6c7y

Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain

Method: X-RAY DIFFRACTION D_max: 80.2 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Tyrosine-protein kinase JAK1

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 869–1153	Fragment：kinase domain (UNP residues 869-1153) Non-standard monomer：Yes (specific site not provided by mmCIF)	Suppressor of cytokine signaling 1 × 1 （B6RCQ2） ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；281 K；100mM HEPES pH 7.0, 14% (w/v) PEG8000, 100mM magnesium acetate, 2mM TCEP	Resolution 2.50 Å R-free 0.241

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 6C7Y	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
10PI JAK1 kinase (JH1 domain) in complex with povorcitinib Deposited 2026-01-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 866–1154（289 aa） Fragment：JH1 domain	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.54 Å R-free 0.212
10PI JAK1 kinase (JH1 domain) in complex with povorcitinib Deposited 2026-01-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 866–1154（289 aa） Fragment：JH1 domain	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.54 Å R-free 0.212
4E4L JAK1 kinase (JH1 domain) in complex with compound 30 Deposited 2012-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：protein kinase domain JH1, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	0NH 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES pH 5.5 30% PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.00 Å R-free 0.228
4E4L JAK1 kinase (JH1 domain) in complex with compound 30 Deposited 2012-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：protein kinase domain JH1, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	0NH 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES pH 5.5 30% PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.00 Å R-free 0.228
4E4L JAK1 kinase (JH1 domain) in complex with compound 30 Deposited 2012-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 854–1154（301 aa） Fragment：protein kinase domain JH1, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES pH 5.5 30% PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.00 Å R-free 0.228
4E4L JAK1 kinase (JH1 domain) in complex with compound 30 Deposited 2012-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 854–1154（301 aa） Fragment：protein kinase domain JH1, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	0NH 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES pH 5.5 30% PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.00 Å R-free 0.228
4E4N JAK1 kinase (JH1 domain) in complex with compound 49 Deposited 2012-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：protein kinase domain JH1, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	0NL tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；PEG 6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.90 Å R-free 0.226
4E4N JAK1 kinase (JH1 domain) in complex with compound 49 Deposited 2012-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：protein kinase domain JH1, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	0NL tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；PEG 6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.90 Å R-free 0.226
4E5W JAK1 kinase (JH1 domain) in complex with compound 26 Deposited 2012-03-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 854–1154（301 aa） Fragment：kinase domain, UNP residues 854-1154 Chain B 854–1154（301 aa） Fragment：kinase domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	0NT [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone × 2 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES 25% PEG 6K, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.86 Å R-free 0.210
4EHZ The Jak1 kinase domain in complex with inhibitor Deposited 2012-04-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：kinase domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	JAK 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1 EDO 1,2-ETHANEDIOL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.17 Å R-free 0.229
4EHZ The Jak1 kinase domain in complex with inhibitor Deposited 2012-04-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：kinase domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	JAK 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.17 Å R-free 0.229
4EHZ The Jak1 kinase domain in complex with inhibitor Deposited 2012-04-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 854–1154（301 aa） Fragment：kinase domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	JAK 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.17 Å R-free 0.229
4EHZ The Jak1 kinase domain in complex with inhibitor Deposited 2012-04-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 854–1154（301 aa） Fragment：kinase domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	JAK 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.17 Å R-free 0.229
4EI4 JAK1 kinase (JH1 domain) in complex with compound 20 Deposited 2012-04-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：JH1 (kinase) domain (unp residues 854-1154)	Non-standard monomer：Yes (specific site not provided by mmCIF)	0Q2 (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；PEG 6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.22 Å R-free 0.239
