UniProt P23458
Tyrosine-protein kinase JAK1 (P23458)
Tyrosine-protein kinase JAK1 (UniProt P23458), EC 2.7.10.2: 73 experimental structures on GenesisL1, 30 ligands bound, 21 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- P23458
- Protein
- Tyrosine-protein kinase JAK1
- EC
- 2.7.10.2
- Experimental structures
- 73
- Predicted models
- 0
- Ligands
- 30
- Pockets
- 21 · 5 records with a druggable one
Structures
73 records of P23458 in the MolNFT archive: 73 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4E4L | JAK1 kinase (JH1 domain) in complex with compound 30 | x-ray diffraction | A, B, E, D | — | — |
| 4E4L | JAK1 kinase (JH1 domain) in complex with compound 30 | x-ray diffraction | A, B, E, D | — | — |
| 4E4N | JAK1 kinase (JH1 domain) in complex with compound 49 | x-ray diffraction | A, B | — | — |
| 4E4N | JAK1 kinase (JH1 domain) in complex with compound 49 | x-ray diffraction | A, B | — | — |
| 4E5W | JAK1 kinase (JH1 domain) in complex with compound 26 | x-ray diffraction | A, B | — | — |
| 4E5W | JAK1 kinase (JH1 domain) in complex with compound 26 | x-ray diffraction | A, B | — | — |
| 4EHZ | The Jak1 kinase domain in complex with inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 4EHZ | The JAK1 kinase domain in complex with inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 4EI4 | JAK1 kinase (JH1 domain) in complex with compound 20 | x-ray diffraction | A, B | — | — |
| 4EI4 | JAK1 kinase (JH1 domain) in complex with compound 20 | x-ray diffraction | A, B | — | — |
| 4FK6 | JAK1 kinase (JH1 domain) in complex with compound 72 | x-ray diffraction | A, B | — | — |
| 4FK6 | JAK1 kinase (JH1 domain) in complex with compound 72 | x-ray diffraction | A, B | — | — |
| 4GS0 | Crystal structure of SHP1 catalytic domain with JAK1 activation loop peptide | x-ray diffraction | C | — | — |
| 4GS0 | Crystal structure of SHP1 catalytic domain with JAK1 activation loop peptide | x-ray diffraction | C | — | — |
| 4I5C | The Jak1 kinase domain in complex with inhibitor | x-ray diffraction | A, B | — | — |
| 4I5C | The JAK1 kinase domain in complex with inhibitor | x-ray diffraction | A, B | — | — |
| 4IVB | JAK1 kinase (JH1 domain) in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 4IVB | JAK1 kinase (JH1 domain) in complex with the inhibitor trans-4-{2… | x-ray diffraction | A, B | — | — |
| 4IVC | JAK1 kinase (JH1 domain) in complex with the inhibitor… | x-ray diffraction | A, B | — | — |
| 4IVC | JAK1 kinase (JH1 domain) in complex with the inhibitor (trans-4-{2… | x-ray diffraction | A, B | — | — |
| 4IVD | JAK1 kinase (JH1 domain) in complex with compound 34 | x-ray diffraction | A, B | — | — |
| 4IVD | JAK1 kinase (JH1 domain) in complex with compound 34 | x-ray diffraction | A, B | — | — |
| 4K6Z | The Jak1 kinase domain in complex with compound 37 | x-ray diffraction | A | — | — |
| 4K6Z | The JAK1 kinase domain in complex with compound 37 | x-ray diffraction | A | — | — |
| 4K77 | JAK1 kinase (JH1 domain) in complex with compound 6 | x-ray diffraction | A, B | — | — |
| 4K77 | JAK1 kinase (JH1 domain) in complex with compound 6 | x-ray diffraction | A, B | — | — |
| 4L00 | Crystal structure of the apo Jak1 pseudokinase domain | x-ray diffraction | A, B | — | — |
| 4L00 | Crystal structure of the apo JAK1 pseudokinase domain | x-ray diffraction | A, B | — | — |
| 4L01 | Crystal structure of the V658F apo Jak1 pseudokinase domain | x-ray diffraction | A, B | — | — |
| 4L01 | Crystal structure of the V658F apo JAK1 pseudokinase domain | x-ray diffraction | A, B | — | — |
| 5E1E | Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution | x-ray diffraction | A, B | 5JG | — |
| 5E1E | Human JAK1 kinase in complex with compound 30 at 2.30 ångströms resolution | x-ray diffraction | A, B | — | — |
| 5HX8 | JAK1 complex with 4-[(4-AMINOCYCLOHEXYL)AMINO]-3-(1H-benzimidazol-2- yl)-1H-pyridin-2-one | x-ray diffraction | A, B | — | — |
| 5IXD | Structure of human JAK1 FERM/SH2 in complex with ifn lambda receptor | x-ray diffraction | A | — | — |
| 5IXI | Structure of human JAK1 FERM/SH2 in complex with IFNLR1/IL10RA chimera | x-ray diffraction | A | — | 5 (best 0.77) |
| 5IXI | Structure of human JAK1 FERM/SH2 in complex with IFNLR1/IL10RA chimera | x-ray diffraction | A | — | — |
| 5KHW | Crystal structure of JAK1 in complex with ADP | x-ray diffraction | A, B | ADP, MG | — |
| 5KHW | Crystal structure of JAK1 in complex with ADP | x-ray diffraction | A, B | ADP, MG | — |
| 5KHX | Crystal structure of JAK1 in complex with PF-4950736 | x-ray diffraction | A | 6TE | 1 (best 0.65) |
| 5KHX | Crystal structure of JAK1 in complex with pf-4950736 | x-ray diffraction | A | 6TE | — |
