PDB: 13258 件ウェブページステータス検索Chemie searchBIRD

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6RKM	Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface 分子名称: 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ... 著者 Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. 登録日 2019-04-30 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
6RL4	Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface 分子名称: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... 著者 Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. 登録日 2019-05-01 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
1RT7	HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84 分子名称: 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION 著者 Ren, J, Stammers, D.K, Stuart, D.I. 登録日 1998-07-29 公開日 1999-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
1RT5	HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10 分子名称: HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION 著者 Ren, J, Stammers, D.K, Stuart, D.I. 登録日 1998-07-29 公開日 1999-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
6RX2	Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface 分子名称: 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... 著者 Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. 登録日 2019-06-07 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
1RT6	HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38 分子名称: 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION 著者 Ren, J, Stammers, D.K, Stuart, D.I. 登録日 1998-07-29 公開日 1999-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
1RT4	HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781 分子名称: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION 著者 Ren, J, Stammers, D.K, Stuart, D.I. 登録日 1998-07-29 公開日 1999-07-29 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives. Biochemistry, 37, 1998
1OKE	Crystal structure of the dengue 2 virus envelope protein in complex with n-octyl-beta-D-glucoside 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAJOR ENVELOPE PROTEIN E, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Modis, Y, Harrison, S.C. 登録日 2003-07-22 公開日 2003-07-24 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 A Ligand-Binding Pocket in the Dengue Virus Envelope Glycoprotein. Proc.Natl.Acad.Sci.USA, 100, 2003
1N64	Crystal structure analysis of the immunodominant antigenic site on Hepatitis C virus protein bound to mAb 19D9D6 分子名称: Fab 19D9D6 heavy chain, Fab 19D9D6 light chain, Genome polyprotein Capsid protein C 著者 Menez, R, Bossus, M, Muller, B, Sibai, G, Dalbon, P, Ducancel, F, Jolivet-Reynaud, C, Stura, E. 登録日 2002-11-08 公開日 2003-02-25 最終更新日 2013-09-18 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Crystal structure of a hydrophobic immunodominant antigenic site on hepatitis C virus core protein complexed to monoclonal antibody 19D9D6. J.Immunol., 170, 2003
4ZDR	Crystal structure of 14-3-3[zeta]-LKB1 fusion protein 分子名称: 14-3-3 protein zeta/delta,GGSGGS linker,Serine/threonine-protein kinase STK11, GLYCEROL, PROPANE, ... 著者 Ding, S, Shi, Z.B. 登録日 2015-04-18 公開日 2015-09-09 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.899 Å) 主引用文献 Structure of the 14-3-3 zeta-LKB1 fusion protein provides insight into a novel ligand-binding mode of 14-3-3. Acta Crystallogr.,Sect.F, 71, 2015
5HPY	Crystal Structure of RhoA.GDP.MgF3-in complex with human Myosin 9b RhoGAP domain 分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, TRIFLUOROMAGNESATE, ... 著者 Yi, F.S, Ren, J.Q, Feng, W. 登録日 2016-01-21 公開日 2016-07-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Noncanonical Myo9b-RhoGAP Accelerates RhoA GTP Hydrolysis by a Dual-Arginine-Finger Mechanism J.Mol.Biol., 428, 2016
2Z9O	Crystal structure of the dimeric form of RepE in complex with the repE operator DNA 分子名称: DNA (33-MER), Replication initiation protein 著者 Nakamura, A, Wada, C, Miki, K. 登録日 2007-09-21 公開日 2007-11-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (3.14 Å) 主引用文献 Structural basis for regulation of bifunctional roles in replication initiator protein Proc.Natl.Acad.Sci.Usa, 104, 2007
3I60	Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide 分子名称: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION 著者 Jacobs, M.D, Xie, X. 登録日 2009-07-06 公開日 2010-01-12 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. J.Med.Chem., 52, 2009
1Q21	CRYSTAL STRUCTURES AT 2.2 ANGSTROMS RESOLUTION OF THE CATALYTIC DOMAINS OF NORMAL RAS PROTEIN AND AN ONCOGENIC MUTANT COMPLEXED WITH GSP 分子名称: C-H-RAS P21 PROTEIN CATALYTIC DOMAIN, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION 著者 Kim, S.-H. 登録日 1991-09-25 公開日 1992-07-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structures at 2.2 A resolution of the catalytic domains of normal ras protein and an oncogenic mutant complexed with GDP. J.Mol.Biol., 217, 1991
1NY5	Crystal structure of sigm54 activator (AAA+ ATPase) in the inactive state 分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... 著者 Lee, S.Y, de la Torre, A, Kustu, S, Nixon, B.T, Wemmer, D.E. 登録日 2003-02-11 公開日 2003-11-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Regulation of the transcriptional activator NtrC1: structural studies of the regulatory and AAA+ ATPase domains Genes Dev., 17, 2003
3P7B	p38 inhibitor-bound 分子名称: 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Moffett, K.K, Namboodiri, H. 登録日 2010-10-12 公開日 2011-10-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
3P7A	p38 inhibitor-bound 分子名称: 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Moffett, K.K, Namboodiri, H. 登録日 2010-10-12 公開日 2011-10-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
3P8O	Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335 分子名称: HCV non-structural protein 4A, HCV serine protease NS3, N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide, ... 著者 Lemke, C.T. 登録日 2010-10-14 公開日 2011-01-26 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335. J.Biol.Chem., 286, 2011
7RQZ	Cryo-EM structure of the full-length TRPV1 with RTx at 48 degrees Celsius, in an open state, class alpha 分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... 著者 Kwon, D.H, Suo, Y, Lee, S.-Y. 登録日 2021-08-08 公開日 2022-06-01 実験手法 ELECTRON MICROSCOPY (3.32 Å) 主引用文献 Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
7RQY	Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an open state, class B 分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate, ... 著者 Kwon, D.H, Suo, Y, Lee, S.-Y. 登録日 2021-08-08 公開日 2022-06-01 実験手法 ELECTRON MICROSCOPY (3.04 Å) 主引用文献 Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
7RQX	Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an intermediate-open state, class A 分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... 著者 Kwon, D.H, Suo, Y, Lee, S.-Y. 登録日 2021-08-08 公開日 2022-06-01 実験手法 ELECTRON MICROSCOPY (3.36 Å) 主引用文献 Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
7RQU	Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in a closed state, class I 分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, SODIUM ION, ... 著者 Kwon, D.H, Suo, Y, Lee, S.-Y. 登録日 2021-08-08 公開日 2022-06-01 実験手法 ELECTRON MICROSCOPY (3.05 Å) 主引用文献 Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
7RQW	Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an open state, class III 分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ... 著者 Kwon, D.H, Suo, Y, Lee, S.-Y. 登録日 2021-08-08 公開日 2022-06-01 実験手法 ELECTRON MICROSCOPY (3.11 Å) 主引用文献 Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
7RQV	Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an intermediate-closed state, class II 分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... 著者 Kwon, D.H, Suo, Y, Lee, S.-Y. 登録日 2021-08-08 公開日 2022-06-01 実験手法 ELECTRON MICROSCOPY (3.45 Å) 主引用文献 Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
8E9F	WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10) 分子名称: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5 著者 Rietz, T.A, Fesik, S.W. 登録日 2022-08-26 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models. Proc.Natl.Acad.Sci.USA, 120, 2023

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