1KLT
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1MEM
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4WTF
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![BU of 4wtf by Molmil](/molmil-images/mine/4wtf) | CRYSTAL STRUCTURE OF HCV NS5B GENOTYPE 2A JFH-1 ISOLATE WITH S15G E86Q E87Q C223H V321I MUTATIONS AND DELTA8 BETA HAIRPIN LOOP DELETION IN COMPLEX WITH GS-639475, MN2+ AND SYMMETRICAL PRIMER TEMPLATE 5'-CAAAAUUU | Descriptor: | 2'-C-methyluridine 5'-(trihydrogen diphosphate), CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Edwards, T.E, Appleby, T.C, Mcgrath, M.E. | Deposit date: | 2014-10-30 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for RNA replication by the hepatitis C virus polymerase. Science, 347, 2015
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1ANE
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![BU of 1ane by Molmil](/molmil-images/mine/1ane) | ANIONIC TRYPSIN WILD TYPE | Descriptor: | ANIONIC TRYPSIN, BENZAMIDINE | Authors: | Fletterick, R.J, Mcgrath, M.E. | Deposit date: | 1994-12-21 | Release date: | 1997-04-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of an engineered, metal-actuated switch in trypsin. Biochemistry, 32, 1993
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1ANC
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1AND
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1ANB
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2ANY
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![BU of 2any by Molmil](/molmil-images/mine/2any) | Expression, Crystallization and the Three-dimensional Structure of the Catalytic Domain of Human Plasma Kallikrein: Implications for Structure-Based Design of Protease Inhibitors | Descriptor: | BENZAMIDINE, PHOSPHATE ION, plasma kallikrein, ... | Authors: | Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A. | Deposit date: | 2005-08-11 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein. J.Biol.Chem., 280, 2005
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2ANW
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![BU of 2anw by Molmil](/molmil-images/mine/2anw) | Expression, crystallization and three-dimensional structure of the catalytic domain of human plasma kallikrein: Implications for structure-based design of protease inhibitors | Descriptor: | BENZAMIDINE, plasma kallikrein, light chain | Authors: | Tang, J, Yu, C.L, Williams, S.R, Springman, E, Jeffery, D, Sprengeler, P.A, Estevez, A, Sampang, J, Shrader, W, Spencer, J.R, Young, W.B, McGrath, M.E, Katz, B.A. | Deposit date: | 2005-08-11 | Release date: | 2005-10-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Expression, crystallization, and three-dimensional structure of the catalytic domain of human plasma kallikrein. J.Biol.Chem., 280, 2005
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1O5E
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![BU of 1o5e by Molmil](/molmil-images/mine/1o5e) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, Serine protease hepsin | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
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1O5D
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![BU of 1o5d by Molmil](/molmil-images/mine/1o5d) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
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1O5A
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![BU of 1o5a by Molmil](/molmil-images/mine/1o5a) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1'-BIPHENYL-2-OLATE, CITRIC ACID, Urokinase-type plasminogen activator | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA) J.Mol.Biol., 344, 2004
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1O5G
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![BU of 1o5g by Molmil](/molmil-images/mine/1o5g) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, CALCIUM ION, Hirudin IIIB', ... | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
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1O5C
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![BU of 1o5c by Molmil](/molmil-images/mine/1o5c) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, CITRIC ACID, Urokinase-type plasminogen activator | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA) J.Mol.Biol., 344, 2004
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1O5B
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![BU of 1o5b by Molmil](/molmil-images/mine/1o5b) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRIC ACID, Urokinase-type plasminogen activator | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA) J.Mol.Biol., 344, 2004
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1P57
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![BU of 1p57 by Molmil](/molmil-images/mine/1p57) | Extracellular domain of human hepsin | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin | Authors: | Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A. | Deposit date: | 2003-04-25 | Release date: | 2004-01-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain Structure, 11, 2003
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1O5F
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![BU of 1o5f by Molmil](/molmil-images/mine/1o5f) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Serine protease hepsin | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
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1BRA
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5UJ2
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![BU of 5uj2 by Molmil](/molmil-images/mine/5uj2) | Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU | Descriptor: | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ... | Authors: | Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E. | Deposit date: | 2017-01-16 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties. Bioorg. Med. Chem. Lett., 27, 2017
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