4EI4 JAK1 kinase (JH1 domain) in complex with compound 20 Deposited 2012-04-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：JH1 (kinase) domain (unp residues 854-1154)	Non-standard monomer：Yes (specific site not provided by mmCIF)	0Q2 (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；PEG 6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.22 Å R-free 0.239
4FK6 JAK1 kinase (JH1 domain) in complex with compound 72 Deposited 2012-06-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：JH1 (kinase) domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	0UJ N-({1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES/PEG6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.20 Å R-free 0.251
4FK6 JAK1 kinase (JH1 domain) in complex with compound 72 Deposited 2012-06-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：JH1 (kinase) domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	0UJ N-({1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES/PEG6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.20 Å R-free 0.251
4GS0 Crystal structure of SHP1 catalytic domain with JAK1 activation loop peptide Deposited 2012-08-27	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1033–1036（4 aa） Fragment：JAK1 activation loop phophomimetic (UNP Residues 1032-1037)	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.2 M calcium acetate, 13% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.80 Å R-free 0.195
4I5C The Jak1 kinase domain in complex with inhibitor Deposited 2012-11-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：Protein kinase 2 domain residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	C5I 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.10 Å R-free 0.245
4I5C The Jak1 kinase domain in complex with inhibitor Deposited 2012-11-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：Protein kinase 2 domain residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	C5I 3-oxo-3-[(3R)-3-(pyrrolo[2,3-b][1,2,3]triazolo[4,5-d]pyridin-1(6H)-yl)piperidin-1-yl]propanenitrile × 1 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.10 Å R-free 0.245
4IVB JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE Deposited 2013-01-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	1J5 trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES/PEG6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.90 Å R-free 0.221
4IVB JAK1 kinase (JH1 domain) in complex with the inhibitor TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXANECARBONITRILE Deposited 2013-01-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	1J5 trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES/PEG6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.90 Å R-free 0.221
4IVC JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE Deposited 2013-01-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	1J6 (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES/PEG6000 , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.35 Å R-free 0.263
4IVC JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE Deposited 2013-01-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	1J6 (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES/PEG6000 , pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.35 Å R-free 0.263
4IVD JAK1 kinase (JH1 domain) in complex with compound 34 Deposited 2013-01-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	15T 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES/PEG6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.93 Å R-free 0.247
4IVD JAK1 kinase (JH1 domain) in complex with compound 34 Deposited 2013-01-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	15T 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；MES/PEG6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.93 Å R-free 0.247
4K6Z The Jak1 kinase domain in complex with compound 37 Deposited 2013-04-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：Jak1 kinase domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	1Q3 (1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.73 Å R-free 0.297
4K77 JAK1 kinase (JH1 domain) in complex with compound 6 Deposited 2013-04-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：JH1 domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	1Q4 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；PEG 6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.40 Å R-free 0.251
4K77 JAK1 kinase (JH1 domain) in complex with compound 6 Deposited 2013-04-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：JH1 domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	1Q4 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；300 K；PEG 6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 2.40 Å R-free 0.251
4L00 Crystal structure of the apo Jak1 pseudokinase domain Deposited 2013-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 561–860（300 aa） Fragment：pseudokinase domain (UNP residues 561-860)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP	Resolution 1.80 Å R-free 0.203
