PDB: 8717 件ウェブページステータス検索Chemie searchBIRD

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5QRP	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2442270563 分子名称: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine, CADMIUM ION, T-box transcription factor T 著者 Newman, J.A, Gavard, A.E, Fernandez-Cid, A, 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 2019-07-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QRU	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z235341991 分子名称: CADMIUM ION, N-(2-methoxy-5-methylphenyl)glycinamide, T-box transcription factor T 著者 Newman, J.A, Gavard, A.E, Fernandez-Cid, A, 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 2019-07-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QRZ	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1998104358 分子名称: (5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide, CADMIUM ION, T-box transcription factor T 著者 Newman, J.A, Gavard, A.E, Fernandez-Cid, A, 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 2019-07-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QS4	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z30820160 分子名称: CADMIUM ION, N-(4-methyl-1,3-thiazol-2-yl)propanamide, T-box transcription factor T 著者 Newman, J.A, Gavard, A.E, Fernandez-Cid, A, 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 2019-07-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QRQ	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z645232558 分子名称: CADMIUM ION, T-box transcription factor T, [1-(pyrimidin-2-yl)piperidin-4-yl]methanol 著者 Newman, J.A, Gavard, A.E, Fernandez-Cid, A, 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 2019-07-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QRV	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z198194396 分子名称: 4-(furan-2-carbonyl)piperazine-1-carboxamide, CADMIUM ION, T-box transcription factor T 著者 Newman, J.A, Gavard, A.E, Fernandez-Cid, A, 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 2019-07-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5QS0	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z274555794 分子名称: CADMIUM ION, N-(3-acetylphenyl)morpholine-4-carboxamide, T-box transcription factor T 著者 Newman, J.A, Gavard, A.E, Fernandez-Cid, A, 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 2019-07-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 PanDDA analysis group deposition To Be Published
8SZT	Structure of Kdac1 from Acinetobacter baumannii 分子名称: CHLORIDE ION, Histone deacetylase domain-containing protein, POTASSIUM ION, ... 著者 Watson, P.R, Christianson, D.W. 登録日 2023-05-30 公開日 2023-09-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure and Function of Kdac1, a Class II Deacetylase from the Multidrug-Resistant Pathogen Acinetobacter baumannii . Biochemistry, 62, 2023
4ATG	TAF6 C-terminal domain from Antonospora locustae 分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TAF6 著者 Romier, C. 登録日 2012-05-07 公開日 2012-06-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 TFIID Taf6-Taf9 Complex Formation Involves the Heat Repeat-Containing C-Terminal Domain of Taf6 and is Modulated by Taf5 Protein. J.Biol.Chem., 287, 2012
7NXJ	Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 分子名称: Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide 著者 Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. 登録日 2021-03-18 公開日 2021-05-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
7NXK	Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 分子名称: (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 著者 Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. 登録日 2021-03-18 公開日 2021-05-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
8V7K	Human DNA polymerase eta-DNA-araC-ended primer ternary complex:reaction with 10 mM Mn2+ for 1800s 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*GP*CP*GP*TP*CP*A)-R(P*(CAR))-3'), DNA (5'-D(*CP*AP*TP*TP*GP*TP*GP*AP*CP*GP*CP*T)-3'), ... 著者 Chang, C, Gao, Y. 登録日 2023-12-04 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Human DNA polymerase eta-DNA-araC-ended primer ternary complex:reaction with 10 mM Mn2+ for 1800s To Be Published
8V7F	Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+ 分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T*())-3'), DNA (5'-D(*CP*AP*TP*GP*AP*TP*GP*AP*CP*GP*CP*T)-3'), ... 著者 Chang, C, Gao, Y. 登録日 2023-12-04 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Human DNA polymerase eta-DNA-araC-ended primer-dAMPNPP ternary complex with Mn2+ To Be Published
