7SPO
 
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7SZO
 | | Structure of a bacterial fimbrial tip containing FocH | | 分子名称: | Chaperone protein FimC, FimF protein, FimG, ... | | 著者 | Stenkamp, R.E, Le Trong, I, Aprikian, P, Sokurenko, E.V. | | 登録日 | 2021-11-29 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Recombinant FimH Adhesin Demonstrates How the Allosteric Catch Bond Mechanism Can Support Fast and Strong Bacterial Attachment in the Absence of Shear.
J.Mol.Biol., 434, 2022
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4BBX
 | | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia | | 分子名称: | 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | 著者 | Bartolome-Nebreda, J.M, Conde-Ceide, S, Delgado, F, Martin, M.L, Martinez-Viturro, C.M, Pastor, J, Tong, H.M, Iturrino, L, Macdonald, G.J, Sanderson, W, Megens, A, Langlois, X, Somers, M, Vanhoof, G. | | 登録日 | 2012-09-28 | | 公開日 | 2013-10-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia.
J.Med.Chem., 57, 2014
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4DXB
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5LQ4
 | | The Structure of ThcOx, the First Oxidase Protein from the Cyanobactin Pathways | | 分子名称: | CyaGox, FLAVIN MONONUCLEOTIDE | | 著者 | Bent, A.F, Wagner, A, Naismith, J.H. | | 登録日 | 2016-08-16 | | 公開日 | 2016-11-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at Diamond Light Source beamline I23 by means of S-SAD.
Acta Crystallogr D Struct Biol, 72, 2016
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4DXC
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4E90
 | | Human phosphodiesterase 9 in complex with inhibitors | | 分子名称: | 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-03-20 | | 公開日 | 2013-02-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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3H0E
 | | 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3 | | 分子名称: | (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol, Caspase-3 | | 著者 | Xu, W. | | 登録日 | 2009-04-09 | | 公開日 | 2009-11-17 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3
Bioorg.Med.Chem., 17, 2009
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3GQ2
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3GRL
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3IR2
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6CBJ
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6CSN
 | | Crystal structure of the designed light-gated anion channel iC++ at pH8.5 | | 分子名称: | CHLORIDE ION, OLEIC ACID, RETINAL, ... | | 著者 | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | 登録日 | 2018-03-21 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
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6CSM
 | | Crystal structure of the natural light-gated anion channel GtACR1 | | 分子名称: | GtACR1, OLEIC ACID, RETINAL | | 著者 | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | 登録日 | 2018-03-21 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
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6CBP
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6CSO
 | | Crystal structure of the designed light-gated anion channel iC++ at pH6.5 | | 分子名称: | OLEIC ACID, RETINAL, iC++ | | 著者 | Kato, H.E, Kim, Y, Yamashita, K, Kobilka, B.K, Deisseroth, K. | | 登録日 | 2018-03-21 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural mechanisms of selectivity and gating in anion channelrhodopsins.
Nature, 561, 2018
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3JWN
 | | Complex of FimC, FimF, FimG and FimH | | 分子名称: | Chaperone protein fimC, FimH protein, GLYCEROL, ... | | 著者 | Le Trong, I, Aprikian, P, Stenkamp, R.E, Sokurenko, E.V. | | 登録日 | 2009-09-18 | | 公開日 | 2010-06-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structural basis for mechanical force regulation of the adhesin FimH via finger trap-like beta sheet twisting.
Cell(Cambridge,Mass.), 141, 2010
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3A2O
 | | Crystal Structure of HIV-1 Protease Complexed with KNI-1689 | | 分子名称: | (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide, GLYCEROL, PROTEASE | | 著者 | Adachi, M, Tamada, T, Hidaka, K, Kimura, T, Kiso, Y, Kuroki, R. | | 登録日 | 2009-05-26 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | | 主引用文献 | Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
J.Med.Chem., 52, 2009
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3CB8
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6UVS
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4G2L
 | | Human PDE9 in complex with selective compound | | 分子名称: | 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-07-12 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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4G2J
 | | Human pde9 in complex with selective compound | | 分子名称: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Liu, S. | | 登録日 | 2012-07-12 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.
J.Med.Chem., 55, 2012
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6UVT
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6UVR
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6V2F
 | | Crystal structure of the HIV capsid hexamer bound to the small molecule long-acting inhibitor, GS-6207 | | 分子名称: | HIV-1 capsid, N-[(1S)-1-(3-{4-chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-methyl-3-(methylsulfonyl)but-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | | 著者 | Appleby, T.C, Link, J.O, Yant, S.R, Villasenor, A.G, Somoza, J.R, Hu, E.Y, Schroeder, S.D, Cihlar, T. | | 登録日 | 2019-11-22 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Clinical targeting of HIV capsid protein with a long-acting small molecule.
Nature, 584, 2020
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