Author results

4QYY
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DISCOVERY OF NOVEL, DUAL MECHANISM ERK INHIBITORS BY AFFINITY SELECTION SCREENING OF AN INACTIVE KINASE STATE
Descriptor:Mitogen-activated protein kinase 1, (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, SULFATE ION
Authors:Deng, Y., Shipps, G.W., Cooper, A., English, J.M., Annis, D.A., Carr, D., Nan, Y., Wang, T., Zhu, Y.H., Chuang, C., Dayananth, P., Hruza, A.W., Xiao, L., Jin, W., Kirschmeier, P., Windsor, W.T., Samatar, A.A.
Deposit date:2014-07-26
Release date:2014-11-12
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
1ZV7
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A STRUCTURE-BASED MECHANISM OF SARS VIRUS MEMBRANE FUSION
Descriptor:spike glycoprotein, CHLORIDE ION
Authors:Deng, Y., Liu, J., Zheng, Q., Yong, W., Dai, J., Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZV8
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A STRUCTURE-BASED MECHANISM OF SARS VIRUS MEMBRANE FUSION
Descriptor:E2 glycoprotein, SODIUM ION, CACODYLATE ION, ...
Authors:Deng, Y., Liu, J., Zheng, Q., Yong, W., Dai, J., Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZVA
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A STRUCTURE-BASED MECHANISM OF SARS VIRUS MEMBRANE FUSION
Descriptor:E2 glycoprotein
Authors:Deng, Y., Liu, J., Zheng, Q., Yong, W., Dai, J., Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZVB
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A STRUCTURE-BASED MECHANISM OF SARS VIRUS MEMBRANE FUSION
Descriptor:E2 glycoprotein
Authors:Deng, Y., Liu, J., Zheng, Q., Yong, W., Dai, J., Lu, M.
Deposit date:2005-06-01
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
2B1F
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ANTIPARALLEL FOUR-STRANDED COILED COIL SPECIFIED BY A 3-3-1 HYDROPHOBIC HEPTAD REPEAT
Descriptor:General control protein GCN4
Authors:Deng, Y., Liu, J., Zheng, Q., Eliezer, D., Kallenbach, N.R., Lu, M.
Deposit date:2005-09-15
Release date:2006-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
2B22
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ANTIPARALLEL FOUR-STRANDED COILED COIL SPECIFIED BY A 3-3-1 HYDROPHOBIC HEPTAD REPEAT
Descriptor:General control protein GCN4, SODIUM ION
Authors:Deng, Y., Liu, J., Zheng, Q., Eliezer, D., Kallenbach, N.R., Lu, M.
Deposit date:2005-09-16
Release date:2006-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
6AW4
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1.50A RESOLUTION STRUCTURE OF CATECHOL O-METHYLTRANSFERASE (COMT) FROM NANNOSPALAX GALILI
Descriptor:Catechol O-methyltransferase, GLYCEROL, SODIUM ION, ...
Authors:Lovell, S., Mehzabeen, N., Battaile, K.P., Deng, Y., Hanzlik, R.P., Shams, I., Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW5
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1.90A RESOLUTION STRUCTURE OF CATECHOL O-METHYLTRANSFERASE (COMT) L136M (HEXAGONAL FORM) FROM NANNOSPALAX GALILI
Descriptor:Catechol O-methyltransferase, SODIUM ION, CHLORIDE ION, ...
