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1NXK
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CRYSTAL STRUCTURE OF STAUROSPORINE BOUND TO MAP KAP KINASE 2
Descriptor:MAP kinase-activated protein kinase 2, STAUROSPORINE, SULFATE ION
Authors:Underwood, K.W., Parris, K.D., Federico, E., Mosyak, L., Czerwinski, R.M., Shane, T., Taylor, M., Svenson, K., Liu, Y., Hsiao, C.L., Wolfrom, S., Malakian, K., Telliez, J.B., Lin, L.L., Kriz, R.W., Seehra, J., Somers, W.S., Stahl, M.L.
Deposit date:2003-02-10
Release date:2003-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
1NY3
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CRYSTAL STRUCTURE OF ADP BOUND TO MAP KAP KINASE 2
Descriptor:MAP kinase-activated protein kinase 2, ADENOSINE-5'-DIPHOSPHATE
Authors:Underwood, K.W., Parris, K.D., Federico, E., Mosyak, L., Shane, T., Taylor, M., Svenson, K., Liu, Y., Hsiao, C.L., Wolfrom, S., Maguire, M., Malakian, K., Telliez, J.B., Lin, L.L., Kriz, R.W., Seehra, J., Somers, W.S., Stahl, M.L.
Deposit date:2003-02-11
Release date:2003-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Catalytically active MAP KAP kinase 2 structures in complex with staurosporine and ADP reveal differences with the autoinhibited enzyme
Structure, 11, 2003
5TOZ
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JAK3 WITH COVALENT INHIBITOR PF-06651600
Descriptor:Tyrosine-protein kinase JAK3, 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2016-10-19
Release date:2016-11-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
1F2H
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SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE TNFR1 ASSOCIATED PROTEIN, TRADD.
Descriptor:TUMOR NECROSIS FACTOR RECEPTOR TYPE 1 ASSOCIATED DEATH DOMAIN PROTEIN
Authors:Tsao, D., McDonaugh, T., Malakian, K., Xu, G.-Y., Telliez, J.-B., Hsu, H., Lin, L.-L.
Deposit date:2000-05-24
Release date:2001-05-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of N-TRADD and characterization of the interaction of N-TRADD and C-TRAF2, a key step in the TNFR1 signaling pathway.
Mol.Cell, 5, 2000
3FPM
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CRYSTAL STRUCTURE OF A SQUARATE INHIBITOR BOUND TO MAPKAP KINASE-2
Descriptor:MAP kinase-activated protein kinase 2, 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
Authors:Parris, K.D.
Deposit date:2009-01-05
Release date:2009-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)
Bioorg.Med.Chem., 17, 2009
5TTS
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JAK3 WITH COVALENT INHIBITOR 4
Descriptor:Tyrosine-protein kinase JAK3, 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTU
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JAK3 WITH COVALENT INHIBITOR 7
Descriptor:Tyrosine-protein kinase JAK3, 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
5TTV
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JAK3 WITH COVALENT INHIBITOR 6
Descriptor:Tyrosine-protein kinase JAK3, N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide
Authors:Vajdos, F.F.
Deposit date:2016-11-04
Release date:2017-02-22
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.
J. Med. Chem., 60, 2017
6BBU
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CRYSTAL STRUCTURE OF JAK1 IN COMPLEX WITH COMPOUND 25
Descriptor:Tyrosine-protein kinase JAK1, N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide
Authors:Han, S.
Deposit date:2017-10-19
Release date:2018-01-17
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6BBV
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CRYSTAL STRUCTURE OF JAK2 IN COMPLEX WITH COMPOUND 25
Descriptor:Tyrosine-protein kinase JAK2, N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide
Authors:Han, S.
Deposit date:2017-10-19
Release date:2018-01-17
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6DA4
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JAK3 WITH CYANAMIDE CP10
Descriptor:Tyrosine-protein kinase JAK3, (Z)-1-{2,2-difluoro-6-[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}methanimine
Authors:Vajdos, F.F.
Deposit date:2018-05-01
Release date:2018-11-28
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DB3
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JAK3 WITH CYANAMIDE CP23
Descriptor:Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
Authors:Vajdos, F.F.
Deposit date:2018-05-02
Release date:2018-11-28
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DB4
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JAK3 WITH CYANAMIDE CP34
Descriptor:Tyrosine-protein kinase JAK3, N-[(1S)-6-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide
Authors:Vajdos, F.F.
Deposit date:2018-05-02
Release date:2018-11-28
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DBK
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TYK2 WITH COMPOUND 8
Descriptor:Non-receptor tyrosine-protein kinase TYK2, 4-({4-[(1S,4S)-5-(cyanoacetyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl}amino)-N-ethylbenzamide
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBM
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TYK2 WITH COMPOUND 23
Descriptor:Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DBN
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JAK1 WITH COMPOUND 23
Descriptor:Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6DUD
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JAK3 WITH CYANAMIDE CP12
Descriptor:Tyrosine-protein kinase JAK3, N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION
Authors:Vajdos, F.F.
Deposit date:2018-06-20
Release date:2018-11-28
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018