1F5C
| CRYSTAL STRUCTURE OF F25H FERREDOXIN 1 MUTANT FROM AZOTOBACTER VINELANDII AT 1.75 ANGSTROM RESOLUTION | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN 1, IRON/SULFUR CLUSTER, ... | Authors: | Chen, K, Bonagura, C.A, Tilley, G.J, Jung, Y.S, Armstrong, F.A, Stout, C.D, Burgess, B.K. | Deposit date: | 2000-06-13 | Release date: | 2000-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of ferredoxin variants exhibiting large changes in [Fe-S] reduction potential. Nat.Struct.Biol., 9, 2002
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1F5B
| CRYSTAL STRUCTURE OF F2H FERREDOXIN 1 MUTANT FROM AZOTOBACTER VINELANDII AT 1.75 ANGSTROM RESOLUTION | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN 1, IRON/SULFUR CLUSTER | Authors: | Chen, K, Bonagura, C.A, Tilley, G.J, Jung, Y.S, Armstrong, F.A, Stout, C.D, Burgess, B.K. | Deposit date: | 2000-06-13 | Release date: | 2000-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structures of ferredoxin variants exhibiting large changes in [Fe-S] reduction potential. Nat.Struct.Biol., 9, 2002
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2JYW
| Solution structure of C-terminal domain of APOBEC3G | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | Authors: | Chen, K, Harjes, E, Gross, P.J, Fahmy, A, Lu, Y, Shindo, K, Harris, R.S, Matsuo, H. | Deposit date: | 2007-12-20 | Release date: | 2008-02-26 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the DNA deaminase domain of the HIV-1 restriction factor APOBEC3G. Nature, 452, 2008
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5AF0
| MAEL domain from Bombyx mori Maelstrom | Descriptor: | MAELSTROM, ZINC ION | Authors: | Chen, K, Campbell, E, Pandey, R.R, Yang, Z, McCarthy, A.A, Pillai, R.S. | Deposit date: | 2015-01-13 | Release date: | 2015-04-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Metazoan Maelstrom is an RNA-Binding Protein that Has Evolved from an Ancient Nuclease Active in Protists. RNA, 21, 2015
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1D3W
| Crystal structure of ferredoxin 1 d15e mutant from azotobacter vinelandii at 1.7 angstrom resolution. | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN 1, IRON/SULFUR CLUSTER | Authors: | Chen, K, Hirst, J, Camba, R, Bonagura, C.A, Stout, C.D, Burges, B.K, Armstrong, F.A. | Deposit date: | 1999-10-01 | Release date: | 1999-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Atomically defined mechanism for proton transfer to a buried redox centre in a protein. Nature, 405, 2000
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8JRU
| Cryo-EM structure of the glucagon receptor bound to beta-arrestin 1 in ligand-free state | Descriptor: | Beta-arrestin 1 and single-chain fragment variable 30 (scFv30), HA signal peptide,HPC4 purification tag,Glucagon receptor,C-terminal tail of Vasopressin V2 receptor, Nanobody 32, ... | Authors: | Chen, K, Zhang, C, Lin, S, Zhao, Q, Wu, B. | Deposit date: | 2023-06-17 | Release date: | 2023-08-16 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Tail engagement of arrestin at the glucagon receptor. Nature, 620, 2023
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8JRV
| Cryo-EM structure of the glucagon receptor bound to glucagon and beta-arrestin 1 | Descriptor: | Beta-arrestin 1 and single-chain fragment variable 30 (scFv30), Glucagon, HA signal peptide,HPC4 purification tag,Glucagon receptor,C-terminal tail of Vasopressin V2 receptor, ... | Authors: | Chen, K, Zhang, C, Lin, S, Zhao, Q, Wu, B. | Deposit date: | 2023-06-17 | Release date: | 2023-08-16 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Tail engagement of arrestin at the glucagon receptor. Nature, 620, 2023
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5Y4E
| Crystal Structure of AnkB Ankyrin Repeats R8-14 in complex with autoinhibition segment AI-b | Descriptor: | Ankyrin-2,Ankyrin-2, GLYCEROL, SULFATE ION | Authors: | Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. | Deposit date: | 2017-08-03 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions. Elife, 6, 2017
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5Y4D
| Crystal Structure of AnkB Ankyrin Repeats in Complex with AnkR/AnkB Chimeric Autoinhibition Segment | Descriptor: | Ankyrin-1,Ankyrin-2,Ankyrin-2, SULFATE ION | Authors: | Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. | Deposit date: | 2017-08-03 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions. Elife, 6, 2017
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5Y4F
| Crystal Structure of AnkB Ankyrin Repeats R13-24 in complex with autoinhibition segment AI-c | Descriptor: | ACETATE ION, Ankyrin-2, CALCIUM ION | Authors: | Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M. | Deposit date: | 2017-08-03 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions. Elife, 6, 2017
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4MSU
| Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | Authors: | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | Deposit date: | 2013-09-18 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept. J.Med.Chem., 57, 2014
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4FZ3
| Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ZINC ION, ... | Authors: | Liu, D, Wu, J, Zhang, D, Chen, K, Jiang, H, Liu, H. | Deposit date: | 2012-07-06 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate J.Med.Chem., 56, 2013
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6M3Q
| Crystal structure of AnkB/beta4-spectrin complex | Descriptor: | Ankyrin-2, Spectrin beta chain | Authors: | Li, J, Chen, K, Zhu, R, Zhang, M. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.436 Å) | Cite: | Structural Basis Underlying Strong Interactions between Ankyrins and Spectrins. J.Mol.Biol., 432, 2020
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8F2R
| Human CCC complex | Descriptor: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | Authors: | Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J. | Deposit date: | 2022-11-08 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome. Cell, 186, 2023
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8F2U
| Human CCC complex | Descriptor: | COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ... | Authors: | Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J. | Deposit date: | 2022-11-08 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome. Cell, 186, 2023
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2A4G
| Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | Deposit date: | 2005-06-28 | Release date: | 2006-07-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency. Bioorg.Med.Chem.Lett., 15, 2005
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7TAK
| Structure of a NAT transporter | Descriptor: | GUANINE, Putative membrane protein PurT | Authors: | Weng, J, Zhou, X, Ren, Z, Chen, K, Zhou, M. | Deposit date: | 2021-12-21 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.79828 Å) | Cite: | Structure of a NAT transporter To Be Published
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2OBQ
| Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | Descriptor: | Hepatitis C virus, ZINC ION | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-19 | Release date: | 2007-07-31 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC0
| Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OBO
| Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-19 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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2OC1
| Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | Descriptor: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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1Q07
| Crystal structure of the Au(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | GOLD ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q0A
| Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group C222) | Descriptor: | SULFATE ION, ZINC ION, Zn(II)-responsive regulator of zntA | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q05
| Crystal structure of the Cu(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | COPPER (I) ION, Transcriptional regulator cueR | Authors: | Changela, A, Chen, K, Xue, Y, Holschen, J, Outten, C.E, O'Halloran, T.V, Mondragon, A. | Deposit date: | 2003-07-15 | Release date: | 2003-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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2OC7
| Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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