1T3H
| X-ray Structure of Dephospho-CoA Kinase from E. coli Norteast Structural Genomics Consortium Target ER57 | 分子名称: | Dephospho-CoA kinase, SULFATE ION | 著者 | Kuzin, A.P, Chen, Y, Forouhar, F, Edstrom, W, Benach, J, Vorobiev, S, Acton, T, Shastry, R, Ma, L.-C, Xia, R, Montelione, G, Tong, L, Hunt, J, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2004-04-26 | 公開日 | 2004-05-11 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | X-ray Structure of Dephospho-CoA Kinase from E. coli
Norteast Structural Genomics Consortium Target ER57 TO BE PUBLISHED
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5LAR
| Crystal structure of p38 alpha MAPK14 in complex with VPC00628 | 分子名称: | 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | 著者 | Chaikuad, A, Petersen, L.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-14 | 公開日 | 2016-07-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Novel p38alpha MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library Medchemcomm, 7, 2016
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1LKN
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1TIY
| X-RAY STRUCTURE OF GUANINE DEAMINASE FROM BACILLUS SUBTILIS NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR160 | 分子名称: | Guanine deaminase, ZINC ION | 著者 | Kuzin, A.P, Vorobiev, S, Edstrom, W, Forouhar, F, Acton, T, Shastry, R, Ma, L.-C, Chiang, Y.-W, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2004-06-02 | 公開日 | 2004-06-22 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | X-RAY STRUCTURE OF GUANINE DEAMINASE FROM BACILLUS SUBTILIS
NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR160 To be published
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3MI6
| Crystal structure of the alpha-galactosidase from Lactobacillus brevis, Northeast Structural Genomics Consortium Target LbR11. | 分子名称: | Alpha-galactosidase | 著者 | Vorobiev, S, Chen, Y, Seetharaman, J, Belote, R, Sahdev, S, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2010-04-09 | 公開日 | 2010-04-28 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.704 Å) | 主引用文献 | Crystal structure of the alpha-galactosidase from Lactobacillus brevis. To be Published
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3MQP
| Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide, Northeast Structural Genomics Consortium Target HR2930 | 分子名称: | Bcl-2-related protein A1, Phorbol-12-myristate-13-acetate-induced protein 1 | 著者 | Guan, R, Xiao, R, Zhao, L, Acton, T.B, Gelinas, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2010-04-28 | 公開日 | 2010-06-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide To be Published
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5HTB
| Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3353 | 分子名称: | (3R)-4-amino-3-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}-4-oxobutanoic acid (non-preferred name), (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | 著者 | Chaikuad, A, Heroven, C, Lavogina, D, Kestav, K, Uri, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-01-26 | 公開日 | 2016-05-11 | 最終更新日 | 2023-04-26 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors. Acta Crystallogr.,Sect.F, 72, 2016
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5EK9
| Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor | 分子名称: | Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | 著者 | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-03 | 公開日 | 2016-11-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors. Bioorg. Med. Chem., 26, 2018
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3N3K
| The catalytic domain of USP8 in complex with a USP8 specific inhibitor | 分子名称: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | 登録日 | 2010-05-20 | 公開日 | 2010-06-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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5ELZ
| Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | 著者 | Mottaghi, K, Hughes, S.J, Tempel, W, Hong, B, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-05 | 公開日 | 2016-08-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. Acs Infect Dis., 2, 2016
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5F5C
| Crystal Structure of human JMJD2D complexed with KDOPP7 | 分子名称: | 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5C8G
| Crystal Structure Analysis of PP-BRD20 from Tb427tmp complexed with BI-2536 | 分子名称: | 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 | 著者 | 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) | 登録日 | 2015-06-25 | 公開日 | 2015-07-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure Analysis of PP-BRD20 from Tb427tmp to be published
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5F5A
| Crystal Structure of human JMJD2D complexed with KDOAM16 | 分子名称: | 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5F5I
| Crystal Structure of human JMJD2A complexed with KDOOA011340 | 分子名称: | 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Szykowska, A, Gileadi, C, Johansson, C, England, K, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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3NXH
| Crystal Structure of the transcriptional regulator yvhJ from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR735. | 分子名称: | transcriptional regulator yvhJ | 著者 | Vorobiev, S, Chen, Y, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2010-07-13 | 公開日 | 2010-08-04 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.584 Å) | 主引用文献 | Crystal Structure of the transcriptional regulator yvhJ from Bacillus subtilis. To be Published
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5JUW
| complex of Dot1l with SS148 | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Yu, W, Tempel, W, Li, Y, Spurr, S.S, Bayle, E.D, Fish, P.V, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2016-05-10 | 公開日 | 2016-06-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Complex of Dot1l with SS148 To Be Published
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8P06
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((2-(4H-1,2,4-triazol-4-yl)pyridin-4-yl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 分子名称: | 7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, SULFATE ION | 著者 | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-05-09 | 公開日 | 2023-06-21 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 67, 2024
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3NY5
| Crystal structure of the RBD domain of serine/threonine-protein kinase B-raf from Homo sapiens. Northeast Structural Genomics Consortium Target HR4694F | 分子名称: | Serine/threonine-protein kinase B-raf | 著者 | Vorobiev, S, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2010-07-14 | 公開日 | 2010-07-28 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.993 Å) | 主引用文献 | Crystal structure of the RBD domain of serine/threonine-protein kinase B-raf from Homo sapiens. To be Published
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8A31
| p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC694 | 分子名称: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, GLYCEROL, ... | 著者 | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2022-06-06 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C. Acs Pharmacol Transl Sci, 5, 2022
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8A32
| p53 cancer mutant Y220C in complex with iodophenol-based small-molecule stabilizer JC769 | 分子名称: | 1,2-ETHANEDIOL, 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid, Cellular tumor antigen p53, ... | 著者 | Balourdas, D.I, Stephenson Clarke, J.R, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | 登録日 | 2022-06-06 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic p53 Mutant Y220C. Acs Pharmacol Transl Sci, 5, 2022
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3BIJ
| Crystal structure of protein GSU0716 from Geobacter sulfurreducens. Northeast Structural Genomics target GsR13 | 分子名称: | Uncharacterized protein GSU0716 | 著者 | Forouhar, F, Neely, H, Su, M, Seetharaman, J, Benach, J, Conover, K, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2007-11-30 | 公開日 | 2007-12-11 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of protein GSU0716 from Geobacter sulfurreducens. To be Published
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5EPL
| Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866 | 分子名称: | E3 SUMO-protein ligase CBX4, UNKNOWN ATOM OR ION, unc3866 | 著者 | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-11 | 公開日 | 2015-12-23 | 最終更新日 | 2019-11-27 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1. Nat.Chem.Biol., 12, 2016
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4Y8D
| Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ... | 著者 | Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2015-02-16 | 公開日 | 2015-04-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents. J.Med.Chem., 58, 2015
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5EQ0
| Crystal Structure of chromodomain of CBX8 in complex with inhibitor UNC3866 | 分子名称: | Chromobox protein homolog 8, UNKNOWN ATOM OR ION, unc3866 | 著者 | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2015-11-12 | 公開日 | 2015-12-23 | 最終更新日 | 2019-11-27 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1. Nat.Chem.Biol., 12, 2016
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4Z0O
| CW-type zinc finger of ZCWPW2 with F78D mutation | 分子名称: | SODIUM ION, UNKNOWN ATOM OR ION, ZINC ION, ... | 著者 | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2015-03-26 | 公開日 | 2015-04-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | CW-type zinc finger of ZCWPW2 with F78D mutation To be Published
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