Author results

5F2E
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CRYSTAL STRUCTURE OF SMALL MOLECULE ARS-853 COVALENTLY BOUND TO K-RAS G12C
Descriptor:GTPase KRas, MAGNESIUM ION, GLYCEROL, ...
Authors:Patricelli, M.P., Janes, M.R., Li, L.-S., Hansen, R., Peters, U., Kessler, L.V., Chen, Y., Kucharski, J.M., Feng, J., Ely, T., Chen, J.H., Firdaus, S.J., Babbar, A., Ren, P., Liu, Y.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.
Cancer Discov, 6, 2016
5V9U
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CRYSTAL STRUCTURE OF SMALL MOLECULE ARS-1620 COVALENTLY BOUND TO K-RAS G12C
Descriptor:GTPase KRas, CALCIUM ION, (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, ...
Authors:Janes, M.R., Zhang, J., Li, L.-S., Hansen, R., Peters, U., Guo, X., Chen, Y., Babbar, A., Firdaus, S.J., Feng, J., Chen, J.H., Li, S., Brehmer, D., Darjania, L., Li, S., Long, Y.O., Thach, C., Liu, Y., Zarieh, A., Ely, T., Kucharski, J.M., Kessler, L.V., Wu, T., Wang, Y., Yao, Y., Deng, X., Zarrinkar, P., Dashyant, D., Lorenzi, M.V., Hu-Lowe, D., Patricelli, M.P., Ren, P., Liu, Y.
Deposit date:2017-03-23
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
3SJM
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CRYSTAL STRUCTURE ANALYSIS OF TRF2-DBD-DNA COMPLEX
Descriptor:DNA (5'-D(*CP*TP*CP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*GP*A)-3'), Telomeric repeat-binding factor 2
Authors:Nair, S.K., Sliverman, S.K., Chen, J.H., Xiao, Y.
Deposit date:2011-06-21
Release date:2012-10-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure Analysis of TRF2-Dbd-DNA complex
To be Published
3NKB
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A 1.9A CRYSTAL STRUCTURE OF THE HDV RIBOZYME PRECLEAVAGE SUGGESTS BOTH LEWIS ACID AND GENERAL ACID MECHANISMS CONTRIBUTE TO PHOSPHODIESTER CLEAVAGE
Descriptor:DNA/RNA (5'-D(*(DUR))-D(*GP*G)-R(P*CP*UP*UP*GP*CP*A)-3'), The hepatitis delta virus ribozyme, MAGNESIUM ION
Authors:Chen, J.-H., Yajima, R., Chadalavada, D.M., Chase, E., Bevilacqua, P.C., Golden, B.L.
Deposit date:2010-06-18
Release date:2010-09-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.916 Å)
Cite:A 1.9 A crystal structure of the HDV ribozyme precleavage suggests both Lewis acid and general acid mechanisms contribute to phosphodiester cleavage.
Biochemistry, 49, 2010
5ZE8
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CRYSTAL STRUCTURE OF A PENTA-HEME CYTOCHROME C552 FROM THERMOCHROMATIUM TEPIDUM
Descriptor:cytochrome c552, HEME C, SULFATE ION, ...
Authors:Yu, L.-J., Chen, J.-H., Shen, J.-R.
Deposit date:2018-02-27
Release date:2018-04-25
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Properties and structure of a low-potential, penta-heme cytochrome c552from a thermophilic purple sulfur photosynthetic bacterium Thermochromatium tepidum.
Photosyn. Res., 139, 2019
6IIJ
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CRYO-EM STRUCTURE OF CV-A10 MATURE VIRION
Descriptor:VP1, VP2, VP3, ...
Authors:Chen, J.H., Ye, X.H., Cong, Y., Huang, Z.
Deposit date:2018-10-06
Release date:2018-11-07
Last modified:2019-05-22
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses.
Cell Discov, 5, 2019
6IIO
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CRYO-EM STRUCTURE OF CV-A10 NATIVE EMPTY PARTICLE
Descriptor:VP1, VP0, VP3
Authors:Chen, J.H., Ye, X.H., Cong, Y., Huang, Z.
Deposit date:2018-10-07
Release date:2018-11-07
Last modified:2019-05-22
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses.
Cell Discov, 5, 2019
2RKJ
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COCRYSTAL STRUCTURE OF A TYROSYL-TRNA SYNTHETASE SPLICING FACTOR WITH A GROUP I INTRON RNA
Descriptor:RNA (238-MER), RNA (5'-R(P*GP*CP*UP*U)-3'), Tyrosyl-tRNA synthetase
Authors:Paukstelis, P.J., Chen, J.-H., Chase, E., Lambowitz, A.M., Golden, B.L.
Deposit date:2007-10-16
Release date:2008-01-08
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structure of a tyrosyl-tRNA synthetase splicing factor bound to a group I intron RNA.
Nature, 451, 2008
3K53
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CRYSTAL STRUCTURE OF NFEOB FROM P. FURIOSUS
Descriptor:Ferrous iron transport protein b
Authors:Eng, E.T., Dong, G., Unger, V.M.
Deposit date:2009-10-06
Release date:2010-05-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural fold, conservation and Fe(II) binding of the intracellular domain of prokaryote FeoB.
J.Struct.Biol., 170, 2010
3OOL
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I-SCEI COMPLEXED WITH C/G+4 DNA SUBSTRATE
Descriptor:Intron encoded endonuclease I-SceI, 5'-D(*CP*AP*CP*GP*CP*TP*AP*GP*GP*GP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*AP*AP*TP*AP*C)-3', 5'-D(*GP*GP*TP*AP*TP*TP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*CP*CP*CP*TP*AP*GP*CP*GP*T)-3', ...
