Author results

2KW1
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SOLUTION STRUCTURE OF CTD
Descriptor:Fas apoptotic inhibitory molecule 1
Authors:Ma, S., Zheng, X., Jin, C.
Deposit date:2010-03-30
Release date:2011-04-13
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of CTD
To be Published
5A3J
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CRYSTAL STRUCTURE OF THE CHLOROPLASTIC GAMMA-KETOL REDUCTASE FROM ARABIDOPSIS THALIANA BOUND TO 13-OXO-9(Z),11(E),15(Z)- OCTADECATRIENOIC ACID.
Descriptor:PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC, (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid)
Authors:Mas-y-mas, S., Curien, G., Giustini, C., Rolland, N., Ferrer, J.L., Cobessi, D.
Deposit date:2015-06-01
Release date:2016-09-28
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.776 Å)
Cite:Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana.
Front Plant Sci, 8, 2017
5A3V
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CRYSTAL STRUCTURE OF THE CHLOROPLASTIC GAMMA-KETOL REDUCTASE FROM ARABIDOPSIS THALIANA
Descriptor:PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC
Authors:Mas-y-mas, S., Curien, G., Giustini, C., Rolland, N., Ferrer, J.L., Cobessi, D.
Deposit date:2015-06-03
Release date:2016-09-28
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana.
Front Plant Sci, 8, 2017
5A4D
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CRYSTAL STRUCTURE OF THE CHLOROPLASTIC GAMMA-KETOL REDUCTASE FROM ARABIDOPSIS THALIANA BOUND TO 13KOTE AND NADP
Descriptor:PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Mas-y-mas, S., Curien, G., Giustini, C., Rolland, N., Ferrer, J.L., Cobessi, D.
Deposit date:2015-06-08
Release date:2016-09-28
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana.
Front Plant Sci, 8, 2017
5EZ6
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CRYSTALLIZATION AND PRELIMINARY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF A SMALL GTPASE RHOA
Descriptor:Transforming protein RhoA, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Yan, Z., Ma, S., Zhang, Y., Ma, L., Wang, F., Li, J., Miao, L.
Deposit date:2015-11-26
Release date:2016-12-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA
To Be Published
5HT6
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CRYSTAL STRUCTURE OF THE SET DOMAIN OF THE HUMAN MLL5 METHYLTRANSFERASE
Descriptor:Histone-lysine N-methyltransferase 2E
Authors:le Maire, A., Mas-y-Mas, S., Dumas, C., Lebedev, A.
Deposit date:2016-01-26
Release date:2016-11-16
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:The Human Mixed Lineage Leukemia 5 (MLL5), a Sequentially and Structurally Divergent SET Domain-Containing Protein with No Intrinsic Catalytic Activity.
Plos One, 11, 2016
6NBF
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CRYO-EM STRUCTURE OF PARATHYROID HORMONE RECEPTOR TYPE 1 IN COMPLEX WITH A LONG-ACTING PARATHYROID HORMONE ANALOG AND G PROTEIN
Descriptor:Parathyroid hormone/parathyroid hormone-related peptide receptor, Long-acting parathyroid hormone analog, Gs protein alpha subunit, ...
Authors:Zhao, L.-H., Ma, S., Sutkeviciute, I., Shen, D.-D., Zhou, X.E., de Waal, P.P., Li, C.-Y., Kang, Y., Clark, L.J., Jean-Alphonse, F.G., White, A.D., Xiao, K., Yang, D., Jiang, Y., Watanabe, T., Gardella, T.J., Melcher, K., Wang, M.-W., Vilardaga, J.-P., Xu, H.E., Zhang, Y.
Deposit date:2018-12-07
Release date:2019-04-17
Last modified:2019-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
6NBH
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CRYO-EM STRUCTURE OF PARATHYROID HORMONE RECEPTOR TYPE 1 IN COMPLEX WITH A LONG-ACTING PARATHYROID HORMONE ANALOG AND G PROTEIN
Descriptor:Parathyroid hormone/parathyroid hormone-related peptide receptor, Long-acting parathyroid hormone analog, Gs protein alpha subunit, ...
Authors:Zhao, L.-H., Ma, S., Sutkeviciute, I., Shen, D.-D., Zhou, X.E., de Waal, P.P., Li, C.-Y., Kang, Y., Clark, L.J., Jean-Alphonse, F.G., White, A.D., Xiao, K., Yang, D., Jiang, Y., Watanabe, T., Gardella, T.J., Melcher, K., Wang, M.-W., Vilardaga, J.-P., Xu, H.E., Zhang, Y.
Deposit date:2018-12-07
Release date:2019-04-17
Last modified:2019-04-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
6NBI
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CRYO-EM STRUCTURE OF PARATHYROID HORMONE RECEPTOR TYPE 1 IN COMPLEX WITH A LONG-ACTING PARATHYROID HORMONE ANALOG AND G PROTEIN
Descriptor:Parathyroid hormone/parathyroid hormone-related peptide receptor, Long-acting parathyroid hormone analog, Gs protein alpha subunit, ...
Authors:Zhao, L.-H., Ma, S., Sutkeviciute, I., Shen, D.-D., Zhou, X.E., de Waal, P.P., Li, C.-Y., Kang, Y., Clark, L.J., Jean-Alphonse, F.G., White, A.D., Xiao, K., Yang, D., Jiang, Y., Watanabe, T., Gardella, T.J., Melcher, K., Wang, M.-W., Vilardaga, J.-P., Xu, H.E., Zhang, Y.
