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1HIB
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THE STRUCTURE OF AN INTERLEUKIN-1 BETA MUTANT WITH REDUCED BIOACTIVITY SHOWS MULTIPLE SUBTLE CHANGES IN CONFORMATION THAT AFFECT PROTEIN-PROTEIN RECOGNITION
Descriptor:INTERLEUKIN-1 BETA
Authors:Camacho, N.P., Smith, D.R., Goldman, A., Schneider, B., Green, D., Young, P.R., Berman, H.M.
Deposit date:1993-03-29
Release date:1994-01-31
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of an interleukin-1 beta mutant with reduced bioactivity shows multiple subtle changes in conformation that affect protein-protein recognition.
Biochemistry, 32, 1993
1IAN
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HUMAN P38 MAP KINASE INHIBITOR COMPLEX
Descriptor:P38 MAP KINASE, 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE
Authors:Tong, L.
Deposit date:1997-03-07
Release date:1998-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A highly specific inhibitor of human p38 MAP kinase binds in the ATP pocket.
Nat.Struct.Biol., 4, 1997
1A9U
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THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580
Descriptor:MAP KINASE P38, 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
Authors:Wang, Z., Canagarajah, B., Boehm, J.C., Kassis, S., Cobb, M.H., Young, P.R., Abdel-Meguid, S., Adams, J.L., Goldsmith, E.J.
Deposit date:1998-04-10
Release date:1999-04-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
3ERK
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THE COMPLEX STRUCTURE OF THE MAP KINASE ERK2/SB220025
Descriptor:EXTRACELLULAR REGULATED KINASE 2, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
Authors:Wang, Z., Canagarajah, B., Boehm, J.C., Cobb, M.H., Young, P.R., Abdel-Meguid, S., Adams, J.L., Goldsmith, E.J.
Deposit date:1998-07-09
Release date:1999-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
4ERK
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THE COMPLEX STRUCTURE OF THE MAP KINASE ERK2/OLOMOUCINE
Descriptor:EXTRACELLULAR REGULATED KINASE 2, SULFATE ION, OLOMOUCINE
Authors:Wang, Z., Canagarajah, B., Boehm, J.C., Cobb, M.H., Young, P.R., Abdel-Meguid, S., Adams, J.L., Goldsmith, E.J.
Deposit date:1998-07-09
Release date:1999-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
1BL6
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THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB216995
Descriptor:PROTEIN (MAP KINASE P38), 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE
Authors:Wang, Z., Canagarajah, B.J., Boehm, J.C., Kassis, S., Cobb, M.H., Young, P.R., Abdel-Meguid, S., Adams, J.L., Goldsmith, E.J.
Deposit date:1998-07-11
Release date:1999-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
1BL7
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THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB220025
Descriptor:PROTEIN (MAP KINASE P38), 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
Authors:Wang, Z., Canagarajah, B.J., Boehm, J.C., Kassis, S., Cobb, M.H., Young, P.R., Abdel-Meguid, S., Adams, J.L., Goldsmith, E.J.
Deposit date:1998-07-23
Release date:1999-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
1BMK
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THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655
Descriptor:PROTEIN (MAP KINASE P38), 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
Authors:Wang, Z., Canagarajah, B., Boehm, J.C., Kassis, S., Cobb, M.H., Young, P.R., Abdel-Meguid, S., Adams, J.L., Goldsmith, E.J.
Deposit date:1998-07-23
Release date:1999-07-23
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
3E90
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WEST NILE VI RUS NS2B-NS3PROTEASE IN COMPLEXED WITH INHIBITOR NAPH-KKR-H
Descriptor:NS2B cofactor, NS3 protease, N~2~-(naphthalen-2-ylcarbonyl)-L-lysyl-N-[(1S)-4-carbamimidamido-1-formylbutyl]-L-lysinamide
Authors:Martin, J.L., Robin, G.
Deposit date:2008-08-21
Release date:2009-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of West Nile virus NS3 protease: ligand stabilization of the catalytic conformation
J.Mol.Biol., 385, 2009
4J1P
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X-RAY CRYSTAL STRUCTURE OF BROMODOMAIN 2 OF HUMAN BRD2 IN COMPLEX WITH RVX208 TO 1.08 A RESOLUTION
Descriptor:Bromodomain containing 2, isoform CRA_a, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, ...
Authors:Stein, A.J., White, A., Suto, R.K.