2WBD	FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR 分子名称: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-ethylbenzenesulfonamide 著者 Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. 登録日 2009-02-26 公開日 2009-12-22 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes. Bioorg.Med.Chem.Lett., 20, 2010
2WBB	FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE-1- PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH AN AMP SITE INHIBITOR 分子名称: FRUCTOSE-1,6-BISPHOSPHATASE 1, N-{[(2Z)-5-BROMO-1,3-THIAZOL-2(3H)-YLIDENE]CARBAMOYL}-4-METHYLBENZENESULFONAMIDE 著者 Ruf, A, Joseph, C, Benz, J, Fol, B, Tetaz, T, Kitas, E, Mohr, P, Kuhn, B, Wessel, H.P, Hebeisen, P, Haap, W, Huber, W, Alvarez Sanchez, R, Paehler, A, Bernadeau, A, Gubler, M, Schott, B, Tozzo, E. 登録日 2009-02-26 公開日 2009-12-22 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Sulfonylureido Thiazoles as Fructose-1,6-Bisphosphatase Inhibitors for the Treatment of Type-2 Diabetes. Bioorg.Med.Chem.Lett., 20, 2010
3S9G	Structure of human Hexim1 (delta stammer) coiled coil domain 分子名称: Protein HEXIM1 著者 Bigalke, J.M, Blankenfeldt, W, Geyer, M. 登録日 2011-06-01 公開日 2011-10-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure and Dynamics of a Stabilized Coiled-Coil Domain in the P-TEFb Regulator Hexim1. J.Mol.Biol., 414, 2011
3FS0	Class II ligase ribozyme product-template duplex, structure 2 分子名称: 5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*C)-3', 5'-R(*GP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3', MAGNESIUM ION 著者 Pitt, J.N, Ferre-D'Amare, A.R. 登録日 2009-01-08 公開日 2009-02-24 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-guided engineering of the regioselectivity of RNA ligase ribozymes. J.Am.Chem.Soc., 131, 2009
3FTM	Class II ligase ribozyme product-template duplex, structure 1 分子名称: 5'-R(*CP*CP*AP*GP*UP*CP*GP*GP*AP*AP*CP*A)-3', 5'-R(*GP*UP*GP*UP*GP*AP*GP*GP*CP*UP*G)-3', MAGNESIUM ION, ... 著者 Pitt, J.N, Ferre-D'Amare, A.R. 登録日 2009-01-13 公開日 2009-02-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure-guided engineering of the regioselectivity of RNA ligase ribozymes. J.Am.Chem.Soc., 131, 2009
6YI9	Crystal structure of the rat cytosolic PCK1, acetylated on Lys244 分子名称: 1,2-ETHANEDIOL, Phosphoenolpyruvate carboxykinase, cytosolic [GTP] 著者 Latorre-Muro, P, Baeza, J, Hurtado-Guerrero, R, Hicks, T, Delso, I, Hernandez-Ruiz, C, Velazquez-Campoy, A, Lawton, A.J, Angulo, J, Denu, J.M, Carrodeguas, J.A. 登録日 2020-04-01 公開日 2020-12-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Self-acetylation at the active site of phosphoenolpyruvate carboxykinase (PCK1) controls enzyme activity. J.Biol.Chem., 296, 2021
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 2023-11-01 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
3MY5	CDk2/cyclinA in complex with DRB 分子名称: 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 2, Cyclin-A2, ... 著者 Baumli, S, Johnson, L.N. 登録日 2010-05-09 公開日 2010-09-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Halogen bonds form the basis for selective P-TEFb inhibition by DRB Chem.Biol., 17, 2010
5ANO	Crystal structure of CDK2 processed with the CrystalDirect automated mounting and cryo-cooling technology 分子名称: CYCLIN-DEPENDENT KINASE 2 著者 Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. 登録日 2015-09-07 公開日 2016-04-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
5ANI	Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology 分子名称: 6-chloro-9H-purine, CYCLIN-DEPENDENT KINASE 2 著者 Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. 登録日 2015-09-07 公開日 2016-04-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
5ANK	Crystal structure of CDK2 in complex with 2,4,6-trioxo-1-phenyl- hexahydropyrimidine-5-carboxamide processed with the CrystalDirect automated mounting and cryo-cooling technology 分子名称: 2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2 著者 Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. 登録日 2015-09-07 公開日 2016-04-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
1N48	Y-family DNA polymerase Dpo4 in complex with DNA containing abasic lesion 分子名称: 5'-D(*CP*AP*(3DR)P*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*A)-3', ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Ling, H, Boudsocq, F, Woodgate, R, Yang, W. 登録日 2002-10-30 公開日 2004-02-24 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A Y-family polymerase complexed with abasic lesions: catching DNA with a loaded nucleoside triphosphate To be Published

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