7NNS
 
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib | | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ... | | 著者 | Williams, E, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2021-02-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib
To Be Published
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7B9W
 | | Crystal structure of MurE from E.coli in complex with Z757284380 | | 分子名称: | 1,2-ETHANEDIOL, 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | | 著者 | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-14 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Crystal structure of MurE from E.coli
To Be Published
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7BBO
 | | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P212121 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PH-interacting protein | | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group P21212
To Be Published
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7BBP
 | | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Histone H4, ... | | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC) | | 登録日 | 2020-12-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Crystal Structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with H4K5acK8ac
To Be Published
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8CF0
 | | Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2 | | 分子名称: | 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | | 著者 | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | 登録日 | 2023-02-02 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
To Be Published
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6WAU
 | | Complex structure of PHF19 | | 分子名称: | Histone H3.1t peptide, PHD finger protein 19, UNKNOWN ATOM OR ION | | 著者 | Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2020-03-26 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19.
Elife, 9, 2020
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2W2I
 | | Crystal structure of the human 2-oxoglutarate oxygenase LOC390245 | | 分子名称: | 2-OXOGLUTARATE OXYGENASE, GLYCEROL, NICKEL (II) ION, ... | | 著者 | Yue, W.W, Ng, S, Shafqat, N, Ugochukwu, E, McDonough, M, Pike, A.C.W, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C, Oppermann, U. | | 登録日 | 2008-10-31 | | 公開日 | 2009-01-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and Evolutionary Basis for the Dual Substrate Selectivity of Human Kdm4 Histone Demethylase Family.
J.Biol.Chem., 286, 2011
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4USF
 | | Human SLK with SB-440719 | | 分子名称: | 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE | | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Bountra, C, Edwards, A.M, Knapp, S. | | 登録日 | 2014-07-07 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
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2W7R
 | | Structure of the PDZ domain of Human Microtubule associated serine- threonine kinase 4 | | 分子名称: | MICROTUBULE-ASSOCIATED SERINE/THREONINE-PROTEIN KINASE 4, PHOSPHATE ION | | 著者 | Muniz, J.R.C, Elkins, J, Wang, J, Savitzky, P, Roos, A, Salah, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | | 登録日 | 2008-12-24 | | 公開日 | 2009-05-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms.
Protein Sci., 19, 2010
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4RGJ
 | | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500 | | 分子名称: | Calcium-dependent protein kinase 4 | | 著者 | Wernimont, A.K, Walker, J.R, Hutchinson, A, Seitova, A, He, H, Loppnau, P, Neculai, M, Amani, M, Lin, Y.H, Ravichandran, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | | 登録日 | 2014-09-30 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | | 主引用文献 | Apo crystal structure of CDPK4 from Plasmodium falciparum, PF3D7_0717500
To be Published
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6MEW
 | | RFXANK ankyrin repeats in complex with a RFX7 peptide | | 分子名称: | DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION | | 著者 | Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-07 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | RFXANK ankyrin repeats in complex with a RFX7 peptide
to be published
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8C8D
 | | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44). | | 分子名称: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | | 著者 | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | 登録日 | 2023-01-19 | | 公開日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44).
To Be Published
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8CEW
 | | Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1 | | 分子名称: | 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ... | | 著者 | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | 登録日 | 2023-02-02 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
To Be Published
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8CG9
 | | Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor | | 分子名称: | 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ... | | 著者 | Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | | 登録日 | 2023-02-03 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
To Be Published
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6I5K
 | | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN345 (derivative of compound 12h) | | 分子名称: | 5-(1-methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, GLYCEROL, ... | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-11-13 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
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4IKP
 | | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | | 分子名称: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | 著者 | Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2012-12-27 | | 公開日 | 2013-02-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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8DDA
 | | Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain | | 分子名称: | Alpha-aminoadipic semialdehyde synthase, mitochondrial, SULFATE ION | | 著者 | Muniz, J.R.C, Kopec, J, Rembeza, E, Burgess-Brown, N, Bountra, C, Yue, W.W. | | 登録日 | 2022-06-17 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain
To Be Published
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8F0W
 | | Tudor Domain of Tumor suppressor p53BP1 with MFP-5956 | | 分子名称: | 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one, TP53-binding protein 1, UNKNOWN ATOM OR ION | | 著者 | The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2022-11-04 | | 公開日 | 2023-01-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Tudor Domain of Tumor suppressor p53BP1 with MFP-5956
to be published
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6N31
 | | WD repeats of human WDR12 | | 分子名称: | Ribosome biogenesis protein WDR12, UNKNOWN ATOM OR ION | | 著者 | Halabelian, L, Zeng, H, Tempel, W, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | 登録日 | 2018-11-14 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | WD repeats of human WDR12
To Be Published
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5K47
 | | CryoEM structure of the human Polycystin-2/PKD2 TRP channel | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2 | | 著者 | Pike, A.C.W, Grieben, M, Shintre, C.A, Tessitore, A, Shrestha, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2016-05-20 | | 公開日 | 2016-08-24 | | 最終更新日 | 2020-10-21 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2).
Nat. Struct. Mol. Biol., 24, 2017
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6P7I
 | | Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound | | 分子名称: | GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ... | | 著者 | Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-05 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor
J.Med.Chem., 63, 2020
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7NSG
 | | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B | | 分子名称: | (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | 著者 | Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC) | | 登録日 | 2021-03-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | | 主引用文献 | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B
TO BE PUBLISHED
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7B9B
 | | Crystal structure of human 5' exonuclease Appollo APO form | | 分子名称: | 5' exonuclease Apollo, NICKEL (II) ION | | 著者 | Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2020-12-14 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
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6MF9
 | | Crystal structure of CGD4-650 with compound BI2536 | | 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, ZnKn (C2HC)+Athook+bromo domain protein, Taf250, ... | | 著者 | Dong, A, Lin, Y.L, Hou, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-10 | | 公開日 | 2018-10-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.037 Å) | | 主引用文献 | Crystal structure of CGD4-650 with compound BI2536
to be published
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6MIW
 | | WWE domain of human HUWE1 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, E3 ubiquitin-protein ligase HUWE1, UNKNOWN ATOM OR ION | | 著者 | Halabelian, L, Loppnau, P, Tempel, W, Wong, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2018-09-20 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | WWE domain of human HUWE1
To Be Published
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