Deposit date:2013-02-01
Release date:2014-01-15
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
4J3I
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X-RAY CRYSTAL STRUCTURE OF BROMODOMAIN COMPLEX TO 1.24 A RESOLUTION
Descriptor:Bromodomain-containing protein 4, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, 1,2-ETHANEDIOL, ...
Authors:Stein, A.J., White, A., Suto, R.K.
Deposit date:2013-02-05
Release date:2014-01-15
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist.
Plos One, 8, 2013
4BZ1
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STRUCTURE OF DENGUE VIRUS EDIII IN COMPLEX WITH FAB 3E31
Descriptor:ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, FAB 3E31 LIGHT CHAIN, ...
Authors:Li, J., Watterson, D., Chang, C.W., Li, X.Q., Ericsson, D.J., Qiu, L.W., Cai, J.P., Chen, J., Fry, S.R., Cooper, M.A., Che, X.Y., Young, P.R., Kobe, B.
Deposit date:2013-07-23
Release date:2014-08-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Dengue Virus Ediii in Complex with Fab 3E31
To be Published
4BZ2
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STRUCTURE OF DENGUE VIRUS EDIII IN COMPLEX WITH FAB 2D73
Descriptor:ENVELOPE PROTEIN, FAB 2D73 HEAVY CHAIN, FAB 2D73 LIGHT CHAIN, ...
Authors:Li, J., Watterson, D., Chang, C.W., Li, X.Q., Ericsson, D.J., Qiu, L.W., Cai, J.P., Chen, J., Fry, S.R., Cooper, M.A., Che, X.Y., Young, P.R., Kobe, B.
Deposit date:2013-07-23
Release date:2014-08-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure of Dengue Virus Ediii in Complex with Fab 2D73
To be Published
4YH3
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CRYSTAL STRUCTURE OF HUMAN BRD4(1) IN COMPLEX WITH 4-[(2E)-3-(4-METHOXYPHENYL)-2-PHENYLPROP-2-ENOYL]-3,4-DIHYDROQUINOXALIN-2(1H)-ONE (COMPOUND 19A)
Descriptor:Bromodomain-containing protein 4, 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one
Authors:White, A., Lakshminarasimhan, D., Suto, R.K.
Deposit date:2015-02-26
Release date:2016-01-13
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
4YH4
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CRYSTAL STRUCTURE OF HUMAN BRD4(1) IN COMPLEX WITH 4-[(5-PHENYLPYRIDIN-3-YL)CARBONYL]-3,4-DIHYDROQUINOXALIN-2(1H)-ONE (COMPOUND 19D)
Descriptor:Bromodomain-containing protein 4, 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, ...
Authors:Lakshminarasimhan, D., White, A., Suto, R.K.
Deposit date:2015-02-26
Release date:2016-01-13
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
5DW1
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X-RAY CRYSTAL STRUCTURE OF HUMAN BRD2(BD2) IN COMPLEX WITH RVX297 TO 1.55 A RESOLUTION
Descriptor:Bromodomain-containing protein 2, 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, SODIUM ION
Authors:White, A., Fontano, E., Suto, R.K.
Deposit date:2015-09-22
Release date:2016-06-22
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:RVX-297- a novel BD2 selective inhibitor of BET bromodomains.
Biochem.Biophys.Res.Commun., 477, 2016
5DW2
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X-RAY CRYSTAL STRUCTURE OF HUMAN BRD4(BD1) IN COMPLEX WITH RVX297 TO 1.12 A RESOLUTION
Descriptor:Bromodomain-containing protein 4, 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, 1,2-ETHANEDIOL
Authors:White, A., Fontano, E., Suto, R.K.
Deposit date:2015-09-22
Release date:2016-06-22
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:RVX-297- a novel BD2 selective inhibitor of BET bromodomains.
Biochem.Biophys.Res.Commun., 477, 2016
6CZU
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BRD4(BD1) COMPLEXED WITH 3219
Descriptor:Bromodomain-containing protein 4, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one, 1,2-ETHANEDIOL, ...
Authors:Lakshminarasimhan, D., White, A., Suto, R.K.
Deposit date:2018-04-09
Release date:2018-09-26
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018
6CZV
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BRD4(BD1) COMPLEXED WITH 2759
Descriptor:Bromodomain-containing protein 4, 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one, 1,2-ETHANEDIOL
Authors:Lakshminarasimhan, D., White, A., Suto, R.K.
Deposit date:2018-04-09
Release date:2018-09-26
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Design and Characterization of Novel Covalent Bromodomain and Extra-Terminal Domain (BET) Inhibitors Targeting a Methionine.
J. Med. Chem., 61, 2018