3ICN
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![BU of 3icn by Molmil](/molmil-images/mine/3icn) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate and 3-Fluoro-1-(2-hydroxy-2,2-bis-phosphono-ethyl)-pyridinium | 分子名称: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-17 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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3ICM
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![BU of 3icm by Molmil](/molmil-images/mine/3icm) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate, Mg2+ and 1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3-phenyl-pyridinium | 分子名称: | 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | 著者 | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | 登録日 | 2009-07-17 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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1GQ1
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![BU of 1gq1 by Molmil](/molmil-images/mine/1gq1) | CYTOCHROME CD1 NITRITE REDUCTASE, Y25S mutant, OXIDISED FORM | 分子名称: | CYTOCHROME CD1 NITRITE REDUCTASE, GLYCEROL, HEME C, ... | 著者 | Sjogren, T, Gordon, E.H.J, Lofqvist, M, Richter, C.D, Hajdu, J, Ferguson, S.J. | 登録日 | 2001-11-19 | 公開日 | 2002-11-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure and Kinetic Properties of Paracoccus Pantotrophus Cytochrome Cd1 Nitrite Reductase with the D1 Heme Active Site Ligand Tyrosine 25 Replaced by Serine J.Biol.Chem., 278, 2003
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6XOC
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![BU of 6xoc by Molmil](/molmil-images/mine/6xoc) | Crystal structure of glVRC01 Fab in complex with anti-idiotypic iv4 Fab | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Aljedani, S.S, Weidle, C, Pancera, M. | 登録日 | 2020-07-06 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Development of a VRC01-class germline targeting immunogen derived from anti-idiotypic antibodies. Cell Rep, 35, 2021
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3K1O
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![BU of 3k1o by Molmil](/molmil-images/mine/3k1o) | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole | 分子名称: | 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14 alpha-demethylase | 著者 | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | 登録日 | 2009-09-28 | 公開日 | 2009-10-27 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi. J.Biol.Chem., 285, 2010
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3KSW
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![BU of 3ksw by Molmil](/molmil-images/mine/3ksw) | Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide) | 分子名称: | 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | 著者 | Lepesheva, G.I, Hargrove, T.Y, Anderson, S, Wawrzak, Z, Waterman, M.R. | 登録日 | 2009-11-23 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi. J.Biol.Chem., 285, 2010
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4CZY
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![BU of 4czy by Molmil](/molmil-images/mine/4czy) | Complex of Neurospora crassa PAN2 (WD40-CS1) with PAN3 (pseudokinase and C-term) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2, ... | 著者 | Jonas, S, Izaurralde, E, Weichenrieder, O. | 登録日 | 2014-04-22 | 公開日 | 2014-06-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay. Nat.Struct.Mol.Biol., 21, 2014
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2HHC
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![BU of 2hhc by Molmil](/molmil-images/mine/2hhc) | Crystal structure of fucosyltransferase NodZ from Bradyrhizobium | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nodulation fucosyltransferase NodZ, PHOSPHATE ION | 著者 | Brzezinski, K, Stepkowski, T, Panjikar, S, Bujacz, G, Jaskolski, M. | 登録日 | 2006-06-28 | 公開日 | 2007-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | High-resolution structure of NodZ fucosyltransferase involved in the biosynthesis of the nodulation factor. Acta Biochim.Pol., 54, 2007
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7YSZ
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![BU of 7ysz by Molmil](/molmil-images/mine/7ysz) | Spiroplasma melliferum FtsZ bound to GDP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | 著者 | Chakraborty, J, Pananghat, G. | 登録日 | 2022-08-13 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3000412 Å) | 主引用文献 | Structural basis of kinetic polarity of FtsZ from a cell wall less bacterium Spiroplasma To Be Published
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7YOP
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![BU of 7yop by Molmil](/molmil-images/mine/7yop) | |
1MZ6
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![BU of 1mz6 by Molmil](/molmil-images/mine/1mz6) | Trypanosoma rangeli sialidase in complex with the inhibitor DANA | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, sialidase | 著者 | Buschiazzo, A, Tavares, G.A, Campetella, O, Spinelli, S, Cremona, M.L, Paris, G, Amaya, M.F, Frasch, A.C.C, Alzari, P.M. | 登録日 | 2002-10-05 | 公開日 | 2002-10-16 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis of sialyltransferase activity in trypanosomal sialidases Embo J., 19, 2000
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3COW
