5F56
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![BU of 5f56 by Molmil](/molmil-images/mine/5f56) | Structure of RecJ complexed with DNA and SSB-ct | Descriptor: | ALA-ASP-LEU-PRO-PHE, DNA (5'-D(*CP*TP*GP*AP*TP*GP*GP*CP*A)-3'), MANGANESE (II) ION, ... | Authors: | Zhao, Y, Hua, Y, Cheng, K. | Deposit date: | 2015-12-04 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for DNA 5 -end resection by RecJ Elife, 5, 2016
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5F55
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![BU of 5f55 by Molmil](/molmil-images/mine/5f55) | Structure of RecJ complexed with DNA | Descriptor: | DNA (5'-D(*GP*AP*TP*GP*TP*AP*CP*GP*CP*TP*AP*GP*GP*C)-3'), MANGANESE (II) ION, SULFATE ION, ... | Authors: | Hua, Y, Zhao, Y, Cheng, K. | Deposit date: | 2015-12-04 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for DNA 5 -end resection by RecJ Elife, 5, 2016
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1B0V
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![BU of 1b0v by Molmil](/molmil-images/mine/1b0v) | I40N MUTANT OF AZOTOBACTER VINELANDII FDI | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN) | Authors: | Sridhar, V, Prasad, G.S, Stout, C.D, Chen, K, Burgess, B.K. | Deposit date: | 1998-11-12 | Release date: | 2000-01-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Alteration of the reduction potential of the [4Fe-4S](2+/+) cluster of Azotobacter vinelandii ferredoxin I. J.Biol.Chem., 274, 1999
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6N64
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![BU of 6n64 by Molmil](/molmil-images/mine/6n64) | Crystal structure of mouse SMCHD1 hinge domain | Descriptor: | Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1 | Authors: | Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M. | Deposit date: | 2018-11-25 | Release date: | 2020-06-17 | Last modified: | 2021-01-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues. Sci.Signal., 13, 2020
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8IOO
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![BU of 8ioo by Molmil](/molmil-images/mine/8ioo) | |
7W8D
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![BU of 7w8d by Molmil](/molmil-images/mine/7w8d) | The structure of Deinococcus radiodurans RuvC | Descriptor: | Crossover junction endodeoxyribonuclease RuvC, MAGNESIUM ION | Authors: | Cheng, K. | Deposit date: | 2021-12-07 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.75016141 Å) | Cite: | Biochemical and Structural Study of RuvC and YqgF from Deinococcus radiodurans. Mbio, 13, 2022
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7W89
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![BU of 7w89 by Molmil](/molmil-images/mine/7w89) | The structure of Deinococcus radiodurans Yqgf | Descriptor: | Putative pre-16S rRNA nuclease | Authors: | Cheng, K. | Deposit date: | 2021-12-07 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.500061 Å) | Cite: | Biochemical and Structural Study of RuvC and YqgF from Deinococcus radiodurans. Mbio, 13, 2022
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7WRW
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![BU of 7wrw by Molmil](/molmil-images/mine/7wrw) | Structure of Deinococcus radiodurans HerA | Descriptor: | HerA | Authors: | Cheng, K. | Deposit date: | 2022-01-27 | Release date: | 2023-02-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.00008273 Å) | Cite: | Structural and DNA end resection study of the bacterial NurA-HerA complex. Bmc Biol., 21, 2023
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7WRX
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![BU of 7wrx by Molmil](/molmil-images/mine/7wrx) | Structure of Deinococcus radiodurans HerA-ADP complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HerA, MAGNESIUM ION | Authors: | Cheng, K. | Deposit date: | 2022-01-27 | Release date: | 2023-02-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.40003562 Å) | Cite: | Structural and DNA end resection study of the bacterial NurA-HerA complex. Bmc Biol., 21, 2023
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1Q09
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![BU of 1q09 by Molmil](/molmil-images/mine/1q09) | Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group I4122) | 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 (2.5 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q06
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![BU of 1q06 by Molmil](/molmil-images/mine/1q06) | Crystal structure of the Ag(I) form of E. coli CueR, a copper efflux regulator | Descriptor: | SILVER 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 (2.07 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q08
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![BU of 1q08 by Molmil](/molmil-images/mine/1q08) | Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator, at 1.9 A resolution (space group P212121) | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ... | 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 (1.9 Å) | Cite: | Molecular basis of metal-ion selectivity and zeptomolar sensitivity by CueR Science, 301, 2003
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1Q05
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![BU of 1q05 by Molmil](/molmil-images/mine/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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1Q07
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![BU of 1q07 by Molmil](/molmil-images/mine/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
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![BU of 1q0a by Molmil](/molmil-images/mine/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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5IE1
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![BU of 5ie1 by Molmil](/molmil-images/mine/5ie1) | Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide | Descriptor: | 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T. | Deposit date: | 2016-02-24 | Release date: | 2016-03-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase. J.Med.Chem., 59, 2016
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2OC8
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![BU of 2oc8 by Molmil](/molmil-images/mine/2oc8) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, 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.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, 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 (2.66 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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4MSU
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![BU of 4msu by Molmil](/molmil-images/mine/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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2A4G
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![BU of 2a4g by Molmil](/molmil-images/mine/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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2OC1
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![BU of 2oc1 by Molmil](/molmil-images/mine/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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2OBO
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![BU of 2obo by Molmil](/molmil-images/mine/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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2OBQ
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![BU of 2obq by Molmil](/molmil-images/mine/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
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![BU of 2oc0 by Molmil](/molmil-images/mine/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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2OC7
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![BU of 2oc7 by Molmil](/molmil-images/mine/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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2YKR
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![BU of 2ykr by Molmil](/molmil-images/mine/2ykr) | 30S ribosomal subunit with RsgA bound in the presence of GMPPNP | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Guo, Q, Yuan, Y, Xu, Y, Feng, B, Liu, L, Chen, K, Lei, J, Gao, N. | Deposit date: | 2011-05-30 | Release date: | 2011-08-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Structural Basis for the Function of a Small Gtpase Rsga on the 30S Ribosomal Subunit Maturation Revealed by Cryoelectron Microscopy. Proc.Natl.Acad.Sci.USA, 108, 2011
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