5W8R
 
 | | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | | 分子名称: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2017-06-22 | | 公開日 | 2017-07-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
To be published
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2YDX
 | | Crystal structure of human S-adenosylmethionine synthetase 2, beta subunit | | 分子名称: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, CALCIUM ION, METHIONINE ADENOSYLTRANSFERASE 2 SUBUNIT BETA, ... | | 著者 | Muniz, J.R.C, Shafqat, N, Pike, A.C.W, Yue, W.W, Vollmar, M, Papagriogriou, V, Roos, A, Gileadi, O, von Delft, F, Kavanagh, K.L, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | | 登録日 | 2011-03-25 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Insight Into S-Adenosylmethionine Biosynthesis from the Crystal Structures of the Human Methionine Adenosyltransferase Catalytic and Regulatory Subunits.
Biochem.J., 452, 2013
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2YAD
 | | BRICHOS domain of Surfactant protein C precursor protein | | 分子名称: | SURFACTANT PROTEIN C BRICHOS DOMAIN | | 著者 | Askarieh, G, Siponen, M.I, Willander, H, Landreh, M, Westermark, P, Nordling, K, Keranen, H, Hermansson, E, Hamvas, A, Nogee, L.M, Bergman, T, Saenz, A, Casals, C, Aqvist, J, Jornvall, H, Presto, J, Johansson, J, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Nordlund, P, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, van den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Knight, S.D. | | 登録日 | 2011-02-18 | | 公開日 | 2012-02-15 | | 最終更新日 | 2014-08-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | High Resolution Structure of a Bricos Domain and its Implications for Anti-Amyloid Chaperone Activity on Lung Surgactant Protein C.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3H9U
 | | S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei | | 分子名称: | ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ... | | 著者 | Siponen, M.I, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh Nielsen, T, Kotenyova, T, Kotzsch, A, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schueler, H, Structural Genomics Consortium (SGC) | | 登録日 | 2009-04-30 | | 公開日 | 2009-09-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei
To be Published
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3UMN
 | | Crystal Structure of Lamin-B1 | | 分子名称: | Lamin-B1 | | 著者 | Xu, C, Bian, C.B, Amaya, M.F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-11-14 | | 公開日 | 2011-11-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of the coil 2B fragment and the globular tail domain of human lamin B1.
Febs Lett., 586, 2012
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3UXG
 | | Crystal structure of RFXANK | | 分子名称: | DNA-binding protein RFXANK, Histone deacetylase 4, UNKNOWN ATOM OR ION | | 著者 | Tempel, W, Chao, X, Bian, C, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-12-05 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Sequence-Specific Recognition of a PxLPxI/L Motif by an Ankyrin Repeat Tumbler Lock.
Sci.Signal., 5, 2012
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6Y6H
 | | Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe | | 分子名称: | 1,2-ETHANEDIOL, 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-26 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
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5IID
 | | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one | | 分子名称: | 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one, Protein polybromo-1 | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S. | | 登録日 | 2016-03-01 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
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6Y6F
 | | Crystal structure of STK17B (DRAK2) in complex with PKIS43 | | 分子名称: | 1,2-ETHANEDIOL, 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-02-26 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
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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 | | 分子名称: | Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, CD2-associated protein | | 著者 | 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. | | 登録日 | 2014-11-25 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | 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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3QMC
 | | Structural Basis of Selective Binding of Nonmethylated CpG Islands by the CXXC Domain of CFP1 | | 分子名称: | 5'-D(*GP*CP*CP*AP*CP*CP*GP*CP*TP*GP*GP*C)-3', 5'-D(*GP*CP*CP*AP*GP*CP*GP*GP*TP*GP*GP*C)-3', CpG-binding protein, ... | | 著者 | Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-02-04 | | 公開日 | 2011-02-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
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4OUC
 | | Structure of human haspin in complex with histone H3 substrate | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, Histone H3.2, ... | | 著者 | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-02-15 | | 公開日 | 2014-04-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Modulation of the chromatin phosphoproteome by the haspin protein kinase.
