5BT3
 
 | | Crystal structure of EP300 bromodomain in complex with SGC-CBP30 chemical probe | | Descriptor: | 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase p300, ISOPROPYL ALCOHOL | | Authors: | Tallant, C, Hay, D, Krojer, T, Nunez-Alonso, G, Picaud, S, Newman, J.A, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-06-02 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Crystal structure of EP300 bromodomain in complex with a 3,5-dimethylisoxazol ligand
To Be Published
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5C8G
 | | Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536 | | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, PP-BRD20, UNKNOWN ATOM OR ION | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Hou, C.F.D, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amain, M, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-06-25 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure Analysis of PP-BRD20 from Tb427tmp
to be published
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6C1A
 | | MBD2 in complex with methylated DNA | | Descriptor: | Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION, complement to dna strand 1, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-04 | | Release date: | 2018-02-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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6C1T
 | | MBD2 in complex with a partially methylated DNA | | Descriptor: | 12-mer DNA, GLYCEROL, Methyl-CpG-binding domain protein 2, ... | | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-05 | | Release date: | 2018-02-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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6C1Y
 | | mbd of human mecp2 in complex with methylated DNA | | Descriptor: | 12-mer DNA, Methyl-CpG-binding protein 2, UNKNOWN ATOM OR ION | | Authors: | Liu, K, Bian, C, Tempel, W, Wernimont, A.K, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-05 | | Release date: | 2018-02-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain.
Biochim Biophys Acta Gene Regul Mech, 1862, 2019
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6CEV
 | | MBD3 MBD in complex with methylated, non-palindromic CpG DNA: alternative interpretation of crystallographic data | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 3, ... | | Authors: | Liu, K, Tempel, W, Wernimont, A.K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-12 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Structural analyses reveal that MBD3 is a methylated CG binder.
Febs J., 286, 2019
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4YWQ
 | | Crystal structure of the ROQ domain of human Roquin-1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Dong, A, Zhang, Q, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-20 | | Release date: | 2015-04-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the ROQ domain of human Roquin-1
To be Published
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4V0P
 | | Crystal structure of the MAGE homology domain of human MAGE-A3 | | Descriptor: | MELANOMA-ASSOCIATED ANTIGEN 3 | | Authors: | Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2014-09-17 | | Release date: | 2014-10-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
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4ZGC
 | | Crystal Structure Analysis of Kelch protein (with disulfide bond) from Plasmodium falciparum | | Descriptor: | Kelch protein, UNKNOWN ATOM OR ION | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-04-22 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of kelch protein with disulfide bond from Plasmodium falciparum.
to be published
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3CC6
 | | Crystal structure of kinase domain of protein tyrosine kinase 2 beta (PTK2B) | | Descriptor: | GLYCEROL, MAGNESIUM ION, Protein tyrosine kinase 2 beta | | Authors: | Busam, R.D, Lehtio, L, Karlberg, T, Arrowsmith, C.H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-25 | | Release date: | 2008-03-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Protein Tyrosine Kinase 2 Beta (PTK2B) Kinase domain.
To be Published
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5WPB
 | | Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-04 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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3C5C
 | | Crystal structure of human Ras-like, family 12 protein in complex with GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAS-like protein 12, ... | | Authors: | Shen, L, Tong, Y, Tempel, W, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-31 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of human Ras-like, family 12 protein in complex with GDP.
To be Published
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3CE7
 | | Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510 | | Descriptor: | Specific mitochondrial acyl carrier protein | | Authors: | Wernimont, A.K, Dong, A, Yang, C, Khuu, C, Lam, A, Brand, V, Kozieradzki, I, Cossar, D, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-02-28 | | Release date: | 2008-03-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of toxoplasma specific mitochondrial acyl carrier protein, 59.m03510.
To be Published
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6XKB
 | | Crystal structure of SR-related and CTD-associated factor 4(SCAF4-CID)with peptide S2,S5p-CTD | | Descriptor: | S2,S5p-CTD peptide, SR-related and CTD-associated factor 4, UNKNOWN ATOM OR ION | | Authors: | Zhou, M.Q, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-26 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the recognition of the S2, S5-phosphorylated RNA polymerase II CTD by the mRNA anti-terminator protein hSCAF4.
Febs Lett., 596, 2022
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4X1V
 | | Crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 76-91) from human ARAP1 | | Descriptor: | Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, CD2-associated protein | | Authors: | Rouka, E, Krojer, T, von Delft, F, Knapp, S, Kirsch, K.H, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Simister, P.C. | | Deposit date: | 2014-11-25 | | Release date: | 2016-02-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 76-91) from human ARAP1
to be published
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4Z0O
 | | CW-type zinc finger of ZCWPW2 with F78D mutation | | Descriptor: | SODIUM ION, UNKNOWN ATOM OR ION, ZINC ION, ... | | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-26 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | CW-type zinc finger of ZCWPW2 with F78D mutation
To be Published
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4Z02
 | | Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, UNKNOWN ATOM OR ION, ... | | Authors: | DONG, A, IQBAL, A, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-25 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid
to be published
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4YY8
 | | Crystal Structure Analysis of Kelch protein from Plasmodium falciparum | | Descriptor: | GLYCEROL, Kelch protein, UNKNOWN ATOM OR ION | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, El Bakkouri, M, Senisterra, G, Osman, K.T, Lovato, D.V, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-03-23 | | Release date: | 2015-04-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal Structure Analysis of Kelch protein from Plasmodium falciparum.
to be published
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6AU2
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragments | | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4H,6H-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine, BETA-MERCAPTOETHANOL, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, IQBAL, A, DONG, A, DOBROVETSKY, E, CORLESS, V.B, LIEW, S.K, TEMPEL, W, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D, HOLOWNIA, A, VEDADI, M, BROWN, P.J, SANTHAKUMAR, V, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-30 | | Release date: | 2017-10-11 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification and characterization of the first fragment hits for SETDB1 Tudor domain.
Bioorg.Med.Chem., 27, 2019
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3CP6
 | | Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor | | Descriptor: | (4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid), Farnesyl pyrophosphate synthetase, MAGNESIUM ION | | Authors: | Pilka, E.S, Dunford, J.E, Guo, K, Pike, A.C.W, von Delft, F, Barnett, B.L, Ebetino, F.H, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Russell, R.G.G, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-03-31 | | Release date: | 2008-04-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor.
To be Published
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3CY3
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V | | Descriptor: | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile, 1,2-ETHANEDIOL, Pimtide peptide, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V.
To be Published
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5MLE
 | | Crystal Structure of Human Dihydropyrimidinease-like 2 (DPYSL2A)/Collapsin Response Mediator Protein (CRMP2 13-516) Mutant Y479E/Y499E | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dihydropyrimidinase-related protein 2, ... | | Authors: | Sethi, R, Zheng, Y, Talon, R, Velupillai, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ahmed, A.A, von Delft, F. | | Deposit date: | 2016-12-06 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Nat Commun, 9, 2018
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6ASB
 | | CXXC and PHD-type zinc finger regions of FBXL19 in complex with DNA | | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), F-box/LRR-repeat protein 19, ZINC ION | | Authors: | Liu, K, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-24 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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3DA2
 | | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor | | Descriptor: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | | Authors: | Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-28 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor.
To be Published
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5MXX
 | | Crystal structure of human SR protein kinase 1 (SRPK1) in complex with compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, ... | | Authors: | Tallant, C, Redondo, C, Batson, J, Toop, H.D, Babaebi-Jadidib, R, Savitsky, P, Elkins, J.M, Newman, J.A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bates, D.O, Morris, J.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-01-25 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 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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