Author results

2F9B
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DISCOVERY OF NOVEL HETEROCYCLIC FACTOR VIIA INHIBITORS
Descriptor:Coagulation factor VII, Tissue factor, {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID
Authors:Rai, R., Kolesnikov, A., Sprengeler, P.A., Torkelson, S., Ton, T., Katz, B.A., Yu, C., Hendrix, J., Shrader, W.D., Stephens, R., Cabuslay, R., Sanford, E., Young, W.B.
Deposit date:2005-12-05
Release date:2006-02-28
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Discovery of novel heterocyclic factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
1GHV
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:THROMBIN, ACETYL HIRUDIN, SODIUM ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GHW
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:THROMBIN, ACETYL HIRUDIN, SODIUM ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site
J.Mol.Biol., 307, 2001
1GHX
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:THROMBIN, ACETYL HIRUDIN, ZINC ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GHY
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:THROMBIN, ACETYL HIRUDIN, ZINC ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GHZ
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:BETA-TRYPSIN, CALCIUM ION, MAGNESIUM ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI0
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:BETA-TRYPSIN, CALCIUM ION, MAGNESIUM ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI1
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:BETA-TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI2
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:BETA-TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI3
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:BETA-TRYPSIN, CALCIUM ION, 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI4
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:BETA-TRYPSIN, CALCIUM ION, ZINC ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI5
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:BETA-TRYPSIN, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI6
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:BETA-TRYPSIN, CALCIUM ION, CHLORIDE ION, ...
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI7
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR, 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI8
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR, CITRIC ACID, 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GI9
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor:UROKINASE-TYPE PLASMINOGEN ACTIVATOR, 2-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID
Authors:Katz, B.A., Elrod, K., Luong, C., Rice, M., Mackman, R.L., Sprengeler, P.A., Spencer, J., Hatayte, J., Janc, J., Link, J., Litvak, J., Rai, R., Rice, K., Sideris, S., Verner, E., Young, W.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
2B7D
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FACTOR VIIA INHIBITORS: CHEMICAL OPTIMIZATION, PRECLINICAL PHARMACOKINETICS, PHARMACODYNAMICS, AND EFFICACY IN A BABOON THROMBOSIS MODEL
Descriptor:Coagulation factor VII, Tissue factor, (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID
Authors:Young, W.B., Mordenti, J., Torkelson, S., Shrader, W.D., Kolesnikov, A., Rai, R., Liu, L., Hu, H., Leahy, E.M., Green, M.J., Sprengeler, P.A., Katz, B.A., Yu, C., Janc, J.W., Elrod, K.C., Marzec, U.M., Hanson, S.R.
Deposit date:2005-10-04
Release date:2006-02-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.
Bioorg.Med.Chem.Lett., 16, 2006
3K6G
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CRYSTAL STRUCTURE OF RAP1 AND TRF2 COMPLEX
Descriptor:Telomeric repeat-binding factor 2-interacting protein 1, Telomeric repeat-binding factor 2
Authors:Chen, Y., Rai, R., Yang, Y.T., Zheng, H., Chang, S., Lei, M.
Deposit date:2009-10-08
Release date:2010-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
5WQD
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CRYSTAL STRUCTURE OF TRF2 TRFH IN COMPLEX WITH AN NBS1 PEPTIDE
Descriptor:Telomeric repeat-binding factor 2, Nibrin
Authors:Hu, C., Chen, Y., Lei, M.
Deposit date:2016-11-26
Release date:2017-03-08
Last modified:2017-03-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:NBS1 Phosphorylation Status Dictates Repair Choice of Dysfunctional Telomeres
Mol. Cell, 65, 2017
4DQV
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CRYSTAL STRUCTURE OF REDUCTASE (R) DOMAIN OF NON-RIBOSOMAL PEPTIDE SYNTHETASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:PROBABLE PEPTIDE SYNTHETASE NRP (PEPTIDE SYNTHASE)
Authors:Haque, A.S., Panjikar, S., Sankaranarayanan, R.
Deposit date:2012-02-16
Release date:2012-06-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Nonprocessive [2 + 2]e- off-loading reductase domains from mycobacterial nonribosomal peptide synthetases.
Proc.Natl.Acad.Sci.USA, 109, 2012
3PHE
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HCV NS5B WITH A BOUND QUINOLONE INHIBITOR
Descriptor:HCV encoded nonstructural 5B protein, 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate
Authors:Somoza, J.R., To, N., Lehoux, I.
Deposit date:2010-11-03
Release date:2010-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3UDL
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3-HETEROCYCLYL QUINOLONE BOUND TO HCV NS5B
Descriptor:HCV NS5B polymerase, 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one
Authors:Somoza, J.R.
Deposit date:2011-10-28
Release date:2011-12-21
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
5H65
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CRYSTAL STRUCTURE OF HUMAN POT1 AND TPP1
Descriptor:Protection of telomeres protein 1, Adrenocortical dysplasia protein homolog, ZINC ION
Authors:Chen, C., Wu, J., Lei, M.
Deposit date:2016-11-10
Release date:2017-05-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into POT1-TPP1 interaction and POT1 C-terminal mutations in human cancer.
Nat Commun, 8, 2017
2FLB
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DISCOVERY OF A NOVEL HYDROXY PYRAZOLE BASED FACTOR IXA INHIBITOR
Descriptor:Coagulation factor VII, Tissue factor, 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Authors:Katz, B.A.
Deposit date:2006-01-05
Release date:2006-04-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of novel hydroxy pyrazole based factor IXa inhibitor.
Bioorg.Med.Chem.Lett., 16, 2006
2L3N
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SOLUTION STRUCTURE OF RAP1-TAZ1 FUSION PROTEIN
Descriptor:DNA-binding protein rap1, Telomere length regulator taz1
Authors:Zhou, Z.R., Wang, F., Chen, Y., Lei, M., Hu, H.
Deposit date:2010-09-19
Release date:2011-01-12
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms
Nat.Struct.Mol.Biol., 2011
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