5TPX
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![BU of 5tpx by Molmil](/molmil-images/mine/5tpx) | Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound | Descriptor: | (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ... | Authors: | Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2016-10-21 | Release date: | 2017-01-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a PCAF Bromodomain Chemical Probe. Angew. Chem. Int. Ed. Engl., 56, 2017
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2WEL
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![BU of 2wel by Molmil](/molmil-images/mine/2wel) | Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin | Descriptor: | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Pike, A.C.W, Rellos, P, Salah, E, Burgess-Brown, N, Keates, T, Muniz, J, Sethi, R, Roos, A, Filippakopoulos, P, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Bountra, C, Knapp, S. | Deposit date: | 2009-03-31 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the Camkiidelta/Calmodulin Complex Reveals the Molecular Mechanism of Camkii Kinase Activation. Plos Biol., 8, 2010
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6MIW
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![BU of 6miw by Molmil](/molmil-images/mine/6miw) | WWE domain of human HUWE1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, E3 ubiquitin-protein ligase HUWE1, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Loppnau, P, Tempel, W, Wong, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-20 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | WWE domain of human HUWE1 To Be Published
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5U4X
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![BU of 5u4x by Molmil](/molmil-images/mine/5u4x) | Coactivator-associated arginine methyltransferase 1 with TP-064 | Descriptor: | Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-12-06 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma. Oncotarget, 9, 2018
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3JZG
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![BU of 3jzg by Molmil](/molmil-images/mine/3jzg) | Structure of EED in complex with H3K27me3 | Descriptor: | HISTONE PEPTIDE, Polycomb protein EED | Authors: | Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-23 | Release date: | 2009-12-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
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2VZE
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![BU of 2vze by Molmil](/molmil-images/mine/2vze) | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP | Descriptor: | ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, ADENOSINE MONOPHOSPHATE, ... | Authors: | Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U. | Deposit date: | 2008-07-31 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A. J.Mol.Biol., 388, 2009
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3K2O
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![BU of 3k2o by Molmil](/molmil-images/mine/3k2o) | Structure of an oxygenase | Descriptor: | ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ... | Authors: | Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-30 | Release date: | 2009-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6. J.Mol.Biol., 401, 2010
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5T3P
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![BU of 5t3p by Molmil](/molmil-images/mine/5t3p) | Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7 | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal coenzyme A diphosphatase NUDT7 | Authors: | Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Kopec, J, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K. | Deposit date: | 2016-08-26 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7 To Be Published
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5MYV
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![BU of 5myv by Molmil](/molmil-images/mine/5myv) | Crystal structure of SRPK2 in complex with compound 1 | Descriptor: | 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, DIMETHYL SULFOXIDE, SRSF protein kinase 2,SRSF protein kinase 2, ... | Authors: | Chaikuad, A, Pike, A.C.W, Savitsky, P, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-29 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease. ACS Chem. Biol., 12, 2017
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5FE5
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![BU of 5fe5 by Molmil](/molmil-images/mine/5fe5) | Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7) | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE4
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![BU of 5fe4 by Molmil](/molmil-images/mine/5fe4) | Crystal structure of human PCAF bromodomain in complex with fragment MB364 (fragment 5) | Descriptor: | 1,2-ETHANEDIOL, 2,3-dihydro-1,4-benzodioxine-5-carboxamide, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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6ZGC
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![BU of 6zgc by Molmil](/molmil-images/mine/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
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6NIM
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![BU of 6nim by Molmil](/molmil-images/mine/6nim) | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine | Descriptor: | Bromodomain factor 2 protein, Bromosporine, SULFATE ION, ... | Authors: | Lin, Y.H, Dong, A, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Vedadi, M, Harding, R, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-29 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Trypanosoma cruzi - BDF2, TcCLB.506553.20, solved with bromosporine to be published
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5FE1
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![BU of 5fe1 by Molmil](/molmil-images/mine/5fe1) | Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1) | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE8
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![BU of 5fe8 by Molmil](/molmil-images/mine/5fe8) | Crystal structure of human PCAF bromodomain in complex with compound SL1126 (compound 12) | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone acetyltransferase KAT2B, ... | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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6NFT
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![BU of 6nft by Molmil](/molmil-images/mine/6nft) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (4-oxoquinazolin-3(4H)-yl)acetic acid | Descriptor: | (4-oxoquinazolin-3(4H)-yl)acetic acid, 1,2-ETHANEDIOL, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Mann, M.K, Tempel, W, Bountra, C, Arrowmsmith, C.M, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-20 | Release date: | 2019-01-02 | Last modified: | 2021-06-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6NFX
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![BU of 6nfx by Molmil](/molmil-images/mine/6nfx) | MBTD1 MBT repeats | Descriptor: | GLYCEROL, MBT domain-containing protein 1,Enhancer of polycomb homolog 1, SODIUM ION, ... | Authors: | Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-21 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for EPC1-Mediated Recruitment of MBTD1 into the NuA4/TIP60 Acetyltransferase Complex. Cell Rep, 30, 2020
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3K26
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![BU of 3k26 by Molmil](/molmil-images/mine/3k26) | Complex structure of EED and trimethylated H3K4 | Descriptor: | HISTONE PEPTIDE, Polycomb protein EED | Authors: | Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-29 | Release date: | 2009-12-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
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3K27
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![BU of 3k27 by Molmil](/molmil-images/mine/3k27) | Complex structure of EED and trimethylated H3K9 | Descriptor: | HISTONE PEPTIDE, Polycomb protein EED | Authors: | Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-29 | Release date: | 2009-12-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
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3JPX
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![BU of 3jpx by Molmil](/molmil-images/mine/3jpx) | EED: A Novel Histone Trimethyllysine Binder Within The EED-EZH2 Polycomb Complex | Descriptor: | HISTONE PEPTIDE, Polycomb protein EED | Authors: | Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-04 | Release date: | 2009-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2). Proc.Natl.Acad.Sci.USA, 107, 2010
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6NP7
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![BU of 6np7 by Molmil](/molmil-images/mine/6np7) | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) | Descriptor: | Bromodomain factor 2 protein | Authors: | Lin, Y.H, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Harding, R.J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-17 | Release date: | 2019-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Trypanosoma cruzi bromodomain BDF2 (TcCLB.506553.20) to be published
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3KVO
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![BU of 3kvo by Molmil](/molmil-images/mine/3kvo) | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) | Descriptor: | Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ugochukwu, E, Bhatia, C, Huang, J, Pilka, E, Muniz, J.R.C, Pike, A.C.W, Krojer, T, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Verdin, E.M, Oppermann, U, Kavanagh, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2) To be Published
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5FDZ
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![BU of 5fdz by Molmil](/molmil-images/mine/5fdz) | Crystal structure of human PCAF bromodomain in complex with compound BDOMB00091a (compound 14) | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE3
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![BU of 5fe3 by Molmil](/molmil-images/mine/5fe3) | Crystal structure of human PCAF bromodomain in complex with fragment MB360 (fragment 4) | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1,2-benzoxazol-3-amine, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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7W30
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![BU of 7w30 by Molmil](/molmil-images/mine/7w30) | Tudor domain of SMN in complex with a small molecule | Descriptor: | 1,2-dimethylquinolin-4-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | Authors: | Li, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Liu, Y, Min, J. | Deposit date: | 2021-11-24 | Release date: | 2022-10-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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