4L00 Crystal structure of the apo Jak1 pseudokinase domain Deposited 2013-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 561–860（300 aa） Fragment：pseudokinase domain (UNP residues 561-860)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP	Resolution 1.80 Å R-free 0.203
4L00 Crystal structure of the apo Jak1 pseudokinase domain Deposited 2013-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 561–860（300 aa） Fragment：pseudokinase domain (UNP residues 561-860) Chain B 561–860（300 aa） Fragment：pseudokinase domain (UNP residues 561-860)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP	Resolution 1.80 Å R-free 0.203
4L01 Crystal structure of the V658F apo Jak1 pseudokinase domain Deposited 2013-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 561–860（300 aa） Fragment：pseudokinase domain (UNP residues 561-860)	Mutation：V658F	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP	Resolution 1.90 Å R-free 0.233
4L01 Crystal structure of the V658F apo Jak1 pseudokinase domain Deposited 2013-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 561–860（300 aa） Fragment：pseudokinase domain (UNP residues 561-860)	Mutation：V658F	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP	Resolution 1.90 Å R-free 0.233
4L01 Crystal structure of the V658F apo Jak1 pseudokinase domain Deposited 2013-05-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 561–860（300 aa） Fragment：pseudokinase domain (UNP residues 561-860) Chain B 561–860（300 aa） Fragment：pseudokinase domain (UNP residues 561-860)	Mutation：V658F Mutation：V658F	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP	Resolution 1.90 Å R-free 0.233
5E1E Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution Deposited 2015-09-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 865–1154（290 aa） Fragment：Protein kinase 2 domain residues 865-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	PEG DI(HYDROXYETHYL)ETHER × 1 5JG 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT	Resolution 2.30 Å R-free 0.268
5E1E Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution Deposited 2015-09-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 865–1154（290 aa） Fragment：Protein kinase 2 domain residues 865-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	5JG 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT	Resolution 2.30 Å R-free 0.268
5HX8 Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one Deposited 2016-01-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：catalytic domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	66P 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；100mM MES pH 6.25, 33 % PEG 6000	Resolution 2.20 Å R-free 0.240
5HX8 Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one Deposited 2016-01-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：catalytic domain, UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	66P 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；100mM MES pH 6.25, 33 % PEG 6000	Resolution 2.20 Å R-free 0.240
5IXD Structure of human JAK1 FERM/SH2 in complex with IFN lambda receptor Deposited 2016-03-23	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 35–559（525 aa） Fragment：UNP residues 35-559	Not recorded	CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1-0.2 M Ammonium Citrate tribasic pH 7, 5-15% PEG 3350	Resolution 2.85 Å R-free 0.282
5IXI Structure of human JAK1 FERM/SH2 in complex with IFNLR1/IL10RA chimera Deposited 2016-03-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 35–559（525 aa） Fragment：UNP residues 35-559	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M MES pH6.5, 0.2M MgCl2, 9% PEG4K, 25% ethylene glycol	Resolution 2.57 Å R-free 0.255
5KHW Crystal structure of JAK1 in complex with ADP Deposited 2016-06-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 841–1154（314 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281 K；30% PEG1500, 8% MPD, 0.1M Tris pH 9.0	Resolution 2.47 Å R-free 0.231
5KHW Crystal structure of JAK1 in complex with ADP Deposited 2016-06-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 841–1154（314 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281 K；30% PEG1500, 8% MPD, 0.1M Tris pH 9.0	Resolution 2.47 Å R-free 0.231
5KHX Crystal structure of JAK1 in complex with PF-4950736 Deposited 2016-06-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 841–1154（314 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	6TE ~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281 K；30% PEG 1500, 8% MPD, 0.1 M Tris pH 9.0	Resolution 2.40 Å R-free 0.242
5L04 STRUCTURE OF INTERFERON LAMBDA 1 RECEPTOR WITH HUMAN KINASE JAK1 Deposited 2016-07-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 31–577（547 aa） Fragment：unp residues 31-577	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；7 mg/ml of protein in 50 mM Hepes buffer (pH 7.5) with 150 mM NaCl, mixesd with 1:1 ratio with 18% (w/v) PEG 3350, 0.2 M amonium formate	Resolution 2.10 Å R-free 0.230
5WO4 JAK1 complexed with compound 28 Deposited 2017-08-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	B7V 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES pH 6.0, 30% (w/v) PEG 6000	Resolution 1.84 Å R-free 0.211
