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1ZVA
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A structure-based mechanism of SARS virus membrane fusion
分子名称: E2 glycoprotein
著者Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
登録日2005-06-01
公開日2006-05-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: E2 glycoprotein
著者Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
登録日2005-06-01
公開日2006-05-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: ACETATE ION, CACODYLATE ION, E2 glycoprotein, ...
著者Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
登録日2005-06-01
公開日2006-05-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
1ZV7
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BU of 1zv7 by Molmil
A structure-based mechanism of SARS virus membrane fusion
分子名称: CHLORIDE ION, spike glycoprotein
著者Deng, Y, Liu, J, Zheng, Q, Yong, W, Dai, J, Lu, M.
登録日2005-06-01
公開日2006-05-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures and Polymorphic Interactions of Two Heptad-Repeat Regions of the SARS Virus S2 Protein.
Structure, 14, 2006
2B22
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BU of 2b22 by Molmil
Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat
分子名称: General control protein GCN4, SODIUM ION
著者Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M.
登録日2005-09-16
公開日2006-01-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
2B1F
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Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat
分子名称: General control protein GCN4
著者Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M.
登録日2005-09-15
公開日2006-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
4QYY
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Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
分子名称: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者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.
登録日2014-07-26
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
6QYH
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Structure of Apo HPAB from E.coli
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, CALCIUM ION, ...
著者Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M.
登録日2019-03-09
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
6QYI
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Structure of HPAB from E.coli in complex with FAD
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, DI(HYDROXYETHYL)ETHER, ...
著者Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M.
登録日2019-03-09
公開日2019-06-12
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
8G2G
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Crystal structure of PRMT3 with compound YD1113
分子名称: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION
著者Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J.
登録日2023-02-03
公開日2023-04-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2F
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Crystal Structure of PRMT3 with Compound II710
分子名称: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2023-05-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2H
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Crystal Structure of PRMT4 with Compound YD1113
分子名称: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2023-12-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
6AW4
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1.50A resolution structure of catechol O-methyltransferase (COMT) from Nannospalax galili
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catechol O-methyltransferase, GLYCEROL, ...
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
登録日2017-09-05
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
登録日2017-09-05
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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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BU of 6aw7 by Molmil
2.15A resolution structure of SAH bound catechol O-methyltransferase (COMT) from Nannospalax galili
分子名称: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
登録日2017-09-05
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
分子名称: Catechol O-methyltransferase, SULFATE ION
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
登録日2017-09-05
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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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BU of 6aw5 by Molmil
1.90A resolution structure of catechol O-methyltransferase (COMT) L136M (hexagonal form) from Nannospalax galili
分子名称: CHLORIDE ION, Catechol O-methyltransferase, GLYCEROL, ...
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
登録日2017-09-05
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
登録日2017-09-05
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
8G2I
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BU of 8g2i by Molmil
Crystal Structure of PRMT4 with Compound YD1290
分子名称: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-02-03
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
4UXL
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Structure of Human ROS1 Kinase Domain in Complex with PF-06463922
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ROS
著者McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A.
登録日2014-08-25
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pf-06463922 is a Potent and Selective Next-Generation Ros1/Alk Inhibitor Capable of Blocking Crizotinib-Resistant Ros1 Mutations.
Proc.Natl.Acad.Sci.USA, 112, 2015
6DCG
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Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
分子名称: (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, Mitogen-activated protein kinase 1, SULFATE ION
著者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.
登録日2018-05-06
公開日2018-08-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
2A7R
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Crystal structure of human Guanosine Monophosphate reductase 2 (GMPR2)
分子名称: GMP reductase 2, GUANOSINE-5'-MONOPHOSPHATE, SULFATE ION
著者Li, J, Wei, Z, Zheng, M, Gu, X, Deng, Y, Qiu, R, Chen, F, Ji, C, Gong, W, Xie, Y, Mao, Y.
登録日2005-07-05
公開日2006-01-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Human Guanosine Monophosphate Reductase 2 (GMPR2) in Complex with GMP
J.Mol.Biol., 355, 2006
2GUV
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Conformational Transition between Four- and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction
分子名称: Major outer membrane lipoprotein
著者Liu, J, Zheng, Q, Deng, Y, Kallenbach, N.R, Lu, M.
登録日2006-05-01
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Conformational Transition between Four and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction.
J.Mol.Biol., 361, 2006
2GUS
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Conformational Transition between Four- and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction
分子名称: Major outer membrane lipoprotein
著者Liu, J, Zheng, Q, Deng, Y, Kallenbach, N.R, Lu, M.
登録日2006-05-01
公開日2006-07-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conformational Transition between Four and Five-stranded Phenylalanine Zippers Determined by a Local Packing Interaction.
J.Mol.Biol., 361, 2006
2HY6
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A seven-helix coiled coil
分子名称: General control protein GCN4, HEXANE-1,6-DIOL
著者Liu, J, Zheng, Q, Deng, Y, Cheng, C.S, Kallenbach, N.R, Lu, M.
登録日2006-08-04
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A seven-helix coiled coil.
Proc.Natl.Acad.Sci.Usa, 103, 2006

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