| 5L04 | Structure of interferon lambda 1 receptor with human kinase JAK1 | x-ray diffraction | A | — | — |
| 5L04 | Structure of interferon lambda 1 receptor with human kinase JAK1 | x-ray diffraction | A | — | — |
| 5WO4 | JAK1 complexed with compound 28 | x-ray diffraction | A, B | B7V | — |
| 6AAH | Crystal structure of JAK1 in complex with peficitinib | x-ray diffraction | A, B | 9T6 | — |
| 6BBU | Crystal structure of JAK1 in complex with compound 25 | x-ray diffraction | A | D7D | — |
| 6C7Y | Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain | x-ray diffraction | A | ADP, MG | — |
| 6DBN | JAK1 with compound 23 | x-ray diffraction | A | G4J | — |
| 6ELR | Human jak1 kinase domain in complex with compound 7 | x-ray diffraction | A, B | BFK, NA | 5 (best 0.70) |
| 6ELR | Human JAK1 kinase domain in complex with compound 7 | x-ray diffraction | A, B | BFK, NA | — |
| 6GGH | Human JAK1 kinase domain in complex with inhibitor | x-ray diffraction | A, B | EYQ | — |
| 6HZU | Human JAK1 in complex with LASW1393 | x-ray diffraction | A, B | GYQ | — |
| 6N77 | Structure of the human JAK1 kinase domain with compound 15 | x-ray diffraction | A, B | KEJ | — |
| 6N78 | Structure of the human JAK1 kinase domain with compound 21 | x-ray diffraction | A | KEP | — |
| 6N78 | Structure of the human JAK1 kinase domain with compound 21 | x-ray diffraction | A | KEP | — |
| 6N79 | Structure of the human JAK1 kinase domain with compound 20 | x-ray diffraction | A | KES | — |
| 6N7A | Structure of the human JAK1 kinase domain with compound 39 | x-ray diffraction | A, B | KEV | — |
| 6N7B | Structure of the human JAK1 kinase domain with compound 38 | x-ray diffraction | A | KEY | — |
| 6N7C | Structure of the human JAK1 kinase domain with compound 56 | x-ray diffraction | A, B | KF1 | — |
| 6N7C | Structure of the human JAK1 kinase domain with compound 56 | x-ray diffraction | A, B | KF1 | — |
| 6N7D | Structure of the human JAK1 kinase domain with compound 54 | x-ray diffraction | A | KF4 | — |
13 records more on the page itself.
Ligands
- ADP · Adenosine-5'-diphosphate · in 3 records
- MG · Magnesium ion · in 3 records
- NA · Sodium ion · in 3 records
- 6TE · ~{N}-[3-[methyl(7~{h}-pyrrolo[2,3-d]pyrimidin-4-yl) amino]cyclobutyl]methanesulfonamide · in 2 records
- BFK · [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol · in 2 records
- KEP · N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide · in 2 records
- KF1 · N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide · in 2 records
- KGZ · 1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[[4-(cyclohexen-1-yl)phenyl]methyl]-3-fluoranyl-piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide · in 2 records
- 5JG · 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine · in 1 record
- 9T6 · 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2, 3-b]pyridine-5-carboxamide · in 1 record
- A1H5R · ~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine · in 1 record
- B7V · 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide · in 1 record
- D7D · N-{cis-3-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl) amino]cyclobutyl}propane-1-sulfonamide · in 1 record
- EYQ · ~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide · in 1 record
- G4J · [(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 · in 1 record
- GYQ · 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile · in 1 record
- KEJ · N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide · in 1 record
- KES · N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide · in 1 record
- KEV · N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide · in 1 record
- KEY · N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide · in 1 record
- KF4 · N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide · in 1 record
- KH5 · 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide · in 1 record
- KH8 · 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl) methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino) pyrazole-4-carboxamide · in 1 record
- KHE · 1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide · in 1 record
- KHH · Methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate · in 1 record
- LKQ · ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide · in 1 record
- LKT · 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile · in 1 record
- NTQ · (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl) cyclohexyl]cyclopropane-1-carboxamide · in 1 record
- NTW · 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile · in 1 record
- R4S · N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide · in 1 record
Elsewhere
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