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1B11
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STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093
Descriptor:PROTEIN (Feline Immunodeficiency Virus PROTEASE), SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Gustchina, A., Li, M., Wlodawer, A.
Deposit date:1998-11-25
Release date:1998-12-02
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
3TLH
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STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITHAN EFFICIENT INHIBITOR OF FIV PR
Descriptor:PROTEIN (PROTEASE), benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M., Lee, T., Morris, G., Laco, G., Wong, C., Olson, A., Elder, J., Wlodawer, A., Gustchina, A.
Deposit date:1998-12-03
Release date:1998-12-09
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
5FIV
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STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor:RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M., Lee, T., Morris, G., Laco, G., Wong, C., Olson, A., Elder, J., Wlodawer, A., Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
6FIV
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STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor:RETROPEPSIN, SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M., Lee, T., Morris, G., Laco, G., Wong, C., Olson, A., Elder, J., Wlodawer, A., Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
2JPN
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SOLUTION STRUCTURE OF T4 BACTERIOPHAGE HELICASE UVSW.1
Descriptor:ATP-dependent DNA helicase uvsW
Authors:Sivakolundu, S.G., Lee, T., White, S.W., Kriwacki, R.W.
Deposit date:2007-05-17
Release date:2007-07-10
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Crystallographic and NMR Analyses of UvsW and UvsW.1 from Bacteriophage T4
J.Biol.Chem., 282, 2007
4EPR
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION.
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPT
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPV
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPW
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPX
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4EPY
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION
Descriptor:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
Deposit date:2012-04-17
Release date:2012-05-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
4HW2
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DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1H-indole-2-carboxylic acid, TRIETHYLENE GLYCOL, ...
Authors:Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4HW3
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DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid
Authors:Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4HW4
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DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
Authors:Friberg, A., Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
4JDT
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CRYSTAL STRUCTURE OF CHIMERIC GERM-LINE PRECURSOR OF NIH45-46 FAB IN COMPLEX WITH GP120 OF 93TH057 HIV-1
Descriptor:gp120, Fab heavy chain, Fab light chain, ...
Authors:Scharf, L., Diskin, R., Bjorkman, P.J.
Deposit date:2013-02-25
Release date:2013-03-20
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (3.26 Å)
Cite:Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JDV
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CRYSTAL STRUCTURE OF GERM-LINE PRECURSOR OF NIH45-46 FAB
Descriptor:Fab heavy chain, Fab light chain, SULFATE ION, ...
Authors:Diskin, R., Scharf, L., Bjorkman, P.J.
Deposit date:2013-02-25
Release date:2013-03-20
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for HIV-1 gp120 recognition by a germ-line version of a broadly neutralizing antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JKP
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RESTRICTING HIV-1 PATHWAYS FOR ESCAPE USING RATIONALLY-DESIGNED ANTI-HIV-1 ANTIBODIES
Descriptor:gp120, Heavy chain of antibody 45-46M2, Light chain of antibody 45-46M2, ...
Authors:Diskin, R., Bjorkman, P.J.
Deposit date:2013-03-11
Release date:2013-05-15
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Restricting HIV-1 pathways for escape using rationally designed anti-HIV-1 antibodies.
J.Exp.Med., 210, 2013
4NYI
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APPROACH FOR TARGETING RAS WITH SMALL MOLECULES THAT ACTIVATE SOS-MEDIATED NUCLEOTIDE EXCHANGE
Descriptor:GTPase HRas, Son of sevenless homolog 1, MAGNESIUM ION, ...
Authors:Burns, M.C., Sun, Q., Phan, J., Fesik, S.W.
Deposit date:2013-12-10
Release date:2014-03-12
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.9612 Å)
Cite:Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NYJ
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APPROACH FOR TARGETING RAS WITH SMALL MOLECULES THAT ACTIVATE SOS-MEDIATED NUCLEOTIDE EXCHANGE
Descriptor:GTPase HRas, Son of sevenless homolog 1, MAGNESIUM ION, ...
Authors:Burns, M.C., Sun, Q., Phan, J., Fesik, S.W.
Deposit date:2013-12-10
Release date:2014-03-12
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.8522 Å)
Cite:Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NYM
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APPROACH FOR TARGETING RAS WITH SMALL MOLECULES THAT ACTIVATE SOS-MEDIATED NUCLEOTIDE EXCHANGE
Descriptor:GTPase HRas, Son of sevenless homolog 1, MAGNESIUM ION, ...
Authors:Burns, M.C., Sun, Q., Phan, J., Fesik, S.W.
Deposit date:2013-12-10
Release date:2014-03-12
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (3.5529 Å)
Cite:Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PUZ
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CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE (SYK) IN COMPLEX WITH GS-9973
Descriptor:Tyrosine-protein kinase SYK, 6-(1H-indazol-6-yl)-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
Authors:Lansdon, E.B., Mitchell, S.A.
Deposit date:2014-03-14
Release date:2014-04-23
Last modified:2014-06-11
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
4PV0
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CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE (SYK) IN COMPLEX WITH AN IMIDAZOPYRAZINE INHIBITOR
Descriptor:Tyrosine-protein kinase SYK, 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION
Authors:Lansdon, E.B., Mitchell, S.A.
Deposit date:2014-03-14
Release date:2014-05-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
4ZBF
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MCL-1 COMPLEXED WITH SMALL MOLECULES
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide
Authors:Zhao, B.
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
4ZBI
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MCL-1 COMPLEXED WITH SMALL MOLECULES
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 1-[3-(naphthalen-1-yloxy)propyl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-2-carboxylic acid
Authors:Zhao, B.
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
5FC4
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MCL-1 COMPLEXED WITH SMALL MOLECULE INHIBITOR
Descriptor:Induced myeloid leukemia cell differentiation protein Mcl-1, 6-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide, 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol
Authors:Zhao, B.
Deposit date:2015-12-14
Release date:2016-03-02
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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