5WO4 JAK1 complexed with compound 28 Deposited 2017-08-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：UNP residues 854-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	B7V 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES pH 6.0, 30% (w/v) PEG 6000	Resolution 1.84 Å R-free 0.211
6AAH Crystal structure of JAK1 in complex with peficitinib Deposited 2018-07-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 865–1154（290 aa） Fragment：UNP residues 865-1154 Chain B 865–1154（290 aa） Fragment：UNP residues 865-1154	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	9T6 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；buffer, salt, precipitant	Resolution 1.83 Å R-free 0.255
6BBU Crystal Structure of JAK1 in complex with compound 25 Deposited 2017-10-19	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 841–1154（314 aa） Fragment：Protein kinase 2, residues 841-1154	Non-standard monomer：Yes (specific site not provided by mmCIF)	D7D N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281 K；250mM NaCl, 5mM TCEP, 10 mM ATP, 10 mM MgCl2, 30% PEG1500, 8% MPD, 0.1M Tris pH 9.0	Resolution 2.08 Å R-free 0.213
6DBN Jak1 with compound 23 Deposited 2018-05-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 841–1154（314 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；0.1 M Tris pH 8.5, 6-9% MPD, 24-29% PEG-1500	Resolution 2.48 Å R-free 0.262
6ELR Human jak1 kinase domain in complex with compound 7 Deposited 2017-09-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	BFK [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；282 K；2mM ligand, 27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0, 5 mM DTT	Resolution 1.80 Å R-free 0.205
6ELR Human jak1 kinase domain in complex with compound 7 Deposited 2017-09-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	BFK [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；282 K；2mM ligand, 27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0, 5 mM DTT	Resolution 1.80 Å R-free 0.205
6GGH Human jak1 kinase domain in complex with inhibitor Deposited 2018-05-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 863–1154（292 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	EYQ ~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT	Resolution 1.70 Å R-free 0.262
6GGH Human jak1 kinase domain in complex with inhibitor Deposited 2018-05-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 863–1154（292 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	EYQ ~{N}-[5-methyl-4-[7-[[(2~{R})-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1~{H}-indol-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT	Resolution 1.70 Å R-free 0.262
6HZU HUMAN JAK1 IN COMPLEX WITH LASW1393 Deposited 2018-10-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	GYQ 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；277 K；30 % PEG6000_50 0.10 M MES pH 6.00	Resolution 2.20 Å R-free 0.265
6HZU HUMAN JAK1 IN COMPLEX WITH LASW1393 Deposited 2018-10-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	GYQ 2-[4-[8-oxidanylidene-2-[(~{E})-(2-oxidanylidenepyridin-3-ylidene)amino]-7~{H}-purin-9-yl]cyclohexyl]ethanenitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；277 K；30 % PEG6000_50 0.10 M MES pH 6.00	Resolution 2.20 Å R-free 0.265
6N77 Structure of the human JAK1 kinase domain with compound 15 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KEJ N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.64 Å R-free 0.282
6N77 Structure of the human JAK1 kinase domain with compound 15 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KEJ N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.64 Å R-free 0.282
6N78 Structure of the human JAK1 kinase domain with compound 21 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KEP N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.83 Å R-free 0.261
6N79 Structure of the human JAK1 kinase domain with compound 20 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KES N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 2.27 Å R-free 0.270
6N7A Structure of the human JAK1 kinase domain with compound 39 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 2 KEV N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.33 Å R-free 0.207
6N7A Structure of the human JAK1 kinase domain with compound 39 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GOL GLYCEROL × 1 KEV N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.33 Å R-free 0.207
6N7B Structure of the human JAK1 kinase domain with compound 38 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KEY N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.81 Å R-free 0.264
6N7C Structure of the human JAK1 kinase domain with compound 56 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KF1 N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.69 Å R-free 0.288
6N7C Structure of the human JAK1 kinase domain with compound 56 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KF1 N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.69 Å R-free 0.288
6N7D Structure of the human JAK1 kinase domain with compound 54 Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KF4 N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.78 Å R-free 0.234
