PDB: 160289 件ウェブページステータス検索Chemie searchBIRD

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6R9S	Human Cyclophilin D in complex with bicyclic fragment 分子名称: (1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... 著者 Graedler, U. 登録日 2019-04-04 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
6R9U	Human Cyclophilin D in complex with fragment 分子名称: 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ... 著者 Graedler, U. 登録日 2019-04-04 公開日 2019-11-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies. Bioorg.Med.Chem.Lett., 29, 2019
2GV7	Structure of Matriptase in Complex with Inhibitor CJ-672 分子名称: (S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE, Suppressor of tumorigenicity 14 著者 Bode, W. 登録日 2006-05-02 公開日 2006-06-06 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Secondary Amides of Sulfonylated 3-Amidinophenylalanine. New Potent and Selective Inhibitors of Matriptase. J.Med.Chem., 49, 2006
2GV6	Crystal Structure of Matriptase with Inhibitor CJ-730 分子名称: (S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE, Suppressor of tumorigenicity 14 著者 Bode, W. 登録日 2006-05-02 公開日 2006-06-06 最終更新日 2021-06-23 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Secondary Amides of Sulfonylated 3-Amidinophenylalanine. New Potent and Selective Inhibitors of Matriptase. J.Med.Chem., 49, 2006
6MJQ	Crystal structure of the mCD1d/xxp (JJ295) /iNKTCR ternary complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... 著者 Zajonc, D.M, Bitra, A, Janssens, J. 登録日 2018-09-21 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
3TPX	Crystal structure of human MDM2 in complex with a trifluoromethylated D-peptide inhibitor 分子名称: ACETATE ION, CHLORIDE ION, D-peptide inhibitor DPMI-delta, ... 著者 Wu, X, Pazgier, M. 登録日 2011-09-08 公開日 2012-06-20 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 An Ultrahigh Affinity d-Peptide Antagonist Of MDM2. J.Med.Chem., 55, 2012
6MJI	Crystal structure of the mCD1d/xxs (JJ304) /iNKTCR ternary complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... 著者 Zajonc, D.M, Bitra, A, Janssens, J. 登録日 2018-09-20 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
6MIY	Crystal structure of the mCD1d/xxa (JJ239)/iNKTCR ternary complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... 著者 Zajonc, D.M, Bitra, A, Janssens, J. 登録日 2018-09-20 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
6MJJ	Crystal structure of the mCD1d/xxm (JJ290) /iNKTCR ternary complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Zajonc, D.M, Bitra, A, Janssens, J. 登録日 2018-09-21 公開日 2019-01-09 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 4"-O-Alkylated alpha-Galactosylceramide Analogues as iNKT-Cell Antigens: Synthetic, Biological, and Structural Studies. ChemMedChem, 14, 2019
3ZBF	Structure of Human ROS1 Kinase Domain in Complex with Crizotinib 分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS 著者 McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. 登録日 2012-11-08 公開日 2013-06-12 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Acquired Resistance to Crizotinib from a Mutation in Cd74-Ros1 N.Engl.J.Med., 368, 2013
4AAW	S.pneumoniae GlmU in complex with an antibacterial inhibitor 分子名称: 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION 著者 Otterbein, L, Breed, J, Ogg, D.J. 登録日 2011-12-05 公開日 2012-02-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
4AC3	S.pneumoniae GlmU in complex with an antibacterial inhibitor 分子名称: BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION 著者 Otterbein, L, Breed, J, Ogg, D.J. 登録日 2011-12-12 公開日 2012-02-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series. Bioorg.Med.Chem.Lett., 22, 2012
3V7T	Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold 分子名称: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone 著者 Zhang, Y, Colonna, C, Michot, N. 登録日 2011-12-22 公開日 2012-03-14 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity Bioorg.Med.Chem.Lett., 22, 2012
2EYS	A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition 分子名称: ACETIC ACID, NKT15 著者 Kjer-Nielsen, L, Borg, N.A. 登録日 2005-11-09 公開日 2006-03-21 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition J.Exp.Med., 203, 2006
3SBI	Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide 分子名称: 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Grazulis, S, Manakova, E, Tamulaitiene, G. 登録日 2011-06-05 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur.J.Med.Chem., 51, 2012
2EYT	A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition 分子名称: NKT15 著者 Kjer-Nielsen, L, Borg, N.A. 登録日 2005-11-09 公開日 2006-03-21 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition J.Exp.Med., 203, 2006
3TYQ	SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase 分子名称: 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase 著者 Lesburg, C.A, Chen, K.X. 登録日 2011-09-26 公開日 2012-02-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors. J.Med.Chem., 55, 2012
3U17	Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(4-benzoylphenyl)-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, ... 著者 Gulick, A.M, Drake, E.J, Aldrich, C.C, Neres, J. 登録日 2011-09-29 公開日 2012-10-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii. J.Med.Chem., 56, 2013
2HWH	HCV NS5B allosteric inhibitor complex 分子名称: 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE, RNA-directed RNA polymerase (NS5B) (p68) 著者 Yao, N. 登録日 2006-08-01 公開日 2006-11-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
2HWI	HCV NS5B allosteric inhibitor complex 分子名称: (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID, RNA-directed RNA polymerase (NS5B) (p68) 著者 Yao, N. 登録日 2006-08-01 公開日 2006-11-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
2EYR	A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition 分子名称: NKT12 著者 Kjer-Nielsen, L, Borg, N.A. 登録日 2005-11-09 公開日 2006-03-21 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 A structural basis for selection and cross-species reactivity of the semi-invariant NKT cell receptor in CD1d/glycolipid recognition J.Exp.Med., 203, 2006
3U16	Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzyloxy)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid. 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[4-(benzyloxy)phenyl]-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, ... 著者 Gulick, A.M, Drake, E.J, Aldrich, C.C, Neres, J. 登録日 2011-09-29 公開日 2012-10-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii. J.Med.Chem., 56, 2013
3IJZ	Lactobacillus casei Thymidylate Synthase ternary complex with dUMP and Pthalimidic derivative 15C 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-acetylphenyl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase 著者 Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. 登録日 2009-08-05 公開日 2010-08-11 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
3IK0	Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase 著者 Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. 登録日 2009-08-05 公開日 2010-08-11 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
2NYZ	Viral Chemokine Binding Protein M3 From Murine Gammaherpesvirus68 In Complex With The C- Chemokine XCL1 分子名称: Hypothetical protein GAMMAHV.M3, Lymphotactin 著者 Alexander-Brett, J.M, Fremont, D.H. 登録日 2006-11-21 公開日 2007-12-25 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Dual GPCR and GAG mimicry by the M3 chemokine decoy receptor. J.Exp.Med., 204, 2007

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