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6Y6D
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BU of 6y6d by Molmil
Tubulin-7-Aminonoscapine complex
Descriptor: (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Oliva, M.A, Prota, A.E, Rodriguez-Salarichs, J, Gu, W, Bennani, Y.L, Jimenez-Barbero, J, Canales, A, Steinmetz, M.O, Diaz, J.F.
Deposit date:2020-02-26
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of Noscapine Activation for Tubulin Binding.
J.Med.Chem., 63, 2020
5JUN
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BU of 5jun by Molmil
PB2 bound to an azaindole inhibitor
Descriptor: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2016-05-10
Release date:2017-05-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
5JUR
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BU of 5jur by Molmil
PB2 bound to an azaindole inhibitor
Descriptor: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2016-05-10
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2.
ACS Med Chem Lett, 8, 2017
3IO7
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BU of 3io7 by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-13
Release date:2009-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
3IOK
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BU of 3iok by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-14
Release date:2009-11-10
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
3JY9
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BU of 3jy9 by Molmil
Janus Kinase 2 Inhibitors
Descriptor: (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one, SODIUM ION, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-09-21
Release date:2009-12-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole.
J.Med.Chem., 52, 2009
3KCK
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BU of 3kck by Molmil
A Novel Chemotype of Kinase Inhibitors
Descriptor: 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Wang, T, Ledeboer, M.W.
Deposit date:2009-10-21
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
4YTF
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BU of 4ytf by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2
Authors:Farmer, L, Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTI
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BU of 4yti by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTC
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BU of 4ytc by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease
Descriptor: N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
6B2Q
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BU of 6b2q by Molmil
Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
Descriptor: 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknA
Authors:Zuccola, H.J.
Deposit date:2017-09-20
Release date:2018-02-14
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
6B2P
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BU of 6b2p by Molmil
Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis
Descriptor: 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB
Authors:Zuccola, H.J.
Deposit date:2017-09-20
Release date:2018-02-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
4NCM
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BU of 4ncm by Molmil
Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4NCE
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BU of 4nce by Molmil
Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2013-10-24
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014
4P1U
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BU of 4p1u by Molmil
Influenza A (flu) virus polymerase basic protein 2 (PB2) bound to VX787, an azaindole inhibitor
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
Authors:Jacobs, M.D.
Deposit date:2014-02-27
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2.
J.Med.Chem., 57, 2014

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PDB entries from 2024-03-27

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