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

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4DE0	CTX-M-9 class A beta-lactamase complexed with compound 16 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide 著者 Nichols, D.N, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
3CFM	Crystal structure of the apo form of human wild-type transthyretin 分子名称: Transthyretin 著者 Lima, L.-M.T.R, Foguel, D, Polikarpov, I. 登録日 2008-03-04 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Identification of a novel ligand binding motif in the transthyretin channel. Bioorg.Med.Chem., 18, 2010
4QIR	Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-2-(pyridin-3-yl)ethylGlyP[CH2]Phe 分子名称: 3-{[(R)-1-amino-3-(pyridin-3-yl)propyl](hydroxy)phosphoryl}-(S)-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ... 著者 Nocek, B, Joachimiak, A, Berlicki, L, Vassiliou, S, Mucha, A. 登録日 2014-06-01 公開日 2014-09-24 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.701 Å) 主引用文献 Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
2I6A	Human Adenosine Kinase in Complex With 5'-Deoxy-5-Iodotubercidin 分子名称: 7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, Adenosine kinase 著者 Muchmore, S.W. 登録日 2006-08-28 公開日 2007-01-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J.Med.Chem., 49, 2006
3SRV	Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor 分子名称: 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK 著者 Somers, D.O, Neu, M. 登録日 2011-07-07 公開日 2011-09-21 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
4DDS	CTX-M-9 class A beta-lactamase complexed with compound 11 分子名称: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4BQJ	structure of HSP90 with an inhibitor bound 分子名称: 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G. 登録日 2013-05-30 公開日 2013-10-23 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90). Bioorg.Med.Chem., 21, 2013
1G2K	HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047 分子名称: 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE, PROTEASE RETROPEPSIN 著者 Lindberg, J, Unge, T. 登録日 2000-10-20 公開日 2001-06-01 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Synthesis and comparative molecular field analysis (CoMFA) of symmetric and nonsymmetric cyclic sulfamide HIV-1 protease inhibitors. J.Med.Chem., 44, 2001
4QO8	Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104 分子名称: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Eigenbrot, C, Ultsch, M. 登録日 2014-06-19 公開日 2014-07-16 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 24, 2014
6TDE	Tubulin-inhibitor complex 分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... 著者 Varela, P.F, Gigant, B. 登録日 2019-11-08 公開日 2020-09-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.286 Å) 主引用文献 Discovery of dihydrofuranoallocolchicinoids - Highly potent antimitotic agents with low acute toxicity. Eur.J.Med.Chem., 207, 2020
2I6B	Human Adenosine Kinase in Complex with An Acetylinic Inhibitor 分子名称: 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE, Adenosine kinase 著者 Muchmore, S.W. 登録日 2006-08-28 公開日 2007-01-02 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes. J.Med.Chem., 49, 2006
6CLW	Crystal structure of TnmH 分子名称: O-methyltransferase 著者 Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B. 登録日 2018-03-02 公開日 2019-03-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates. J.Med.Chem., 63, 2020
4Z1A	Structure of apo form KDO8PS from H.pylori 分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase 著者 Lee, B.J, Cho, S, Im, H, Yoon, H.J. 登録日 2015-03-27 公開日 2016-03-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
7TI0	Structure of CTX-M-15 bound to RPX-7063 at 1.5A 分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... 著者 Clifton, M.C, Abendroth, J, Hecker, S.J, Edwards, T.E. 登録日 2022-01-12 公開日 2022-05-18 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. Bioorg.Med.Chem., 62, 2022
4DDY	CTX-M-9 class A beta-lactamase complexed with compound 10 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
6CLX	Crystal structure of TnmH in complex with SAM 分子名称: O-methyltransferase, S-ADENOSYLMETHIONINE 著者 Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B. 登録日 2018-03-02 公開日 2019-03-06 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.73 Å) 主引用文献 Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates. J.Med.Chem., 63, 2020
4DE1	CTX-M-9 class A beta-lactamase complexed with compound 18 分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4DE3	CTX-M-9 class A beta-lactamase complexed with compound 4 分子名称: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
4QUO	Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe(3-CH2NH2) 分子名称: (2S)-2-[3-(aminomethyl)benzyl]-3-[(R)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]propanoic acid, Aminopeptidase N, GLYCEROL, ... 著者 Nocek, B, Mulligan, R, Joachimiak, A, Vassiliou, S, Berlicki, L, Mucha, A. 登録日 2014-07-11 公開日 2014-09-10 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. J.Med.Chem., 57, 2014
4Z1D	Structure of PEP and zinc bound KDO8PS from H.pylori 分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, PHOSPHOENOLPYRUVATE, ZINC ION 著者 Lee, B.J, Cho, S, Im, H, Yoon, H.J. 登録日 2015-03-27 公開日 2016-03-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
4Z1B	Structure of H204A mutant KDO8PS from H.pylori 分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase 著者 Lee, B.J, Cho, S, Im, H, Yoon, H.J. 登録日 2015-03-27 公開日 2016-03-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
3L7B	Crystal Structure of Glycogen Phosphorylase DK3 complex 分子名称: 4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one, Glycogen phosphorylase, muscle form 著者 Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. 登録日 2009-12-28 公開日 2010-10-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. Bioorg.Med.Chem., 18, 2010
4Z1C	Structure of Cadmium bound KDO8PS from H.pylori 分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION 著者 Lee, B.J, Cho, S, Im, H, Yoon, H.J. 登録日 2015-03-27 公開日 2016-03-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Identification of novel scaffolds for potential anti-Helicobacter pylori agents based on the crystal structure of H. pylori 3-deoxy-d-manno-octulosonate 8-phosphate synthase (HpKDO8PS). Eur.J.Med.Chem., 108, 2016
3L79	Crystal Structure of Glycogen Phosphorylase DK1 complex 分子名称: 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form 著者 Tsirkone, V.G, Lamprakis, C, Hayes, J.M, Skamnaki, V, Drakou, C, Zographos, S.E, Leonidas, D.D. 登録日 2009-12-28 公開日 2010-10-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. Bioorg.Med.Chem., 18, 2010
4DE2	CTX-M-9 class A beta-lactamase complexed with compound 12 分子名称: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE 著者 Nichols, D.A, Chen, Y. 登録日 2012-01-19 公開日 2012-03-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012

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