6RSB Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class Deposited 2019-05-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 854–1154（301 aa） Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；277 K；0.1M MES, 25-35% PEG 6000	Resolution 1.80 Å R-free 0.354
6RSC Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class Deposited 2019-05-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 854–1154（301 aa） Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	KH5 1-[4-(cyanomethyl)-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.1 M MES pH5.6 25-30% PEG6000	Resolution 1.85 Å R-free 0.280
6RSD Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class Deposited 2019-05-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KH8 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；277 K；0.1M MES, 25-35% PEG6000	Resolution 1.76 Å R-free 0.238
6RSD Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class Deposited 2019-05-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	KH8 1-[4-(cyanomethyl)-1-[(3-oxidanyl-4-phenyl-phenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；277 K；0.1M MES, 25-35% PEG6000	Resolution 1.76 Å R-free 0.238
6RSE Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class Deposited 2019-05-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；277 K；0.1M MES. 25-35% PEG6000	Resolution 1.80 Å R-free 0.303
6RSE Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class Deposited 2019-05-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.6；277 K；0.1M MES. 25-35% PEG6000	Resolution 1.80 Å R-free 0.303
6RSH Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class Deposited 2019-05-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 854–1154（301 aa） Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	KHE 1-[(3~{R},4~{R})-4-(cyanomethyl)-3-fluoranyl-1-[(4-phenylphenyl)methyl]piperidin-4-yl]-3-(cyclopropylcarbonylamino)pyrazole-4-carboxamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.1M MES, 25-35% PEG600	Resolution 1.71 Å R-free 0.311
6SM8 Human jak1 kinase domain in complex with inhibitor Deposited 2019-08-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT	Resolution 1.85 Å R-free 0.241
6SM8 Human jak1 kinase domain in complex with inhibitor Deposited 2019-08-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT	Resolution 1.85 Å R-free 0.241
6SMB Human jak1 kinase domain in complex with inhibitor Deposited 2019-08-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT	Resolution 2.04 Å R-free 0.265
6SMB Human jak1 kinase domain in complex with inhibitor Deposited 2019-08-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT	Resolution 2.04 Å R-free 0.265
6TPE Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity Deposited 2019-12-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 864–1154（291 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	NTW 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；277 K；NULL	Resolution 2.87 Å R-free 0.298
6TPE Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity Deposited 2019-12-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 864–1154（291 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	NTW 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；277 K；NULL	Resolution 2.87 Å R-free 0.298
6TPF Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity Deposited 2019-12-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 864–1154（291 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；277 K；NULL	Resolution 2.31 Å R-free 0.327
6TPF Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity Deposited 2019-12-13	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 864–1154（291 aa） Fragment：KINASE DOMAIN	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；277 K；NULL	Resolution 2.31 Å R-free 0.327
6W8L Crystal structure of JAK1 kinase with compound 10 Deposited 2020-03-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 841–1154（314 aa） Fragment：kinase domain	Non-standard monomer：Yes (specific site not provided by mmCIF)	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 × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 8；298 K；0.1 M Tris pH 8.5, 6-9% MPD, 24-29% PEG-1500	Resolution 2.11 Å R-free 0.226
8EXJ Crystal structure of PTP1B D181A/Q262A phosphatase domain in complex with a JAK1 activation loop phosphopeptide Deposited 2022-10-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 1027–1042（16 aa） Fragment：residues 1027-1042 of JAK1	Not recorded	PO4 PHOSPHATE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281.15 K；12% Peg 4K, 0.1 M Calcium acetate, 0.05 M MES (pH 6.5)	Resolution 2.30 Å R-free 0.238
8S85 Crystal structure of JAK1 JH1 domain in complex with an inhibitor Deposited 2024-03-05	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	A1H5R ~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine × 1 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.75 Å R-free 0.250
8S85 Crystal structure of JAK1 JH1 domain in complex with an inhibitor Deposited 2024-03-05	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 854–1154（301 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	A1H5R ~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；295 K；0.1 M MES pH 5-6 and 25-35% PEG 6000	Resolution 1.75 Å R-free 0.250