Deposit date:2018-12-07
Release date:2019-04-17
Last modified:2019-04-24
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
3B6Z
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LOVASTATIN POLYKETIDE ENOYL REDUCTASE (LOVC) COMPLEXED WITH 2'-PHOSPHOADENOSYL ISOMER OF CROTONOYL-COA
Descriptor:Enoyl reductase, S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate, GLYCEROL
Authors:Ames, B.D., Smith, P.T., Ma, S.M., Wong, E.W., Xie, X., Vederas, J.C., Tang, Y., Tsai, S.-C.
Deposit date:2007-10-29
Release date:2008-09-16
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
3B70
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CRYSTAL STRUCTURE OF ASPERGILLUS TERREUS TRANS-ACTING LOVASTATIN POLYKETIDE ENOYL REDUCTASE (LOVC) WITH BOUND NADP
Descriptor:Enoyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL
Authors:Ames, B.D., Smith, P.T., Ma, S.M., Wong, E.W., Xie, X., Vederas, J.C., Tang, Y., Tsai, S.-C.
Deposit date:2007-10-29
Release date:2008-09-16
Last modified:2013-01-09
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure and biochemical studies of the trans-acting polyketide enoyl reductase LovC from lovastatin biosynthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ZJI
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PAK1 IN COMPLEX WITH 2-CHLORO-5-ETHYL-8-FLUORO-11-(4-METHYLPIPERAZIN-1-YL)-DIBENZODIAZEPINE
Descriptor:Serine/threonine-protein kinase PAK 1, 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine, MAGNESIUM ION
Authors:Gutmann, S., Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2015-07-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
4ZJJ
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PAK1 IN COMPLEX WITH (S)-N-(TERT-BUTYL)-3-((2-CHLORO-5-ETHYL-8-FLUORO-DIBENZODIAZEPIN-11-YL)AMINO)PYRROLIDINE-1-CARBOXAMIDE
Descriptor:Serine/threonine-protein kinase PAK 1, (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION
Authors:Gutmann, S., Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2015-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
4ZVV
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LACTATE DEHYDROGENASE A IN COMPLEX WITH A TRISUBSTITUTED PIPERIDINE-2,4-DIONE INHIBITOR GNE-140
Descriptor:L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Li, Y., Chen, Z., Eigenbrot, C.
Deposit date:2015-05-18
Release date:2016-05-18
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
5VAL
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BRAF IN COMPLEX WITH N-(3-(TERT-BUTYL)PHENYL)-4-METHYL-3-(6-MORPHOLINOPYRIMIDIN-4-YL)BENZAMIDE
Descriptor:Serine/threonine-protein kinase B-raf, N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide
Authors:Mamo, M., Appleton, B.A.
Deposit date:2017-03-27
Release date:2017-06-28
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
5VAM
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BRAF IN COMPLEX WITH RAF709
Descriptor:Serine/threonine-protein kinase B-raf, N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide
Authors:Mamo, M., Appleton, B.A.
Deposit date:2017-03-27
Release date:2017-06-28
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
2GDO
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4-(AMINOALKYLAMINO)-3-BENZIMIDAZOLE-QUINOLINONES AS POTENT CHK1 INHIBITORS
Descriptor:Serine/threonine-protein kinase Chk1, SULFATE ION, 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE
Authors:Le, V., Dove, J., Fang, E., Bussiere, D.E.
Deposit date:2006-03-16
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
3SBD
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CRYSTAL STRUCTURE OF RAC1 P29S MUTANT
Descriptor:Ras-related C3 botulinum toxin substrate 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION
Authors:Ha, B.H., Boggon, T.J.
Deposit date:2011-06-03
Release date:2012-07-18
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
3SBE
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CRYSTAL STRUCTURE OF RAC1 P29S MUTANT
Descriptor:Ras-related C3 botulinum toxin substrate 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION
Authors:Ha, B.H., Boggon, T.J.
Deposit date:2011-06-03
Release date:2012-07-18
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
3TH5
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CRYSTAL STRUCTURE OF WILD-TYPE RAC1
Descriptor:Ras-related C3 botulinum toxin substrate 1, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION
Authors:Ha, B.H., Boggon, T.J.
Deposit date:2011-08-18
Release date:2012-07-18
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma.
Nat.Genet., 44, 2012
4AWO
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COMPLEX OF HSP90 ATPASE DOMAIN WITH TROPANE DERIVED INHIBITORS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
Authors:Lougheed, J.C., Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4AWP
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COMPLEX OF HSP90 ATPASE DOMAIN WITH TROPANE DERIVED INHIBITORS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide
Authors:Lougheed, J.C., Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4AWQ
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COMPLEX OF HSP90 ATPASE DOMAIN WITH TROPANE DERIVED INHIBITORS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide
Authors:Lougheed, J.C., Stout, T.J.
Deposit date:2012-06-05
Release date:2012-08-29
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
4QO7
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LACTATE DEHYDROGENASE A IN COMPLEX WITH SUBSTITUTED 3-HYDROXY-2-MERCAPTOCYCLOHEX-2-ENONE COMPOUND 7
Descriptor:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C., Ultsch, M.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4QO8
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LACTATE DEHYDROGENASE A IN COMPLEX WITH SUBSTITUTED 3-HYDROXY-2-MERCAPTOCYCLOHEX-2-ENONE COMPOUND 104
Descriptor:L-lactate dehydrogenase A chain, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eigenbrot, C., Ultsch, M.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
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