5QSH
 
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434868 | | 分子名称: | 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, T-box transcription factor T | | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | 登録日 | 2019-05-25 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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6TA7
 | | CRYSTAL STRUCTURE OF HUMAN G3BP1-NTF2 IN COMPLEX WITH HUMAN CAPRIN1-DERIVED SOLOMON MOTIF | | 分子名称: | CHLORIDE ION, Caprin-1, Ras GTPase-activating protein-binding protein 1, ... | | 著者 | Schulte, T, Achour, A, Panas, M.D, McInerney, G.M. | | 登録日 | 2019-10-29 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Caprin-1 binding to the critical stress granule protein G3BP1 is regulated by pH
Biorxiv, 2021
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3MY1
 | | Structure of CDK9/cyclinT1 in complex with DRB | | 分子名称: | 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 9, Cyclin-T1, ... | | 著者 | Baumli, S, Johnson, L.N. | | 登録日 | 2010-05-09 | | 公開日 | 2010-09-29 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Halogen bonds form the basis for selective P-TEFb inhibition by DRB
Chem.Biol., 17, 2010
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4HXG
 | | Pyrococcus horikoshii acylaminoacyl peptidase (orthorhombic crystal form) | | 分子名称: | CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ... | | 著者 | Kiss-Szeman, A, Menyhard, D.K, Tichy-Racs, E, Hornung, B, Radi, K, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V. | | 登録日 | 2012-11-09 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
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5QQU
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854 | | 分子名称: | 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ... | | 著者 | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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4RUZ
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4FMN
 | | Structure of the C-terminal domain of the Saccharomyces cerevisiae MUTL alpha (MLH1/PMS1) heterodimer bound to a fragment of NTG2 | | 分子名称: | 1,2-ETHANEDIOL, DNA mismatch repair protein MLH1, DNA mismatch repair protein PMS1, ... | | 著者 | Gueneau, E, Legrand, P, Charbonnier, J.B. | | 登録日 | 2012-06-18 | | 公開日 | 2013-02-20 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structure of the MutL alpha C-terminal domain reveals how Mlh1 contributes to Pms1 endonuclease site.
Nat.Struct.Mol.Biol., 20, 2013
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4N16
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4AGD
 | | CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide) | | 分子名称: | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2 | | 著者 | McTigue, M, Deng, Y, Ryan, K, Brooun, A, Diehl, W, Stewart, A. | | 登録日 | 2012-01-26 | | 公開日 | 2012-09-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2VFM
 | | Low Temperature Structure of P22 Tailspike Protein Fragment (109-666) | | 分子名称: | BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ... | | 著者 | Becker, M, Mueller, J.J, Heinemann, U, Seckler, R. | | 登録日 | 2007-11-05 | | 公開日 | 2008-12-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
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3PTR
 | | PHF2 Jumonji domain | | 分子名称: | 1,2-ETHANEDIOL, PHD finger protein 2 | | 著者 | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | | 登録日 | 2010-12-03 | | 公開日 | 2011-01-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Structural basis for human PHF2 Jumonji domain interaction with metal ions.
J.Mol.Biol., 406, 2011
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7EPO
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5QR8
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z57258487 | | 分子名称: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | | 著者 | Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5TRF
 | | MDM2 in complex with SAR405838 | | 分子名称: | (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2016-10-26 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
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2G39
 | | Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa | | 分子名称: | 1,2-ETHANEDIOL, ACETIC ACID, Acetyl-CoA hydrolase | | 著者 | Chang, C, Evdokimova, E, Kudritska, M, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2006-02-17 | | 公開日 | 2006-04-04 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa
To be Published
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1MP8
 | | Crystal structure of Focal Adhesion Kinase (FAK) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, focal adhesion kinase 1 | | 著者 | Nowakowski, J, Cronin, C.N, McRee, D.E, Knuth, M.W, Nelson, C.G, Pavletich, N.P, Rodgers, J, Sang, B.-C, Scheibe, D.N, Swanson, R.V, Thompson, D.A. | | 登録日 | 2002-09-11 | | 公開日 | 2003-09-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structures of the cancer-related Aurora-A, FAK, and EphA2 protein kinases from nanovolume crystallography
Structure, 10, 2002
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4RJD
 | | TFP bound in alternate orientations to calcium-saturated Calmodulin C-Domains | | 分子名称: | 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Feldkamp, M.D, Gakhar, L, Pandey, N, Shea, M.A. | | 登録日 | 2014-10-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Opposing orientations of the anti-psychotic drug trifluoperazine selected by alternate conformations of M144 in calmodulin.
Proteins, 83, 2015
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5QTF
 | | T. brucei FPPS in complex with CID 144539 | | 分子名称: | 1-(3-chloro-4-fluorophenyl)methanamine, Farnesyl pyrophosphate synthase, GLYCEROL, ... | | 著者 | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | | 登録日 | 2019-08-09 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.783 Å) | | 主引用文献 | T. brucei FPPS in complex with CID 144539
To Be Published
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7W1E
 | | Crystal structure of Klebsiella pneumoniae K1 capsule-specific polysaccharide lyase in complex with products | | 分子名称: | 2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic acid, 3-O-acetyl-6-deoxy-alpha-L-galactopyranose-(1-3)-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Tu, I.F, Huang, K.F, Wu, S.H. | | 登録日 | 2021-11-19 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Structural and biological insights into Klebsiella pneumoniae surface polysaccharide degradation by a bacteriophage K1 lyase: implications for clinical use.
J.Biomed.Sci., 29, 2022
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5TYA
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | 分子名称: | (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | | 登録日 | 2016-11-18 | | 公開日 | 2017-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
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4FHK
 | | Crystal Structure of PI3K-gamma in Complex with Imidazopyridazine 19e | | 分子名称: | 3-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Shaffer, P.L, Tang, J, Yakowec, P. | | 登録日 | 2012-06-06 | | 公開日 | 2013-04-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4FGV
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5FGH
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3KY2
 | | Crystal structure of Fibroblast Growth Factor Receptor 1 kinase domain | | 分子名称: | Basic fibroblast growth factor receptor 1, SULFATE ION | | 著者 | Bae, J.H, Boggon, T.J, Tome, F, Mandiyan, V, Lax, I, Schlessinger, J. | | 登録日 | 2009-12-04 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Asymmetric receptor contact is required for tyrosine autophosphorylation of fibroblast growth factor receptor in living cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5QTL
 | | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with GB-0804 | | 分子名称: | 1,2-ETHANEDIOL, 4-(trifluoromethyl)pyrimidin-2-amine, CHLORIDE ION, ... | | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2019-10-31 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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