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PDB: 19 件

2OZK
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BU of 2ozk by Molmil
Structure of an N-Terminal Truncated Form of Nendou (NSP15) From SARS-CORONAVIRUS
分子名称: Uridylate-specific endoribonuclease
著者Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P.
登録日2007-02-26
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of a monomeric form of severe acute respiratory syndrome coronavirus endonuclease nsp15 suggests a role for hexamerization as an allosteric switch.
J.Virol., 81, 2007
2OG3
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BU of 2og3 by Molmil
structure of the rna binding domain of n protein from SARS coronavirus in cubic crystal form
分子名称: Nucleocapsid protein
著者Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P.
登録日2007-01-05
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein.
J.Virol., 81, 2007
2OFZ
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BU of 2ofz by Molmil
Ultrahigh Resolution Crystal Structure of RNA Binding Domain of SARS Nucleopcapsid (N Protein) at 1.1 Angstrom Resolution in Monoclinic Form.
分子名称: 1,2-ETHANEDIOL, Nucleocapsid protein
著者Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P.
登録日2007-01-04
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein.
J.Virol., 81, 2007
2RNK
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BU of 2rnk by Molmil
NMR structure of the domain 513-651 of the SARS-CoV nonstructural protein nsp3
分子名称: Replicase polyprotein 1ab
著者Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B.W, Wilson, I.A, Stevens, R.C, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2008-01-11
公開日2008-02-05
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
6E0R
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BU of 6e0r by Molmil
hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
分子名称: ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
著者Lane, W, Saikatendu, K.
登録日2018-07-06
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
6EDL
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BU of 6edl by Molmil
hALK in complex with compound 1 (S)-N-(1-(2,4-difluorophenyl)ethyl)-3-(3-methyl-1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
分子名称: ALK tyrosine kinase receptor, N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
著者Lane, W, Saikatendu, K.
登録日2018-08-09
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
6OHD
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BU of 6ohd by Molmil
P38 in complex with T-3220137
分子名称: 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14
著者Lane, W, Saikatendu, K.
登録日2019-04-05
公開日2019-11-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019
6EBW
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BU of 6ebw by Molmil
hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)(morpholin-4-yl)methanone
分子名称: ALK tyrosine kinase receptor, [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
著者Lane, W, Saikatendu, K.
登録日2018-08-07
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.455 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
2GDT
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BU of 2gdt by Molmil
NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus
分子名称: Leader protein; p65 homolog; NSP1 (EC 3.4.22.-)
著者Almeida, M.S, Herrmann, T, Geralt, M, Johnson, M.A, Saikatendu, K, Joseph, J, Subramanian, R.C, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2006-03-17
公開日2007-02-06
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Novel beta-barrel fold in the nuclear magnetic resonance structure of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus.
J.Virol., 81, 2007
2IDY
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BU of 2idy by Molmil
NMR Structure of the SARS-CoV non-structural protein nsp3a
分子名称: NSP3
著者Serrano, P, Almeida, M.S, Johnson, M.A, Horst, R, Herrmann, T, Joseph, J, Saikatendu, K, Subramanian, V, Stevens, R.C, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2006-09-15
公開日2006-12-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure of the N-terminal domain of nonstructural protein 3 from the severe acute respiratory syndrome coronavirus.
J.Virol., 81, 2007
7JYS
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BU of 7jys by Molmil
hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole
分子名称: 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-31
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
7JYR
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BU of 7jyr by Molmil
hALK in complex with 1-[(1R,2R)-1-(2,4-difluorophenyl)-2-[2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl]methanamine
分子名称: 1,2-ETHANEDIOL, 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile, ALK tyrosine kinase receptor
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-31
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
7JY4
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BU of 7jy4 by Molmil
hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine
分子名称: 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine, ALK tyrosine kinase receptor
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-28
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
2JZD
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BU of 2jzd by Molmil
NMR structure of the domain 527-651 of the SARS-CoV nonstructural protein nsp3
分子名称: Replicase polyprotein 1ab
著者Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B, Stevens, R.C, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2008-01-04
公開日2008-02-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
2JZE
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BU of 2jze by Molmil
NMR structure of the domain 527-651 of the SARS-CoV nonstructural protein nsp3, single conformer closest to the mean coordinates of an ensemble of twenty energy minimized conformers
分子名称: Replicase polyprotein 1ab
著者Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B, Stevens, R.C, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2008-01-04
公開日2008-02-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
2JZF
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BU of 2jzf by Molmil
NMR Conformer closest to the mean coordinates of the domain 513-651 of the SARS-CoV nonstructural protein nsp3
分子名称: Replicase polyprotein 1ab
著者Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B, Stevens, R.C, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2008-01-04
公開日2008-02-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
2HSX
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BU of 2hsx by Molmil
NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus
分子名称: Leader protein; p65 homolog; NSP1 (EC 3.4.22.-)
著者Almeida, M.S, Herrmann, T, Geralt, M, Johnson, M.A, Saikatendu, K, Joseph, J, Subramanian, R.C, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2006-07-24
公開日2007-02-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Novel beta-barrel fold in the nuclear magnetic resonance structure of the replicase nonstructural protein 1 from the severe acute respiratory syndrome coronavirus.
J.Virol., 81, 2007
2KAF
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BU of 2kaf by Molmil
Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus
分子名称: Non-structural protein 3
著者Johnson, M.A, Mohanty, B, Pedrini, B, Serrano, P, Chatterjee, A, Herrmann, T, Joseph, J, Saikatendu, K, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2008-11-05
公開日2008-11-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献SARS coronavirus unique domain: three-domain molecular architecture in solution and RNA binding.
J.Mol.Biol., 400, 2010
7JYT
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BU of 7jyt by Molmil
hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine
分子名称: 3-(3-methyl-1H-pyrazol-5-yl)pyridine, ALK tyrosine kinase receptor, GLYCEROL
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-31
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020

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