherin EC1-2 V81D mutant | Descriptor: | CALCIUM ION, Cadherin-1, PENTAETHYLENE GLYCOL | Authors: | Harrison, O.J, Jin, X, Shapiro, L. | Deposit date: | 2010-12-20 | Release date: | 2011-02-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins. Structure, 19, 2011
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