49 other PDB entries and 85 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	JAK1_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–286； UniProt 869–1153

Suppressor of cytokine signaling 1

Gallus gallus

UniProt B6RCQ2

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 48–164	Fragment：UNP residues 48-164	Tyrosine-protein kinase JAK1 × 1 （P23458） ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 EDO 1,2-ETHANEDIOL × 3 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；281 K；100mM HEPES pH 7.0, 14% (w/v) PEG8000, 100mM magnesium acetate, 2mM TCEP	Resolution 2.50 Å R-free 0.241

Other States of the Same Protein in the Database

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence

UniProt name	B6RCQ2_CHICK
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–117； UniProt 48–164

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	6c7y
Deposition date deposition_date	2018-01-23
Structure title title	Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain
Keywords keywords	Kinase, Kinase Inhibitor, SIGNALING PROTEIN, TRANSFERASE-INHIBITOR complex; SIGNALING PROTEIN, TRANSFERASE/INHIBITOR
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	24.23 Å
Radius of gyration Rg (electron density) rg_electron	23.54 Å
Forward intensity I(0) i0	32938200.00
Molecular weight molecular_weight	43998.0 kDa
Excluded volume excluded_volume	54936 Å³
Envelope volume envelope_volume	66408 Å³
Hydration-shell volume shell_volume	24135 Å³
Envelope diameter envelope_diameter	82.1 Å
Shell Rg shell_rg	30.11 Å
Envelope Rg envelope_rg	23.96 Å
Shape Rg shape_rg	23.56 Å
Total Rg total_rg	24.25 Å
Total atoms total_atoms	3091
Residues n_residues	390
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	80.2 Å
Rg (real space) rg_real	24.29 Å
Rg uncertainty (real space) rg_real_error	0.59 Å
I(0) (real space) i0_real	3.2940e+07
I(0) uncertainty (real space) i0_real_error	4.2330e+05
Rg (reciprocal space) rg_reciprocal	24.28 Å
I(0) (reciprocal space) i0_reciprocal	32940000.0000
Solution quality estimate total_estimate	0.8787
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	25.1 Å
Skewness Skewness skewness	0.408
Kurtosis Kurtosis kurtosis	-0.377
Angular range angular_range	— – 0.3300 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	12410000.0000
Real-space data points n_real_points	65
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.842; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.946; Smooth: 0.947

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Description description	Tyrosine-protein kinase JAK1
Molecular weight formula_weight	32938.7 kDa
EC 编号 ec_number	2.7.10.2
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	3135

AHFEKRFLKRIRDLGEGHFGKVELCRYDPEGDNTGEQVAVKSLKPESGGNHIADLKKEIEILRNLYHENIVKYKGICTEDGGNGIKLIMEFLPSGSLKEYLPKNKNKINLKQQLKYAVQICKGMDYLGSRQYVHRDLAARNVLVESEHQVKIGDFGLTKAIETDKEYYTVKDDRDSPVFWYAPECLMQSKFYIASDVWSFGVTLHELLTYCDSDSSPMALFLKMIGPTHGQMTVTRLVNTLKEGKRLPCPPNCPDEVYQLMRKCWEFQPSNRTSFQNLIEGFEALL

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	Human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Spodoptera frugiperda

Entity 2 Entity 2 polymer

Description description	Suppressor of cytokine signaling 1
Molecular weight formula_weight	13163.0 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

STHFRTFRSQADFSSITRASSLLDACGFYWGPLTVSAAHEKLKSEPEGTFLIRDSTQKNCFFAISVKTATGPTSIRINFQTGRFSLDGSKETFDCLFKLLEHYLSSPRKVLVTPLRK

来源 Source

来源生物 organism	Gallus gallus
通用名 common_name	Chicken
NCBI Class编号 ncbi_taxonomy_id	9031
宿主生物 host_organism	Spodoptera frugiperda

Entity 3 Entity 3 non-polymer

Description description	ADENOSINE-5'-DIPHOSPHATE
Molecular weight formula_weight	427.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 6 Entity 6 non-polymer

Description description	ACETATE ION
Molecular weight formula_weight	59.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 7 Entity 7 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	35

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d6c7ya1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamily	d.144.1 — Protein kinase-like (PK-like)
Family Family family	d.144.1.0 — automated matches

Domain ID domain_id	d6c7ya2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (2 domains)

Domain ID domain_id	6c7yA01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily	20 — Phosphorylase Kinase; domain 1

Domain ID domain_id	6c7yA02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily	10 — Transferase(Phosphotransferase) domain 1

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8. Citations (1)

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Unit-cell length a length_a	83.926 Å
Unit-cell length b length_b	83.926 Å
Unit-cell length c length_c	161.438 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 41 21 2
Space-group number int_tables_number	92
Crystal system crystal_system	—

Resolution resolution	2.499 Å
Low-resolution limit resolution_low	40.613 Å
R factor r_factor	0.2100
R_work r_work	0.2067
R_free r_free	0.2414

fit	/app/data/saxs_computation/c7/6c7y/6c7y.fit
pddf	/app/data/pr_computation/c7/6c7y/6c7y.pr.out
profile	/app/data/saxs_computation/c7/6c7y/6c7y.dat

Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain

1. Protein Identity and Related Structures Protein Identity & Related Structures

Tyrosine-protein kinase JAK1

State in the Current Structure

Other States of the Same Protein in the Database

Suppressor of cytokine signaling 1

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 water

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)