Author results

1F66
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2.6 A CRYSTAL STRUCTURE OF A NUCLEOSOME CORE PARTICLE CONTAINING THE VARIANT HISTONE H2A.Z
Descriptor:PALINDROMIC 146 BASE PAIR DNA FRAGMENT, HISTONE H3, HISTONE H4, ...
Authors:Suto, R.K., Clarkson, M.J., Tremethick, D.J., Luger, K.
Deposit date:2000-06-20
Release date:2000-11-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a nucleosome core particle containing the variant histone H2A.Z.
Nat.Struct.Biol., 7, 2000
1ID3
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CRYSTAL STRUCTURE OF THE YEAST NUCLEOSOME CORE PARTICLE REVEALS FUNDAMENTAL DIFFERENCES IN INTER-NUCLEOSOME INTERACTIONS
Descriptor:PALINDROMIC 146BP DNA FRAGMENT, HISTONE H3, HISTONE H4, ...
Authors:White, C.L., Suto, R.K., Luger, K.
Deposit date:2001-04-03
Release date:2001-09-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the yeast nucleosome core particle reveals fundamental changes in internucleosome interactions.
EMBO J., 20, 2001
1M18
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LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor:Palindromic 146 Base Pair DNA Fragment, Histone H3.2, Histone H4, ...
Authors:Suto, R.K., Edayathumangalam, R.S., White, C.L., Melander, C., Gottesfeld, J.M., Dervan, P.B., Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.Mol.Biol., 326, 2003
1M19
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LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor:Palindromic 146 Base Pair DNA Fragment, Histone H3.2, Histone H4, ...
Authors:Suto, R.K., Edayathumangalam, R.S., White, C.L., Melander, C., Gottesfeld, J.M., Dervan, P.B., Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.Mol.Biol., 326, 2003
1M1A
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LIGAND BINDING ALTERS THE STRUCTURE AND DYNAMICS OF NUCLEOSOMAL DNA
Descriptor:Palindromic 146 Base Pair DNA Fragment, Histone H3.2, Histone H4, ...
Authors:Suto, R.K., Edayathumangalam, R.S., White, C.L., Melander, C., Gottesfeld, J.M., Dervan, P.B., Luger, K.
Deposit date:2002-06-18
Release date:2003-02-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Nucleosome Core Particles in Complex with Minor Groove DNA-binding Ligands
J.MOL.BIOL., 326, 2003
3INM
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CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NADP(+)-DEPENDENT ISOCITRATE DEHYDROGENASE R132H MUTANT IN COMPLEX WITH NADPH, ALPHA-KETOGLUTARATE AND CALCIUM(2+)
Descriptor:Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-OXOGLUTARIC ACID, ...
Authors:Fontano, E., Brown, R.S., Suto, R.K., Bhyravbhatla, B.
Deposit date:2009-08-12
Release date:2009-11-24
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cancer-associated IDH1 mutations produce 2-hydroxyglutarate.
Nature, 462, 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
4MPU
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HUMAN BETA-TRYPTASE CO-CRYSTAL STRUCTURE WITH (6S,8R)-N,N'-BIS[3-({4-[3-(AMINOMETHYL)PHENYL]PIPERIDIN-1-YL}CARBONYL)PHENYL]-8-HYDROXY-6-(1-HYDROXYCYCLOBUTYL)-5,7-DIOXASPIRO[3.4]OCTANE-6,8-DICARBOXAMIDE
Descriptor:Tryptase alpha/beta-1, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ...
Authors:White, A., Stein, A.J., Suto, R.K.
Deposit date:2013-09-13
Release date:2015-03-18
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Target-directed self-assembly of homodimeric drugs
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
5HLN
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X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021
Descriptor:Glycogen synthase kinase-3 beta, CHIR99021, MAGNESIUM ION, ...
Authors:White, A., Lakshminarasimhan, D., Nadupalli, A., Suto, R.K.
Deposit date:2016-01-15
Release date:2016-05-25
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
5HLP
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X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937
Descriptor:Glycogen synthase kinase-3 beta, 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Authors:White, A., Lakshminarasimhan, D., Nadupalli, A., Suto, R.K.
Deposit date:2016-01-15
Release date:2016-05-25
Last modified:2016-07-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
5KPK
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GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH BRD0209
Descriptor:Glycogen synthase kinase-3 beta, (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Authors:Lakshminarasimhan, D., White, A., Nadupalli, A., Suto, R.K.
Deposit date:2016-07-04
Release date:2018-03-14
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
5KPL
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GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH BRD0705
Descriptor:Glycogen synthase kinase-3 beta, (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Authors:Lakshminarasimhan, D., White, A., Nadupalli, A., Suto, R.K.
Deposit date:2016-07-04
Release date:2018-03-14
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
5KPM
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GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH BRD3731
Descriptor:Glycogen synthase kinase-3 beta, (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Authors:Lakshminarasimhan, D., White, A., Nadupalli, A., Suto, R.K.
Deposit date:2016-07-04
Release date:2018-03-14
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
5V0U
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CRYSTAL STRUCTURE OF POLYMERASE ACID PROTEIN (PA) FROM INFLUENZA A VIRUS, WILSON-SMITH/1933 (H1N1) BOUND TO FOLLOW ON FRAGMENT EBSI-4723 4-(5-CHLOROTHIOPHEN-2-YL)-1H-PYRAZOLE
Descriptor:Polymerase acidic protein, 4-(5-chlorothiophen-2-yl)-1H-pyrazole
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-02-28
Release date:2017-03-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment screening by STD NMR identifies novel site binders against influenza A virus polymerase
To Be Published
5VZ3
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GROWTH FACTOR CRYSTAL STRUCTURE AT 1.97 ANGSTROM RESOLUTION
Descriptor:Growth/differentiation factor 15
Authors:Lakshminarasimhan, D., White, A., Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
5VZ4
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RECEPTOR-GROWTH FACTOR CRYSTAL STRUCTURE AT 2.20 ANGSTROM RESOLUTION
Descriptor:Growth/differentiation factor 15, GDNF family receptor alpha-like, BROMIDE ION, ...
Authors:Lakshminarasimhan, D., White, A., Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
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
6DN1
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CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1151 SPLIT RNA
Descriptor:RNA RIBOSWITCH, RNA (57-MER), MAGNESIUM ION, ...
Authors:Vicens, Q., Mondragon, E., Reyes, F.E., Berman, J., Kaur, H., Kells, K., Wickens, P., Wilson, J., Gadwood, R., Schostarez, H., Suto, R.K., Coish, P., Blount, K.F., Batey, R.T.
Deposit date:2018-06-05
Release date:2018-09-05
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
6DN2
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CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1354 SPLIT RNA
Descriptor:RNA RIBOSWITCH, RNA (56-MER), MAGNESIUM ION, ...
Authors:Vicens, Q., Mondragon, E., Reyes, F.E., Berman, J., Kaur, H., Kells, K., Wickens, P., Wilson, J., Gadwood, R., Schostarez, H., Suto, R.K., Coish, P., Blount, K.F., Batey, R.T.
Deposit date:2018-06-05
Release date:2018-09-05
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
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