Mol Cell Proteomics, 13, 2014
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6GIP
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 2, 5-dimethyl core. | | 分子名称: | 1,2-ETHANEDIOL, 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ... | | 著者 | Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mathea, S, Chen, Z, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2018-05-14 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
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3QMB
 | | Structural Basis of Selective Binding of Nonmethylated CpG Islands by the CXXC Domain of CFP1 | | 分子名称: | 5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3', CALCIUM ION, CpG-binding protein, ... | | 著者 | Lam, R, Xu, C, Bian, C.B, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-02-04 | | 公開日 | 2011-02-23 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
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3QMI
 | | Structural Basis of Selective Binding of Non-Methylated CpG islands (DNA-ACGT) by the CXXC Domain of CFP1 | | 分子名称: | 5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3', CpG-binding protein, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Xu, C, Bian, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-02-04 | | 公開日 | 2011-02-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
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5IN3
 | | Crystal structure of glucose-1-phosphate bound nucleotidylated human galactose-1-phosphate uridylyltransferase | | 分子名称: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, ... | | 著者 | Kopec, J, McCorvie, T, Tallant, C, Velupillai, S, Shrestha, L, Fitzpatrick, F, Patel, D, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2016-03-07 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Molecular basis of classic galactosemia from the structure of human galactose 1-phosphate uridylyltransferase.
Hum.Mol.Genet., 25, 2016
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6YIJ
 | | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand | | 分子名称: | (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one, CREBBP | | 著者 | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | 登録日 | 2020-04-01 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
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3QMG
 | | Structural Basis of Selective Binding of Non-Methylated CpG islands by the CXXC Domain of CFP1 | | 分子名称: | 5'-D(*GP*CP*CP*AP*AP*CP*GP*GP*TP*GP*GP*C)-3', 5'-D(*GP*CP*CP*AP*CP*CP*GP*TP*TP*GP*GP*C)-3', CpG-binding protein, ... | | 著者 | Xu, C, Bian, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-02-04 | | 公開日 | 2011-02-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The structural basis for selective binding of non-methylated CpG islands by the CFP1 CXXC domain.
Nat Commun, 2, 2011
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6YIL
 | | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand | | 分子名称: | (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP | | 著者 | Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P. | | 登録日 | 2020-04-01 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
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4CKR
 | | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-ethylpiperazin-1-yl)methyl]-n-{4-methyl-3-[(2-oxo-2,3-dihydro-1h-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide, EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 | | 著者 | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Krojer, T, Newman, J.A, Dixon-Clarke, S, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | 登録日 | 2014-01-07 | | 公開日 | 2014-01-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of a Potent and Selective Ddr1 Receptor Tyrosine Kinase Inhibitor.
Acs Chem.Biol., 8, 2013
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6GR9
 | | Human AURKC INCENP complex bound to VX-680 | | 分子名称: | Aurora kinase C, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, Inner centromere protein, ... | | 著者 | Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | 登録日 | 2018-06-10 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | AURKC INCENP complex bound to BRD-7880
To Be Published
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6Y6C
 | | TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2 | | 著者 | Szykowska, A, Preger, C, Williams, E, Mukhopadhyay, S.M.M, McKinley, G, Gruslund, S, Wigren, E, Persson, H, Arrowsmith, C.H, Edwards, A, von Delft, F, Bountra, C, Davis, J.B, Di Daniel, E, Burgess-Brown, N, Bullock, A. | | 登録日 | 2020-02-26 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain.
Structure, 29, 2021
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6TN8
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564 | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ... | | 著者 | Williams, E.P, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | 登録日 | 2019-12-06 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound BI-9564
To Be Published
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6Y7L
 | | Structure of the BRD9 bromodomain and TP-472 | | 分子名称: | 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 9 | | 著者 | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M. | | 登録日 | 2020-03-01 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure of the BRD9 bromodomain and compound 2
To Be Published
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6Y7K
 | | Structure of the BRD9 bromodomain and compound 27 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, SODIUM ION, ... | | 著者 | Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M. | | 登録日 | 2020-03-01 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure of the BRD9 bromodomain
To Be Published
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