9AVL
 
 | | Structure of human calcium-sensing receptor in complex with Gi3 protein in nanodiscs | | 分子名称: | (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R. | | 登録日 | 2024-03-04 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
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9AVK
 | | Structure of long Rib domain from Limosilactobacillus reuteri | | 分子名称: | SODIUM ION, THIOCYANATE ION, YSIRK signal domain/LPXTG anchor domain surface protein | | 著者 | Xue, Y, Kang, X. | | 登録日 | 2024-03-04 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Crystal structure of the long Rib domain of the LPXTG-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
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9AVG
 | | Structure of human calcium-sensing receptor in complex with chimeric Gs (miniGis) protein in nanodiscs | | 分子名称: | (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R. | | 登録日 | 2024-03-02 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
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9AVA
 | | Co-crystal structure of human TREX1 in complex with an inhibitor | | 分子名称: | (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ... | | 著者 | Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-01 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
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9AV7
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9AV6
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9AUC
 | | Human Amylin1 Receptor in Complex with Gs and human Calcitonin Gene-Related Peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin gene-related peptide 1, ... | | 著者 | Cao, J, Belousoff, M.J, Wootten, D.L, Sexton, P.M. | | 登録日 | 2024-02-28 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | | 主引用文献 | Cryo-EM Structure of the Human Amylin 1 Receptor in Complex with CGRP and Gs Protein.
Biochemistry, 63, 2024
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9ATX
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9ATU
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9ATT
 | | Crystal structure of MERS 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (R-enantiomer) | | 分子名称: | (1R,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-27 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATS
 | | Crystal structure of MERS 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) | | 分子名称: | (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-27 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATN
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9ATK
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9ATJ
 | | Crystal structure of MERS 3CL protease in complex with a m-chlorobenzyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(3-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATI
 | | Crystal structure of MERS 3CL protease in complex with a racemic bicyclo[2.2.1]heptenyl-methyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATH
 | | Crystal structure of MERS 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATG
 | | Crystal structure of MERS 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATF
 | | Crystal structure of MERS 3CL protease in complex with a 1-methyl-4,4-difluorocyclohexyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATE
 | | Crystal structure of MERS 3CL protease in complex with a methylbicyclo[2.2.1]heptane 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATD
 | | Crystal structure of MERS 3CL protease in complex with a ethylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9ATC
 | | ATCASE Y165F MUTANT | | 分子名称: | ASPARTATE TRANSCARBAMOYLASE, ZINC ION | | 著者 | Ha, Y, Allewell, N.M. | | 登録日 | 1998-06-26 | | 公開日 | 1999-07-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Intersubunit hydrogen bond acts as a global molecular switch in Escherichia coli aspartate transcarbamoylase.
Proteins, 33, 1998
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9ATA
 | | Crystal structure of MERS 3CL protease in complex with a phenylethyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9AT8
 | | Fab 77-stabilized MeV F ectodomain fragment | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, mAB 77 heavy chain, ... | | 著者 | Zyla, D, Saphire, E.O. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | A neutralizing antibody prevents postfusion transition of measles virus fusion protein.
Science, 384, 2024
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9AT7
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9AT6
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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