Author results

1PTS
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CRYSTAL STRUCTURE AND LIGAND BINDING STUDIES OF A SCREENED PEPTIDE COMPLEXED WITH STREPTAVIDIN
Descriptor:STREPTAVIDIN, PEPTIDE (FSHPQNT)
Authors:Weber, P.C., Pantoliano, M.W., Thompson, L.D.
Deposit date:1992-07-23
Release date:1994-01-31
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and ligand-binding studies of a screened peptide complexed with streptavidin.
Biochemistry, 31, 1992
1SRF
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STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor:STREPTAVIDIN, 2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Authors:Weber, P.C., Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1SRG
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STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor:STREPTAVIDIN, 2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Authors:Weber, P.C., Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-12-20
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1SRH
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STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor:STREPTAVIDIN, 2-((3',5'-DIMETHOXY-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Authors:Weber, P.C., Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1SRI
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STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor:STREPTAVIDIN, 2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
Authors:Weber, P.C., Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1SRJ
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STRUCTURE-BASED DESIGN OF SYNTHETIC AZOBENZENE LIGANDS FOR STREPTAVIDIN
Descriptor:STREPTAVIDIN, 2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID
Authors:Weber, P.C., Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1RSM
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THE 2-ANGSTROMS RESOLUTION STRUCTURE OF A THERMOSTABLE RIBONUCLEASE A CHEMICALLY CROSS-LINKED BETWEEN LYSINE RESIDUES 7 AND 41
Descriptor:RIBONUCLEASE A, DINITROPHENYLENE
Authors:Weber, P.C., Sheriff, S., Ohlendorf, D.H., Finzel, B.C., Salemme, F.R.
Deposit date:1985-08-27
Release date:1986-01-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2-A resolution structure of a thermostable ribonuclease A chemically cross-linked between lysine residues 7 and 41.
Proc.Natl.Acad.Sci.USA, 82, 1985
1SRE
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CRYSTALLOGRAPHIC AND THERMODYNAMIC COMPARISON OF NATURAL AND SYNTHETIC LIGANDS BOUND TO STREPTAVIDIN
Descriptor:STREPTAVIDIN, 2-((4'-HYDROXYPHENYL)-AZO)BENZOIC ACID
Authors:Weber, P.C., Salemme, F.R.
Deposit date:1994-02-17
Release date:1994-11-01
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Design of Synthetic Azobenzene Ligands for Streptavidin
J.Am.Chem.Soc., 116, 1994
1STP
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STRUCTURAL ORIGINS OF HIGH-AFFINITY BIOTIN BINDING TO STREPTAVIDIN
Descriptor:STREPTAVIDIN COMPLEX WITH BIOTIN, BIOTIN
Authors:Weber, P.C., Salemme, F.R.
Deposit date:1992-03-12
Release date:1992-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural origins of high-affinity biotin binding to streptavidin.
Science, 243, 1989
1LHC
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROARG-OH
Descriptor:ALPHA-THROMBIN, HIRUDIN, AC-(D)PHE-PRO-BOROARG-OH
Authors:Weber, P.C., Lee, S.L., Lewandowski, F.A., Schadt, M.C., Chang, C.H., Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHD
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROLYS-OH
Descriptor:ALPHA-THROMBIN, HIRUDIN, AC-(D)PHE-PRO-BOROLYS-OH
Authors:Weber, P.C., Lee, S.L., Lewandowski, F.A., Schadt, M.C., Chang, C.H., Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHE
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
Descriptor:ALPHA-THROMBIN, HIRUDIN, AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
Authors:Weber, P.C., Lee, S.L., Lewandowski, F.A., Schadt, M.C., Chang, C.H., Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHF
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-HOMOLYS-OH
Descriptor:ALPHA-THROMBIN, HIRUDIN, AC-(D)PHE-PRO-BOROHOMOLYS-OH
Authors:Weber, P.C., Lee, S.L., Lewandowski, F.A., Schadt, M.C., Chang, C.H., Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHG
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROORNITHINE-OH
Descriptor:ALPHA-THROMBIN, HIRUDIN, AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH
Authors:Weber, P.C., Lee, S.L., Lewandowski, F.A., Schadt, M.C., Chang, C.H., Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
2CCY
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STRUCTURE OF FERRICYTOCHROME C(PRIME) FROM RHODOSPIRILLUM MOLISCHIANUM AT 1.67 ANGSTROMS RESOLUTION
Descriptor:CYTOCHROME C, PROTOPORPHYRIN IX CONTAINING FE
Authors:Finzel, B.C., Weber, P.C., Hardman, K.D., Salemme, F.R.