Authors:Lovell, S., Mehzabeen, N., Battaile, K.P., Deng, Y., Hanzlik, R.P., Shams, I., Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW6
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1.70A RESOLUTION STRUCTURE OF CATECHOL O-METHYLTRANSFERASE (COMT) L136M (RHOMBOHEDRAL FORM) FROM NANNOSPALAX GALILI
Descriptor:Catechol O-methyltransferase, SULFATE ION
Authors:Lovell, S., Mehzabeen, N., Battaile, K.P., Deng, Y., Hanzlik, R.P., Shams, I., Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW7
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2.15A RESOLUTION STRUCTURE OF SAH BOUND CATECHOL O-METHYLTRANSFERASE (COMT) FROM NANNOSPALAX GALILI
Descriptor:Catechol O-methyltransferase, CALCIUM ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lovell, S., Mehzabeen, N., Battaile, K.P., Deng, Y., Hanzlik, R.P., Shams, I., Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW8
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2.25A RESOLUTION DOMAIN SWAPPED DIMER STRUCTURE OF SAH BOUND CATECHOL O-METHYLTRANSFERASE (COMT) FROM NANNOSPALAX GALILI
Descriptor:Catechol O-methyltransferase, CALCIUM ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lovell, S., Mehzabeen, N., Battaile, K.P., Deng, Y., Hanzlik, R.P., Shams, I., Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6AW9
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2.55A RESOLUTION STRUCTURE OF SAH BOUND CATECHOL O-METHYLTRANSFERASE (COMT) L136M FROM NANNOSPALAX GALILI
Descriptor:Catechol O-methyltransferase, CALCIUM ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lovell, S., Mehzabeen, N., Battaile, K.P., Deng, Y., Hanzlik, R.P., Shams, I., Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
2A7R
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CRYSTAL STRUCTURE OF HUMAN GUANOSINE MONOPHOSPHATE REDUCTASE 2 (GMPR2)
Descriptor:GMP reductase 2, SULFATE ION, GUANOSINE-5'-MONOPHOSPHATE
Authors:Li, J., Wei, Z., Zheng, M., Gu, X., Deng, Y., Qiu, R., Chen, F., Ji, C., Gong, W., Xie, Y., Mao, Y.
Deposit date:2005-07-05
Release date:2006-01-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of Human Guanosine Monophosphate Reductase 2 (GMPR2) in Complex with GMP
J.Mol.Biol., 355, 2006
4MOD
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STRUCTURE OF THE MERS-COV FUSION CORE
Descriptor:HR1 of S protein, LINKER, HR2 of S protein
Authors:Gao, J., Lu, G., Qi, J., Li, Y., Wu, Y., Deng, Y., Geng, H., Xiao, H., Tan, W., Yan, J., Gao, G.F.
Deposit date:2013-09-12
Release date:2013-10-09
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structure of the fusion core and inhibition of fusion by a heptad-repeat peptide derived from the S protein of MERS-CoV
J.Virol., 2013
5WST
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CRYSTAL STRUCTURE OF MYO7A SAH
Descriptor:Unconventional myosin-VIIa
Authors:Li, J., Chen, Y., Deng, Y., Lu, Q., Zhang, M.
Deposit date:2016-12-08
Release date:2017-06-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
5WSU
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CRYSTAL STRUCTURE OF MYOSIN VIIA IQ5-SAH IN COMPLEX WITH APO-CAM
Descriptor:Calmodulin, Unconventional myosin-VIIa
Authors:Li, J., Chen, Y., Deng, Y., Lu, Q., Zhang, M.
Deposit date:2016-12-08
Release date:2017-06-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
5WSV
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CRYSTAL STRUCTURE OF MYOSIN VIIA IQ5 IN COMPLEX WITH CA2+-CAM
Descriptor:Calmodulin, Unconventional myosin-VIIa, CALCIUM ION, ...
Authors:Li, J., Chen, Y., Deng, Y., Lu, Q., Zhang, M.
