5FE2
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![BU of 5fe2 by Molmil](/molmil-images/mine/5fe2) | Crystal structure of human PCAF bromodomain in complex with fragment BR013 (fragment 3) | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3~{H}-isoindol-1-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 (2.25 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5FE9
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![BU of 5fe9 by Molmil](/molmil-images/mine/5fe9) | Crystal structure of human PCAF bromodomain in complex with compound SL1122 (compound 13) | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide | 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 (2.35 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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5THA
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![BU of 5tha by Molmil](/molmil-images/mine/5tha) | Gemin5 WD40 repeats in complex with a guanosyl moiety | Descriptor: | DIGUANOSINE-5'-TRIPHOSPHATE, Gem-associated protein 5, UNKNOWN ATOM OR ION | Authors: | Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-29 | Release date: | 2016-10-19 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly. Genes Dev., 30, 2016
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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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6CE6
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![BU of 6ce6 by Molmil](/molmil-images/mine/6ce6) | Structure of HDAC6 zinc-finger ubiquitin binding domain soaked with 3,3'-(benzo[1,2-d:5,4-d']bis(thiazole)-2,6-diyl)dipropionic acid | Descriptor: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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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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4KAF
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![BU of 4kaf by Molmil](/molmil-images/mine/4kaf) | Crystal Structure of Haloalkane dehalogenase HaloTag7 at the resolution 1.5A, Northeast Structural Genomics Consortium (NESG) Target OR151 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, ... | Authors: | Kuzin, A.P, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-04-22 | Release date: | 2013-06-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.496 Å) | Cite: | Northeast Structural Genomics Consortium Target OR151 To be Published
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2Z77
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![BU of 2z77 by Molmil](/molmil-images/mine/2z77) | X-ray crystal structure of RV0760c from Mycobacterium tuberculosis in complex with estradiol-17beta-hemisuccinate | Descriptor: | 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid, ACETATE ION, NICOTINAMIDE, ... | Authors: | Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-08-16 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis Rv0760c at 1.50 A resolution, a structural homolog of Delta(5)-3-ketosteroid isomerase. Biochim.Biophys.Acta, 1784, 2008
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2Z76
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![BU of 2z76 by Molmil](/molmil-images/mine/2z76) | X-ray crystal structure of RV0760c from Mycobacterium tuberculosis at 1.82 Angstrom resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-08-16 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis Rv0760c at 1.50 A resolution, a structural homolog of Delta(5)-3-ketosteroid isomerase. Biochim.Biophys.Acta, 1784, 2008
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2RHK
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![BU of 2rhk by Molmil](/molmil-images/mine/2rhk) | Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cleavage and polyadenylation specificity factor subunit 4, NITRATE ION, ... | Authors: | Das, K, Ma, L.-C, Xiao, R, Radvansky, B, Aramini, J, Zhao, L, Arnold, E, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-10-09 | Release date: | 2008-07-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for suppression of a host antiviral response by influenza A virus. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1T17
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![BU of 1t17 by Molmil](/molmil-images/mine/1t17) | Solution Structure of the 18 kDa Protein CC1736 from Caulobacter crescentus: The Northeast Structural Genomics Consortium Target CcR19 | Descriptor: | conserved hypothetical protein | Authors: | Shen, Y, Atreya, H.S, Acton, T, Xiao, R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-04-15 | Release date: | 2005-01-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structure of the 18 kDa protein CC1736 from Caulobacter crescentus identifies a member of the START domain superfamily and suggests residues mediating substrate specificity. Proteins, 58, 2005
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3ICL
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![BU of 3icl by Molmil](/molmil-images/mine/3icl) | X-Ray Structure of Protein (EAL/GGDEF domain protein) from M.capsulatus, Northeast Structural Genomics Consortium Target McR174C | Descriptor: | EAL/GGDEF domain protein, SULFATE ION | Authors: | Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-07-17 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Northeast Structural Genomics Consortium Target McR174C To be Published
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5J1W
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![BU of 5j1w by Molmil](/molmil-images/mine/5j1w) | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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5J1V
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![BU of 5j1v by Molmil](/molmil-images/mine/5j1v) | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-29 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure. Eur.J.Med.Chem., 118, 2016