Deposit date:1985-08-27
Release date:1986-01-21
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure of ferricytochrome c' from Rhodospirillum molischianum at 1.67 A resolution.
J.Mol.Biol., 186, 1985
1QBQ
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STRUCTURE OF RAT FARNESYL PROTEIN TRANSFERASE COMPLEXED WITH A CVIM PEPTIDE AND ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID.
Descriptor:FPT ALPHA-SUBUNIT, FPT BETA-SUBUNIT, ACETYL-CYS-VAL-ILE-SELENOMET-COOH PEPTIDE, ...
Authors:Strickland, C.L., Windsor, W.T., Syto, R., Wang, L., Bond, R., Wu, Z., Schwartz, J., Le, H.V., Beese, L.S., Weber, P.C.
Deposit date:1999-04-27
Release date:1999-06-18
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of farnesyl protein transferase complexed with a CaaX peptide and farnesyl diphosphate analogue
Biochemistry, 37, 1998
1C2P
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HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE
Descriptor:RNA-DEPENDENT RNA POLYMERASE
Authors:Lesburg, C.A., Cable, M.B., Ferrari, E., Hong, Z., Mannarino, A.F., Weber, P.C.
Deposit date:1999-07-26
Release date:2000-04-05
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the RNA-dependent RNA polymerase from hepatitis C virus reveals a fully encircled active site.
Nat.Struct.Biol., 6, 1999
1CU1
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CRYSTAL STRUCTURE OF AN ENZYME COMPLEX FROM HEPATITIS C VIRUS
Descriptor:PROTEIN (PROTEASE/HELICASE NS3), ZINC ION, PHOSPHATE ION
Authors:Yao, N., Weber, P.C.
Deposit date:1999-08-20
Release date:2000-08-23
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular views of viral polyprotein processing revealed by the crystal structure of the hepatitis C virus bifunctional protease-helicase.
Structure Fold.Des., 7, 1999
1O5M
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STRUCTURE OF FPT BOUND TO THE INHIBITOR SCH66336
Descriptor:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
Authors:Strickland, C.L., Weber, P.C., Ganguly, A.K.
Deposit date:2003-09-26
Release date:2003-10-21
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tricyclic Farnesyl Protein Transferase Inhibitors: Crystallographic and Calorimetric Studies of Structure-Activity Relationships
J.Med.Chem., 42, 1999
2OBO
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH476776
Descriptor:HCV NS3 protease, HCV NS4A peptide, 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:2012-12-26
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
2OBQ
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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:2017-10-18
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
2OC0
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STRUCTURE OF NS3 COMPLEXED WITH A KETOAMIDE INHIBITOR SCH491762
Descriptor:Hepatitis C Virus, 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:2012-02-22
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
2OC1
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STRUCTURE OF THE HCV NS3/4A PROTEASE INHIBITOR CVS4819
Descriptor:Hepatitis C virus, ZINC ION, (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
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:2018-04-04
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
2OC7
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH571696
Descriptor:Hepatitis C Virus, ZINC ION, BETA-MERCAPTOETHANOL, ...
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:2012-02-22
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
2OC8
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH503034
Descriptor:Hepatitis C virus, ZINC ION, BETA-MERCAPTOETHANOL, ...
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:2011-07-13
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