Authors:Joshi, R., Chen, J.-H., Golden, B.L., Gimble, F.S.
Deposit date:2010-08-31
Release date:2010-11-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolution of I-SceI Homing Endonucleases with Increased DNA Recognition Site Specificity.
J.Mol.Biol., 405, 2011
3OOR
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I-SCEI MUTANT (K86R/G100T)COMPLEXED WITH C/G+4 DNA SUBSTRATE
Descriptor:Intron encoded endonuclease I-SceI, 5'-D(*CP*AP*CP*GP*CP*TP*AP*GP*GP*GP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*AP*AP*TP*AP*C)-3', 5'-D(*GP*GP*TP*AP*TP*TP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*CP*CP*CP*TP*AP*GP*CP*GP*T)-3', ...
Authors:Joshi, R., Chen, J.-H., Golden, B.L., Gimble, F.S.
Deposit date:2010-08-31
Release date:2010-11-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evolution of I-SceI Homing Endonucleases with Increased DNA Recognition Site Specificity.
J.Mol.Biol., 405, 2011
4ETX
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CRYSTAL STRUCTURE OF PELD 158-CT FROM PSEUDOMONAS AERUGINOSA PAO1
Descriptor:PelD
Authors:Li, Z., Chen, J., Nair, S.K.
Deposit date:2012-04-24
Release date:2012-07-25
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
4ETZ
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CRYSTAL STRUCTURE OF PELD 158-CT FROM PSEUDOMONAS AERUGINOSA PAO1
Descriptor:PelD, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
Authors:Li, Z., Chen, J., Nair, S.K.
Deposit date:2012-04-24
Release date:2012-07-25
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
4EU0
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CRYSTAL STRUCTURE OF PELD 158-CT FROM PSEUDOMONAS AERUGINOSA PAO1
Descriptor:PelD, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
Authors:Li, Z., Chen, J., Nair, S.K.
Deposit date:2012-04-24
Release date:2012-07-25
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
4EUV
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CRYSTAL STRUCTURE OF PELD 158-CT FROM PSEUDOMONAS AERUGINOSA PAO1, IN COMPLEX WITH C-DI-GMP, FORM 1
Descriptor:PelD, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one)
Authors:Li, Z., Chen, J., Nair, S.K.
Deposit date:2012-04-25
Release date:2012-07-25
Last modified:2012-09-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
4M6B
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CRYSTAL STRUCTURE OF YEAST SWR1-Z DOMAIN IN COMPLEX WITH H2A.Z-H2B DIMER
Descriptor:Chimera protein of Histone H2B.1 and Histone H2A.Z, Helicase SWR1
Authors:Hong, J.J., Feng, H.Q., Wang, F., Ranjan, A., Chen, J.H., Jiang, J.S., Girlando, R., Xiao, T.S., Wu, C., Bai, Y.W.
Deposit date:2013-08-09
Release date:2014-02-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Catalytic Subunit of the SWR1 Remodeler Is a Histone Chaperone for the H2A.Z-H2B Dimer.
Mol.Cell, 53, 2014
3PRE
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QUINAZOLINES WITH INTRA-MOLECULAR HYDROGEN BONDING SCAFFOLD (IMHBS) AS PI3K/MTOR DUAL INHIBITORS.
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Knighton, D.R., Greasley, S.E., Rodgers, C.M.-L.
Deposit date:2010-11-29
Release date:2011-02-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PRZ
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QUINAZOLINES WITH INTRA-MOLECULAR HYDROGEN BONDING SCAFFOLD (IMHBS) AS PI3K/MTOR DUAL INHIBITORS.
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide
Authors:Knighton, D.R., Greasley, S.E., Rodgers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PS6
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QUINAZOLINES WITH INTRA-MOLECULAR HYDROGEN BONDING SCAFFOLD (IMHBS) AS PI3K/MTOR DUAL INHIBITORS.
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
Authors:Knighton, D.R., Greasley, S.E., Rogers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4AG8
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CRYSTAL STRUCTURE OF THE VEGFR2 KINASE DOMAIN IN COMPLEX WITH AXITINIB (AG-013736) (N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H- INDAZOL-6-YLSULFANYL)-BENZAMIDE)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, AXITINIB
Authors:McTigue, M., Wickersham, J., Pinko, C., Kania, R.S., Bender, S.
Deposit date:2012-01-24
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AGC
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH AXITINIB (AG-013736) (N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL- VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, AXITINIB
Authors:Mctigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Kania, R.S.
Deposit date:2012-01-26
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AGD
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-DIETHYLAMINOETHYL)-5-((Z)-(5- FLUORO-2-OXO-1H-INDOL-3-YLIDENE)METHYL)-2,4-DIMETHYL-1H-PYRROLE-3- CARBOXAMIDE)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-01-26
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ASD
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SORAFENIB (BAY 43-9006)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-04-30
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4ASE
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CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951)
Descriptor:VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2, TIVOZANIB
Authors:McTigue, M., Deng, Y., Ryan, K., Brooun, A., Diehl, W., Stewart, A.
Deposit date:2012-04-30
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Molecular Conformations, Interactions, and Properties Associated with Drug Efficiency and Clinical Performance Among Vegfr Tk Inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4I3T
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STRUCTURE OF PHOSPHONOACETALDEHYDE DEHYDROGENASE IN THE APO STATE
Descriptor:Aldehyde dehydrogenase (NAD+), PHOSPHATE ION
Authors:Nair, S.K., Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
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