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2Z7A
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![BU of 2z7a by Molmil](/molmil-images/mine/2z7a) | X-ray crystal structure of RV0760c from Mycobacterium tuberculosis at 2.10 Angstrom resolution | Descriptor: | ACETATE ION, Putative steroid isomerase | Authors: | Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-08-17 | Release date: | 2007-09-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis Rv0760c at 1.50 A resolution, a structural homolog of Delta(5)-3-ketosteroid isomerase. Biochim.Biophys.Acta, 1784, 2008
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6T29
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![BU of 6t29 by Molmil](/molmil-images/mine/6t29) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587) | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | Authors: | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-08 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.484 Å) | Cite: | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
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4FFD
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![BU of 4ffd by Molmil](/molmil-images/mine/4ffd) | Crystal structure of engineered protein. northeast structural genomics consortium target or48 | Descriptor: | MAGNESIUM ION, PF00702 DOMAIN PROTEIN | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-05-31 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal structure of engineered protein. northeast structural genomics consortium target or48 To be Published
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3B7O
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![BU of 3b7o by Molmil](/molmil-images/mine/3b7o) | Crystal structure of the human tyrosine phosphatase SHP2 (PTPN11) with an accessible active site | Descriptor: | D-MALATE, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Ugochukwu, E, Barr, A, Patel, A, King, O, Niesen, F, Salah, E, Savitsky, P, Pilka, E.S, Elkins, J, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome. Cell(Cambridge,Mass.), 136, 2009
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5UBB
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![BU of 5ubb by Molmil](/molmil-images/mine/5ubb) | Crystal structure of human alpha N-terminal protein methyltransferase 1B | Descriptor: | Alpha N-terminal protein methyltransferase 1B, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION | Authors: | Dong, C, Zhu, L, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2. Commun Biol, 1, 2018
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1RTW
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![BU of 1rtw by Molmil](/molmil-images/mine/1rtw) | X-ray Structure of PF1337, a TenA Homologue from Pyrococcus furiosus. Northeast Structural Genomics Research Consortium (Nesg) Target PFR34 | Descriptor: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, transcriptional activator, ... | Authors: | Benach, J, Edstrom, W.C, Lee, I, Rong, X, Acton, T.B, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-12-10 | Release date: | 2004-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism. Acta Crystallogr.,Sect.D, 61, 2005
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5J3E
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![BU of 5j3e by Molmil](/molmil-images/mine/5j3e) | Crystal Structure of Human THYN1 protein in complex with 5-methylcytosine containing DNA | Descriptor: | 5-methylcytosine containing DNA, Thymocyte nuclear protein 1, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Tempel, W, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-30 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Human THYN1 protein in complex with 5-methylcytosine containing DNA To be published
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1JW2
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![BU of 1jw2 by Molmil](/molmil-images/mine/1jw2) | SOLUTION STRUCTURE OF HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha FROM ESCHERICHIA COLI. Ontario Centre for Structural Proteomics target EC0308_1_72; Northeast Structural Genomics Target ET88 | Descriptor: | HEMOLYSIN EXPRESSION MODULATING PROTEIN Hha | Authors: | Chang, X, Yee, A, Savchenko, A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2001-09-02 | Release date: | 2002-02-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An NMR approach to structural proteomics Proc.Natl.Acad.Sci.USA, 99, 2002
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6CDG
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![BU of 6cdg by Molmil](/molmil-images/mine/6cdg) | GID4 fragment in complex with a peptide | Descriptor: | Glucose-induced degradation protein 4 homolog, Hexapeptide PGLWKS, UNKNOWN ATOM OR ION | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-08 | Release date: | 2018-03-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway. Nat. Chem. Biol., 14, 2018
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1R57
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![BU of 1r57 by Molmil](/molmil-images/mine/1r57) | NMR Solution Structure of a GCN5-like putative N-acetyltransferase from Staphylococcus aureus. Northeast Structural Genomics Consortium Target ZR31 | Descriptor: | conserved hypothetical protein | Authors: | Cort, J.R, Acton, T.B, Ma, L, Xiao, R.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-10-09 | Release date: | 2004-03-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of an acetyl-CoA binding protein from Staphylococcus aureus representing a novel subfamily of GCN5-related N-acetyltransferase-like proteins. J.STRUCT.FUNCT.GENOM., 9, 2008
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