3U5K
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![BU of 3u5k by Molmil](/molmil-images/mine/3u5k) | Crystal Structure of the first bromodomain of human BRD4 in complex with Midazolam | Descriptor: | 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-10-11 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family. Bioorg.Med.Chem., 20, 2012
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3TL3
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3TZ9
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![BU of 3tz9 by Molmil](/molmil-images/mine/3tz9) | Kinase domain of cSrc in complex with RL130 | Descriptor: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Gruetter, C, Richters, A, Rauh, D. | Deposit date: | 2011-09-27 | Release date: | 2012-10-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design To be Published
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3U1H
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3U5J
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![BU of 3u5j by Molmil](/molmil-images/mine/3u5j) | Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam | Descriptor: | 1,2-ETHANEDIOL, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-10-11 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family. Bioorg.Med.Chem., 20, 2012
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3T8S
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![BU of 3t8s by Molmil](/molmil-images/mine/3t8s) | Apo and InsP3-bound Crystal Structures of the Ligand-Binding Domain of an InsP3 Receptor | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Lin, C, Baek, K, Lu, Z. | Deposit date: | 2011-08-01 | Release date: | 2011-09-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.77 Å) | Cite: | Apo and InsP(3)-bound crystal structures of the ligand-binding domain of an InsP(3) receptor. Nat.Struct.Mol.Biol., 18, 2011
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3TAV
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3TFT
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![BU of 3tft by Molmil](/molmil-images/mine/3tft) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, pre-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Geders, T.W, Finzel, B.C. | Deposit date: | 2011-08-16 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis. J.Am.Chem.Soc., 133, 2011
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3TFU
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![BU of 3tfu by Molmil](/molmil-images/mine/3tfu) | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, post-reaction complex with a 3,6-dihydropyrid-2-one heterocycle inhibitor | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DIMETHYL SULFOXIDE, [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate | Authors: | Geders, T.W, Finzel, B.C. | Deposit date: | 2011-08-16 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanism-based Inactivation by Aromatization of the Transaminase BioA Involved in Biotin Biosynthesis in Mycobaterium tuberculosis. J.Am.Chem.Soc., 133, 2011
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3TCQ
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![BU of 3tcq by Molmil](/molmil-images/mine/3tcq) | Crystal Structure of matrix protein VP40 from Ebola virus Sudan | Descriptor: | Matrix protein VP40 | Authors: | Clifton, M.C, Edwards, T.E, Anderson, V, Atkins, K, Raymond, A, Saphire, E.O, Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2011-08-09 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-resolution Crystal Structure of Dimeric VP40 From Sudan ebolavirus. J Infect Dis, 212 Suppl 2, 2015
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3U5L
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![BU of 3u5l by Molmil](/molmil-images/mine/3u5l) | Crystal Structure of the first bromodomain of human BRD4 in complex with a benzo-triazepine ligand (BzT-7) | Descriptor: | 1,2-ETHANEDIOL, 8-chloro-1,4-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-10-11 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family. Bioorg.Med.Chem., 20, 2012
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3TJR
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3TL6
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3U8O
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![BU of 3u8o by Molmil](/molmil-images/mine/3u8o) | Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. | Deposit date: | 2011-10-17 | Release date: | 2012-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors. Plos One, 7, 2012
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3TYY
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![BU of 3tyy by Molmil](/molmil-images/mine/3tyy) | Crystal Structure of Human Lamin-B1 Coil 2 Segment | Descriptor: | Lamin-B1 | Authors: | Lam, R, Xu, C, Bian, C.B, Mackenzie, F, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2011-09-26 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Crystal structures of the coil 2B fragment and the globular tail domain of human lamin B1. Febs Lett., 586, 2012
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3U40
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![BU of 3u40 by Molmil](/molmil-images/mine/3u40) | Crystal structure of a purine nucleoside phosphorylase from Entamoeba histolytica bound to adenosine | Descriptor: | ADENOSINE, NITRATE ION, PHOSPHATE ION, ... | Authors: | Edwards, T.E, Gardberg, A.S, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2011-10-06 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Expression of proteins in Escherichia coli as fusions with maltose-binding protein to rescue non-expressed targets in a high-throughput protein-expression and purification pipeline. Acta Crystallogr.,Sect.F, 67, 2011
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3U9O
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3TM2
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![BU of 3tm2 by Molmil](/molmil-images/mine/3tm2) | Crystal structure of mature ThnT with a covalently bound product mimic | Descriptor: | (2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide, cysteine transferase | Authors: | Schildbach, J.F, Wright, N.T, Buller, A.R. | Deposit date: | 2011-08-30 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis. J.Mol.Biol., 422, 2012
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3U0X
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3UCX
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3UK3
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![BU of 3uk3 by Molmil](/molmil-images/mine/3uk3) | Crystal structure of ZNF217 bound to DNA | Descriptor: | 5'-D(*AP*AP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', CHLORIDE ION, ... | Authors: | Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P. | Deposit date: | 2011-11-08 | Release date: | 2012-12-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rediscovering DNA recognition by classical Zinc Fingers. To be Published
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3S71
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3SLG
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3SB8
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![BU of 3sb8 by Molmil](/molmil-images/mine/3sb8) | Cu-mediated Dimer of T4 Lysozyme D61H/K65H by Synthetic Symmetrization | Descriptor: | COPPER (II) ION, Lysozyme | Authors: | Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-03 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3S91
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![BU of 3s91 by Molmil](/molmil-images/mine/3s91) | Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, Bromodomain-containing protein 3, ISOPROPYL ALCOHOL | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-31 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal Structure of the first bromodomain of human BRD3 in complex with the inhibitor JQ1 To be Published
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