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PDB: 28 results

2ACF
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BU of 2acf by Molmil
NMR STRUCTURE OF SARS-COV NON-STRUCTURAL PROTEIN NSP3A (SARS1) FROM SARS CORONAVIRUS
Descriptor: GLYCEROL, Replicase polyprotein 1ab
Authors:Saikatendu, K.S, Joseph, J.S, Subramanian, V, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Joint Center for Structural Genomics (JCSG)
Deposit date:2005-07-18
Release date:2006-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of severe acute respiratory syndrome coronavirus ADP-ribose-1''-phosphate dephosphorylation by a conserved domain of nsP3.
Structure, 13, 2005
5V7T
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crystal structure of PARP14 bound to N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine inhibitor
Descriptor: N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Poly [ADP-ribose] polymerase 14
Authors:saikatendu, k.s, Hirozane, M.
Deposit date:2017-03-20
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation.
Biochem. Biophys. Res. Commun., 486, 2017
5V7W
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Crystal structure of human PARP14 bound to 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one inhibitor
Descriptor: 2-{[(1-methylpiperidin-4-yl)methyl]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Poly [ADP-ribose] polymerase 14
Authors:saikatendu, k.s, Hirozane, M.
Deposit date:2017-03-20
Release date:2017-05-10
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation.
Biochem. Biophys. Res. Commun., 486, 2017
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.
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
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
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
2OZK
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BU of 2ozk by Molmil
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
6C4D
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BU of 6c4d by Molmil
Structure based design of RIP1 kinase inhibitors
Descriptor: (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
Authors:Saikatendu, K.S, Yoshikawa, M.
Deposit date:2018-01-11
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
6C3E
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CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR
Descriptor: 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1
Authors:Saikatendu, K.S, Yoshikawa, M.
Deposit date:2018-01-09
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
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
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
6OHD
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BU of 6ohd by Molmil
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
2RNK
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BU of 2rnk by Molmil
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:2024-05-22
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
2W1V
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BU of 2w1v by Molmil
Crystal structure of mouse nitrilase-2 at 1.4A resolution
Descriptor: NITRILASE HOMOLOG 2
Authors:Barglow, K.T, Saikatendu, K.S, Stevens, R.C, Cravatt, B.F.
Deposit date:2008-10-21
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Functional Proteomic and Structural Insights Into Molecular Recognition in the Nitrilase Family Enzymes.
Biochemistry, 47, 2008
5U4X
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BU of 5u4x by Molmil
Coactivator-associated arginine methyltransferase 1 with TP-064
Descriptor: Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-12-06
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
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
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
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
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
2IDY
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BU of 2idy by Molmil
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:2024-05-29
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
2FYG
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BU of 2fyg by Molmil
Crystal structure of NSP10 from Sars coronavirus
Descriptor: GLYCEROL, Replicase polyprotein 1ab, ZINC ION
Authors:Joseph, J.S, Saikatendu, K.S, Subramanian, V, Neuman, B.W, Brooun, A, Griffith, M, Moy, K, Yadav, M.K, Velasquez, J, Buchmeier, M.J, Stevens, R.C, Kuhn, P.
Deposit date:2006-02-07
Release date:2006-08-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of nonstructural protein 10 from the severe acute respiratory syndrome coronavirus reveals a novel fold with two zinc-binding motifs.
J.Virol., 80, 2006
2GRI
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BU of 2gri by Molmil
NMR Structure of the SARS-CoV non-structural protein nsp3a
Descriptor: NSP3
Authors:Serrano, P, Almeida, M.S, Johnson, M.A, Herrmann, T, Saikatendu, K.S, Joseph, J, Subramanian, V, Neuman, B.W, Buchmeier, M.J, Stevens, R.C, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2006-04-24
Release date:2006-12-19
Last modified:2024-05-08
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
2JZD
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BU of 2jzd by Molmil
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:2024-05-29
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
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
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:2024-05-29
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
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
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:2024-05-29
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
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
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
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
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
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
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
7JYS
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BU of 7jys by Molmil
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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數據於2024-10-30公開中

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