2WI4
| Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | 分子名称: | 4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine, HEAT SHOCK PROTEIN, HSP 90-ALPHA | 著者 | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | 登録日 | 2009-05-08 | 公開日 | 2009-07-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2Y0K
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2XJG
| Structure of HSP90 with small molecule inhibitor bound | 分子名称: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, 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, B, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-07-06 | 公開日 | 2010-08-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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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
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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
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2XJX
| Structure of HSP90 with small molecule inhibitor bound | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | 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 | 2010-07-06 | 公開日 | 2010-08-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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7PUF
| urate oxidase azaxanthine complex under 600 bar (60 MPa) of argon | 分子名称: | 8-AZAXANTHINE, ARGON, SODIUM ION, ... | 著者 | Prange, T, Colloc'h, N, Carpentier, P. | 登録日 | 2021-09-29 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D, 78, 2022
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7QSD
| Bovine complex I in the active state at 3.1 A | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | 著者 | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | 登録日 | 2022-01-13 | 公開日 | 2022-03-02 | 最終更新日 | 2023-03-08 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7Q75
| Room temperature structure of RNase A at atmospheric pressure | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | 著者 | Lieske, J, Guenther, S, Saouane, S, Meents, A. | 登録日 | 2021-11-09 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q7F
| Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | 著者 | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | 登録日 | 2021-11-09 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q7B
| Room temperature structure of RNase A at atmospheric pressure in a sapphire capillary after high helium gas pressure release | 分子名称: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | 著者 | Lieske, J, Guenther, S, Saouane, S, Meents, A. | 登録日 | 2021-11-09 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Fixed-target high-pressure macromolecular crystallography To Be Published
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7Q7E
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7Q7O
| Room temperature structure of the Rhodobacter Sphaeroides Photosynthetic Reaction Center F(M197)H mutant at atmospheric pressure after high helium gas pressure release | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | 著者 | Lieske, J, Guenther, S, Saouane, S, Selikhanov, G.K, Gabdulkhakov, A.G, Meents, A. | 登録日 | 2021-11-09 | 公開日 | 2022-11-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Fixed-target high-pressure macromolecular crystallography To Be Published
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7QH1
| Discovery and development of a novel inhaled antivirulence therapy for the treatment of Pseudomonas aeruginosa infections in patients with chronic respiratory disease | 分子名称: | 2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid, CALCIUM ION, Keratinase KP2, ... | 著者 | Leonard, P.M, Davies, D, Pallin, T.D. | 登録日 | 2021-12-10 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Chemical Optimization of Selective Pseudomonas aeruginosa LasB Elastase Inhibitors and Their Impact on LasB-Mediated Activation of IL-1 beta in Cellular and Animal Infection Models. Acs Infect Dis., 9, 2023
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7Q0N
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7PIU
| Cryo-EM structure of the agonist setmelanotide bound to the active melanocortin-4 receptor (MC4R) in complex with the heterotrimeric Gs protein at 2.6 A resolution. | 分子名称: | CALCIUM ION, Camelid antibody fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | 登録日 | 2021-08-23 | 公開日 | 2021-11-17 | 実験手法 | ELECTRON MICROSCOPY (2.58 Å) | 主引用文献 | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide. Cell Res., 31, 2021
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7PIV
| Active Melanocortin-4 receptor (MC4R)- Gs protein complex bound to agonist NDP-alpha-MSH at 2.86 A resolution. | 分子名称: | CALCIUM ION, Camelid antibody VHH fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P. | 登録日 | 2021-08-23 | 公開日 | 2021-11-17 | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | 主引用文献 | Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide. Cell Res., 31, 2021
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7R47
| Bovine complex I in the presence of IM1761092, deactive class iii (Composite map) | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ... | 著者 | Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J. | 登録日 | 2022-02-08 | 公開日 | 2023-02-08 | 実験手法 | ELECTRON MICROSCOPY (2.3 Å) | 主引用文献 | Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides. Science, 379, 2023
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7M4X
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7M4U
| A. baumannii Ribosome-Eravacycline complex: 30S | 分子名称: | 16s Ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2021-03-22 | 公開日 | 2021-05-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | 主引用文献 | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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7M4Y
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7M4Z
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7M4W
| A. baumannii Ribosome-Eravacycline complex: Empty 70S | 分子名称: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Morgan, C.E, Yu, E.W. | 登録日 | 2021-03-22 | 公開日 | 2021-05-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii. Mbio, 12, 2021
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6Q8S
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6Q8R
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