2OZK
 
 | | Structure of an N-Terminal Truncated Form of Nendou (NSP15) From SARS-CORONAVIRUS | | Descriptor: | Uridylate-specific endoribonuclease | | Authors: | Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P. | | Deposit date: | 2007-02-26 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | 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
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2OFZ
 | | Ultrahigh Resolution Crystal Structure of RNA Binding Domain of SARS Nucleopcapsid (N Protein) at 1.1 Angstrom Resolution in Monoclinic Form. | | Descriptor: | 1,2-ETHANEDIOL, Nucleocapsid protein | | Authors: | Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P. | | Deposit date: | 2007-01-04 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein.
J.Virol., 81, 2007
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2OG3
 | | structure of the rna binding domain of n protein from SARS coronavirus in cubic crystal form | | Descriptor: | Nucleocapsid protein | | Authors: | Saikatendu, K, Joseph, J, Subramanian, V, Neuman, B, Buchmeier, M, Stevens, R.C, Kuhn, P. | | Deposit date: | 2007-01-05 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Ribonucleocapsid formation of severe acute respiratory syndrome coronavirus through molecular action of the N-terminal domain of N protein.
J.Virol., 81, 2007
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6OHD
 | | P38 in complex with T-3220137 | | Descriptor: | 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 | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2019-04-05 | | Release date: | 2019-11-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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
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6E0R
 | | 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 | | Descriptor: | 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 | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2018-07-06 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | 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
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6EDL
 | | 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 | | Descriptor: | 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 | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2018-08-09 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | 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
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6EBW
 | | 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 | | Descriptor: | 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 | | Authors: | Lane, W, Saikatendu, K. | | Deposit date: | 2018-08-07 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.455 Å) | | Cite: | 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
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2RNK
 | | NMR structure of the domain 513-651 of the SARS-CoV nonstructural protein nsp3 | | Descriptor: | Replicase polyprotein 1ab | | Authors: | 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) | | Deposit date: | 2008-01-11 | | Release date: | 2008-02-05 | | Last modified: | 2023-02-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
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2IDY
 | | NMR Structure of the SARS-CoV non-structural protein nsp3a | | Descriptor: | NSP3 | | Authors: | 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) | | Deposit date: | 2006-09-15 | | Release date: | 2006-12-05 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure of the N-terminal domain of nonstructural protein 3 from the severe acute respiratory syndrome coronavirus.
J.Virol., 81, 2007
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2JZD
 | | NMR structure of the domain 527-651 of the SARS-CoV nonstructural protein nsp3 | | Descriptor: | Replicase polyprotein 1ab | | Authors: | 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) | | Deposit date: | 2008-01-04 | | Release date: | 2008-02-05 | | Last modified: | 2023-02-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
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2JZE
 | | 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 | | Descriptor: | Replicase polyprotein 1ab | | Authors: | 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) | | Deposit date: | 2008-01-04 | | Release date: | 2008-02-05 | | Last modified: | 2023-02-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
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2JZF
 | | NMR Conformer closest to the mean coordinates of the domain 513-651 of the SARS-CoV nonstructural protein nsp3 | | Descriptor: | Replicase polyprotein 1ab | | Authors: | 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) | | Deposit date: | 2008-01-04 | | Release date: | 2008-02-05 | | Last modified: | 2023-02-01 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
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2GDT
 | | NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus | | Descriptor: | Leader protein; p65 homolog; NSP1 (EC 3.4.22.-) | | Authors: | 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) | | Deposit date: | 2006-03-17 | | Release date: | 2007-02-06 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | 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
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2HSX
 | | NMR Structure of the nonstructural protein 1 (nsp1) from the SARS coronavirus | | Descriptor: | Leader protein; p65 homolog; NSP1 (EC 3.4.22.-) | | Authors: | 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) | | Deposit date: | 2006-07-24 | | Release date: | 2007-02-06 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | 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
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2KAF
 | | Solution structure of the SARS-unique domain-C from the nonstructural protein 3 (nsp3) of the severe acute respiratory syndrome coronavirus | | Descriptor: | Non-structural protein 3 | | Authors: | 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) | | Deposit date: | 2008-11-05 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | SARS coronavirus unique domain: three-domain molecular architecture in solution and RNA binding.
J.Mol.Biol., 400, 2010
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7JYT
 | | hALK in complex with 3-(3-methyl-1H-pyrazol-5-yl)pyridine | | Descriptor: | 3-(3-methyl-1H-pyrazol-5-yl)pyridine, ALK tyrosine kinase receptor, GLYCEROL | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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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7JY4
 | | hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy)cyclopropyl)methanamine | | Descriptor: | 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl}methanamine, ALK tyrosine kinase receptor | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | 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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7JYS
 | | hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | 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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7JYR
 | | hALK in complex with 1-[(1R,2R)-1-(2,4-difluorophenyl)-2-[2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl]methanamine | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile, ALK tyrosine kinase receptor | | Authors: | McGrath, A.P, Zou, H, Lane, W, Saikatendu, K. | | Deposit date: | 2020-08-31 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | 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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