PDB: 12119 件ウェブページステータス検索Chemie searchBIRD

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3WWA	Crystal structure of the computationally designed Pizza7 protein after heat treatment 分子名称: ISOPROPYL ALCOHOL, Pizza7H protein 著者 Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. 登録日 2014-06-17 公開日 2014-10-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.988 Å) 主引用文献 Computational design of a self-assembling symmetrical beta-propeller protein. Proc.Natl.Acad.Sci.USA, 111, 2014
4B1E	New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain 分子名称: (2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine, BETA-SECRETASE 1 著者 Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. 登録日 2012-07-10 公開日 2012-10-10 最終更新日 2018-02-14 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
2XDS	Structure of HSP90 with small molecule inhibitor bound 分子名称: 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. 登録日 2010-05-07 公開日 2010-09-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
2XDU	Structure of HSP90 with small molecule inhibitor bound 分子名称: 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA, ... 著者 Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. 登録日 2010-05-07 公開日 2010-09-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency. J.Med.Chem., 53, 2010
4B1C	New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain 分子名称: (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE 著者 Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. 登録日 2012-07-10 公開日 2012-10-10 最終更新日 2018-02-14 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
4B78	Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain 分子名称: (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 著者 Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. 登録日 2012-08-16 公開日 2013-06-26 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
4B72	Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain 分子名称: (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 著者 Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. 登録日 2012-08-16 公開日 2013-06-26 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
4B1D	New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain 分子名称: (2S)-2-(4-methoxy-3,5-dimethylphenyl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)-2H-imidazol-4-amine, ACETATE ION, BETA-SECRETASE 1 著者 Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. 登録日 2012-07-10 公開日 2012-10-10 最終更新日 2018-02-14 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
4B70	Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain 分子名称: (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1 著者 Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. 登録日 2012-08-16 公開日 2013-06-26 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
4B77	Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain 分子名称: (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE 著者 Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. 登録日 2012-08-16 公開日 2013-06-26 最終更新日 2013-07-03 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
6EBX	STRUCTURE DETERMINATION OF A DIMERIC FORM OF ERABUTOXIN B, CRYSTALLIZED FROM THIOCYANATE SOLUTION 分子名称: ERABUTOXIN B, THIOCYANATE ION 著者 Prange, T, Saludjian, P. 登録日 1991-05-31 公開日 1993-01-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure determination of a dimeric form of erabutoxin-b, crystallized from a thiocyanate solution. Acta Crystallogr.,Sect.B, 48, 1992
5OR0	NMR derived model of the 5'-splice site of SMN2 in complex with the 5'-end of U1 snRNA 分子名称: RNA (5'-R(P*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3') 著者 Campagne, S, Clery, A, Allain, F.H. 登録日 2017-08-14 公開日 2017-08-30 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 Binding to SMN2 pre-mRNA-protein complex elicits specificity for small molecule splicing modifiers. Nat Commun, 8, 2017
3L41	Crystal Structure of S. pombe Brc1 BRCT5-BRCT6 domains in complex with phosphorylated H2A 分子名称: BRCT-containing protein 1, phosphorylated H2A tail 著者 Williams, R.S, Williams, J.S, Guenther, G, Tainer, J.A. 登録日 2009-12-18 公開日 2010-02-09 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 gammaH2A binds Brc1 to maintain genome integrity during S-phase. Embo J., 29, 2010
3L40	Crystal Structure of S. pombe Brc1 BRCT5-BRCT6 domains 分子名称: BRCT-containing protein 1 著者 Williams, R.S, Williams, J.S, Guenther, G, Tainer, J.A. 登録日 2009-12-18 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 gammaH2A binds Brc1 to maintain genome integrity during S-phase. Embo J., 29, 2010
6AS8	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside 分子名称: Fml fimbrial adhesin FmlD, ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside 著者 Kalas, V, Hultgren, S.J. 登録日 2017-08-23 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.101 Å) 主引用文献 Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6ARO	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with 8-hydroxyquinoline beta-galactoside 分子名称: 8-hydroxyquinoline beta-galactopyranoside, F9 pilus adhesin FmlH, SULFATE ION 著者 Kalas, V, Hultgren, S.J. 登録日 2017-08-23 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6ARM	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-nitrophenyl beta-galactoside (ONPG) 分子名称: 2-nitrophenyl beta-D-galactopyranoside, F9 pilus adhesin FmlH, SULFATE ION 著者 Kalas, V, Hultgren, S.J. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6ARN	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-methoxyphenyl beta-galactoside (OMPG) 分子名称: 2-methoxyphenyl beta-D-galactopyranoside, Putative Fml fimbrial adhesin FmlD, SULFATE ION 著者 Kalas, V, Hultgren, S.J. 登録日 2017-08-22 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6AOY	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with o-nitrophenyl beta-galactoside (ONPG) 分子名称: 2-nitrophenyl beta-D-galactopyranoside, Fml fimbrial adhesin FmlD, SULFATE ION 著者 Kalas, V, Hultgren, S.J. 登録日 2017-08-16 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6AOW	Crystal structure of lectin domain of F9 pilus adhesin FmlH from E. coli UTI89 分子名称: F9 pilus adhesin FmlH, SULFATE ION 著者 Kalas, V, Hultgren, S.J. 登録日 2017-08-16 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6AOX	F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with TF antigen 分子名称: Fml fimbrial adhesin FmlD, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose 著者 Kalas, V, Hultgren, S.J. 登録日 2017-08-16 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA, 115, 2018
6WNK	Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome 分子名称: (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ... 著者 Hsu, H.C, Li, H. 登録日 2020-04-22 公開日 2021-04-28 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome. J.Med.Chem., 64, 2021
6NZT	Crystal structure of HCV NS3/4A protease in complex with voxilaprevir 分子名称: HCV NS3/4A protease, SULFATE ION, Voxilaprevir, ... 著者 Appleby, T.C, Taylor, J.G. 登録日 2019-02-14 公開日 2019-07-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®. Bioorg.Med.Chem.Lett., 29, 2019
6NZV	Crystal structure of HCV NS3/4A protease in complex with compound 12 分子名称: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ... 著者 Appleby, T.C, Taylor, J.G. 登録日 2019-02-14 公開日 2019-07-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®. Bioorg.Med.Chem.Lett., 29, 2019
1QHI	HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE 分子名称: 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION 著者 Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. 登録日 1999-05-12 公開日 1999-07-09 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir. FEBS Lett., 443, 1999

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