Author results

3TLH
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STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITHAN EFFICIENT INHIBITOR OF FIV PR
分子名称: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
著者Li, M., Lee, T., Morris, G., Laco, G., Wong, C., Olson, A., Elder, J., Wlodawer, A., Gustchina, A.
登録日1998-12-03
公開日1998-12-09
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
4EPR
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DISCOVERY OF SMALL MOLECULES THAT BIND TO K-RAS AND INHIBIT SOS-MEDIATED ACTIVATION.
分子名称:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献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
分子名称:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献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
分子名称:GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Sun, Q., Burke, J.P., Phan, J., Burns, M.C., Olejniczak, E.T., Waterson, A.G., Lee, T., Rossanese, O.W., Fesik, S.W.
登録日2012-04-17
公開日2012-05-23
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation.
Angew.Chem.Int.Ed.Engl., 51, 2012
5FIV
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STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
分子名称: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
著者Li, M., Lee, T., Morris, G., Laco, G., Wong, C., Olson, A., Elder, J., Wlodawer, A., Gustchina, A.
登録日1998-12-02
公開日1998-12-09
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: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
著者Li, M., Lee, T., Morris, G., Laco, G., Wong, C., Olson, A., Elder, J., Wlodawer, A., Gustchina, A.
登録日1998-12-02
公開日1998-12-09
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
6NE5
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DISCOVERY OF POTENT MYELOID CELL LEUKEMIA-1 (MCL-1) INHIBITORS THAT DEMONSTRATE IN VIVO ACTIVITY IN MOUSE XENOGRAFT MODELS OF HUMAN CANCER
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid
著者Zhao, B.
登録日2018-12-17
公開日2019-04-17
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.
J.Med.Chem., 62, 2019
5IEZ
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DISCOVERY OF POTENT MYELOID CELL LEUKEMIA-1 (MCL-1) INHIBITORS USING STRUCTURE-BASED DESIGN
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-({6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indole-2-carbonyl}amino)benzoic acid
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5IF4
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DISCOVERY OF POTENT MYELOID CELL LEUKEMIA-1 (MCL-1) INHIBITORS USING STRUCTURE-BASED DESIGN
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid
著者Zhao, B.
登録日2016-02-25
公開日2017-01-18
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Discovery and biological characterization of potent myeloid cell leukemia-1 inhibitors.
FEBS Lett., 591, 2017
5WLY
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E. COLI LPXH- 8 MUTATIONS
分子名称:UDP-2,3-diacylglucosamine hydrolase, MANGANESE (II) ION, CHLORIDE ION, ...
著者Bohl, T.E., Aihara, H., Shi, K., Lee, J.K.
登録日2017-07-28
公開日2018-04-11
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The substrate-binding cap of the UDP-diacylglucosamine pyrophosphatase LpxH is highly flexible, enabling facile substrate binding and product release.
J. Biol. Chem., 293, 2018
6BVI
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
分子名称:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Phan, J., Abbott, J., Fesik, S.W.
登録日2017-12-13
公開日2018-10-24
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVK
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
分子名称:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Phan, J., Abbott, J., Fesik, S.W.
登録日2017-12-13
公開日2018-10-24
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVL
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
分子名称:GTPase HRAS, Son of sevenless homolog 1, GTPase HRas, ...
著者Phan, J., Abbott, J., Fesik, S.W.
登録日2017-12-13
公開日2018-10-24
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6BVM
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
分子名称:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Phan, J., Abbott, J., Fesik, S.W.
登録日2017-12-13
公開日2018-10-24
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
6DM8
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UNDERSTANDING THE SPECIES SELECTIVITY OF MYELOID CELL LEUKEMIA-1 (MCL-1) INHIBITORS
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, MALTOSE
著者Zhao, B.
登録日2018-06-04
公開日2018-08-01
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors.
Biochemistry, 57, 2018
5UJB
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STRUCTURE OF A MCL-1 INHIBITOR BINDING TO SITE 3 OF HUMAN SERUM ALBUMIN
分子名称:Serum albumin, 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, PHOSPHATE ION
著者Zhao, B.
登録日2017-01-17
公開日2017-05-03
最終更新日2017-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin.
Bioorg. Med. Chem., 25, 2017
6BVJ
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RAS:SOS:RAS IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR
分子名称:GTPase HRas, Son of sevenless homolog 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Phan, J., Abbott, J., Fesik, S.W.
登録日2017-12-13
公開日2018-10-24
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling.
J. Med. Chem., 61, 2018
1B11
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STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093
分子名称: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
著者Gustchina, A., Li, M., Wlodawer, A.
登録日1998-11-25
公開日1998-12-02
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称:ATP-dependent DNA helicase uvsW
著者Sivakolundu, S.G., Lee, T., White, S.W., Kriwacki, R.W.
登録日2007-05-17
公開日2007-07-10
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Crystallographic and NMR Analyses of UvsW and UvsW.1 from Bacteriophage T4
J.Biol.Chem., 282, 2007
4HW2
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DISCOVERY OF POTENT MCL-1 INHIBITORS USING FRAGMENT-BASED METHODS AND STRUCTURE-BASED DESIGN
分子名称: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, ...
著者Zhao, B.
登録日2012-11-07
公開日2013-01-09
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid
著者Zhao, B.
登録日2012-11-07
公開日2013-01-09
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称:Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
著者Friberg, A., Zhao, B.
登録日2012-11-07
公開日2013-01-09
最終更新日2013-03-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
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