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![BU of 3cow by Molmil](/molmil-images/mine/3cow) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution- in complex with sulphonamide inhibitor 2 | 分子名称: | 5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine, ETHANOL, GLYCEROL, ... | 著者 | Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C. | 登録日 | 2008-03-29 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate. Chembiochem, 9, 2008
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5MMB
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![BU of 5mmb by Molmil](/molmil-images/mine/5mmb) | Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ434 (compound 6p) | 分子名称: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), GLYCEROL, ... | 著者 | Maskell, D.P, Pye, V.E, Cherepanov, P. | 登録日 | 2016-12-09 | 公開日 | 2017-08-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors. J. Med. Chem., 60, 2017
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3COZ
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![BU of 3coz by Molmil](/molmil-images/mine/3coz) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.0 Ang resolution- in complex with sulphonamide inhibitor 4 | 分子名称: | 5'-O-(D-valylsulfamoyl)adenosine, ETHANOL, GLYCEROL, ... | 著者 | Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C. | 登録日 | 2008-03-29 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate. Chembiochem, 9, 2008
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7TQ7
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![BU of 7tq7 by Molmil](/molmil-images/mine/7tq7) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c | 分子名称: | N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ4
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![BU of 7tq4 by Molmil](/molmil-images/mine/7tq4) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c | 分子名称: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ3
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![BU of 7tq3 by Molmil](/molmil-images/mine/7tq3) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c | 分子名称: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 著者 | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ2
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![BU of 7tq2 by Molmil](/molmil-images/mine/7tq2) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c | 分子名称: | 3C-like proteinase, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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3COY
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![BU of 3coy by Molmil](/molmil-images/mine/3coy) | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.05 Ang resolution- in complex with sulphonamide inhibitor 3 | 分子名称: | 5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine, ETHANOL, GLYCEROL, ... | 著者 | Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C. | 登録日 | 2008-03-29 | 公開日 | 2008-10-07 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate. Chembiochem, 9, 2008
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1N1V
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![BU of 1n1v by Molmil](/molmil-images/mine/1n1v) | Trypanosoma rangeli sialidase in complex with DANA | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, SULFATE ION, Sialidase | 著者 | Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. | 登録日 | 2002-10-21 | 公開日 | 2003-01-07 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The high resolution structures of free and
inhibitor-bound Trypanosoma rangeli
sialidase and its comparison with T.
cruzi trans-sialidase J.Mol.Biol., 325, 2003
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7TQ5
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![BU of 7tq5 by Molmil](/molmil-images/mine/7tq5) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d | 分子名称: | (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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1N1S
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![BU of 1n1s by Molmil](/molmil-images/mine/1n1s) | Trypanosoma rangeli sialidase | 分子名称: | SULFATE ION, Sialidase | 著者 | Amaya, M.F, Buschiazzo, A, Nguyen, T, Alzari, P.M. | 登録日 | 2002-10-20 | 公開日 | 2003-01-07 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The high resolution structures of free and
inhibitor-bound Trypanosoma rangeli
sialidase and its comparison with T. cruzi
trans-sialidase J.Mol.Biol., 325, 2003
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4OL9
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![BU of 4ol9 by Molmil](/molmil-images/mine/4ol9) | |
7TQ6
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![BU of 7tq6 by Molmil](/molmil-images/mine/7tq6) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d | 分子名称: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ... | 著者 | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-02-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TQ8
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![BU of 7tq8 by Molmil](/molmil-images/mine/7tq8) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d | 分子名称: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ... | 著者 | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-01-26 | 公開日 | 2022-03-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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