Deposit date:2016-12-08
Release date:2017-06-07
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Ca(2+)-Induced Rigidity Change of the Myosin VIIa IQ Motif-Single alpha Helix Lever Arm Extension
Structure, 25, 2017
6DCG
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DISCOVERY OF MK-8353: AN ORALLY BIOAVAILABLE DUAL MECHANISM ERK INHIBITOR FOR ONCOLOGY
Descriptor:Mitogen-activated protein kinase 1, SULFATE ION, (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide
Authors:Boga, S.B., Deng, Y., Zhu, L., Nan, Y., Cooper, A., Shipps Jr., G.W., Doll, R., Shih, N., Zhu, H., Sun, R., Wang, T., Paliwal, S., Tsui, H., Gao, X., Yao, X., Desai, J., Wang, J., Alhassan, A.B., Kelly, J., Patel, M., Muppalla, K., Gudipati, S., Zhang, L., Buevich, A., Hesk, D., Carr, D., Dayananth, P., Mei, H., Cox, K., Sherborne, B., Hruza, A.W., Xiao, L., Jin, W., Long, B., Liu, G., Taylor, S.A., Kirschmeier, P., Windsor, W.T., Bishop, R., Samatar, A.A.
Deposit date:2018-05-06
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
1IA8
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THE 1.7 A CRYSTAL STRUCTURE OF HUMAN CELL CYCLE CHECKPOINT KINASE CHK1
Descriptor:CHK1 CHECKPOINT KINASE, SULFATE ION
Authors:Chen, P., Luo, C., Deng, Y., Ryan, K., Register, J., Margosiak, S., Tempczyk-Russell, A., Nguyen, B., Myers, P., Lundgren, K., Chen Kan, C.-C., O'Connor, P.M.
Deposit date:2001-03-22
Release date:2001-04-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of human cell cycle checkpoint kinase Chk1: implications for Chk1 regulation.
Cell(Cambridge,Mass.), 100, 2000
1S18
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STRUCTURE AND PROTEIN DESIGN OF HUMAN APYRASE
Descriptor:apyrase, CALCIUM ION, ACETATE ION, ...
Authors:Dai, J., Liu, J., Deng, Y., Smith, T.M., Lu, M.
Deposit date:2004-01-05
Release date:2004-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and protein design of a human platelet function inhibitor.
Cell(Cambridge,Mass.), 116, 2004
1S1D
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STRUCTURE AND PROTEIN DESIGN OF HUMAN APYRASE
Descriptor:apyrase, CALCIUM ION, ACETATE ION, ...
Authors:Dai, J., Liu, J., Deng, Y., Smith, T.M., Lu, M.
Deposit date:2004-01-06
Release date:2004-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and protein design of a human platelet function inhibitor.
Cell(Cambridge,Mass.), 116, 2004
1T8Z
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ATOMIC STRUCTURE OF A NOVEL TRYPTOPHAN-ZIPPER PENTAMER
Descriptor:Major outer membrane lipoprotein, SULFATE ION, DODECAETHYLENE GLYCOL
Authors:Liu, J., Yong, W., Deng, Y., Kallenbach, N.R., Lu, M.
Deposit date:2004-05-13
Release date:2004-11-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic structure of a tryptophan-zipper pentamer.
Proc.Natl.Acad.Sci.USA, 101, 2004
2GUS
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CONFORMATIONAL TRANSITION BETWEEN FOUR- AND FIVE-STRANDED PHENYLALANINE ZIPPERS DETERMINED BY A LOCAL PACKING INTERACTION
Descriptor:Major outer membrane lipoprotein
Authors:Liu, J., Zheng, Q., Deng, Y., Kallenbach, N.R., Lu, M.
Deposit date:2006-05-01
Release date:2006-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conformational Transition between Four and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction.
J.Mol.Biol., 361, 2006
2GUV
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CONFORMATIONAL TRANSITION BETWEEN FOUR- AND FIVE-STRANDED PHENYLALANINE ZIPPERS DETERMINED BY A LOCAL PACKING INTERACTION
Descriptor:Major outer membrane lipoprotein
Authors:Liu, J., Zheng, Q., Deng, Y., Kallenbach, N.R., Lu, M.
Deposit date:2006-05-01
Release date:2006-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conformational Transition between Four and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction.
J.Mol.Biol., 361, 2006