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3lpb

Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor

Method: X-RAY DIFFRACTION Dmax: 105.4 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Tyrosine-protein kinase JAK2

Homo sapiens

UniProt O60674

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 840–1132 Fragment：Kinase domain Non-standard monomer：Yes (specific site not provided by mmCIF) NVB N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；30% PEG4000, 0.1M AMMONIUM SULFATE, 0.1M NA CITRATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.00 Å R-free 0.207
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain B； UniProt 840–1132 Fragment：Kinase domain Non-standard monomer：Yes (specific site not provided by mmCIF) NVB N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.2；298 K；30% PEG4000, 0.1M AMMONIUM SULFATE, 0.1M NA CITRATE, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.00 Å R-free 0.207

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 3LPB Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
10PJ JAK2 kinase (JH1 domain) in complex with povorcitinib Deposited 2026-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 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 1.59 Å R-free 0.231
10PJ JAK2 kinase (JH1 domain) in complex with povorcitinib Deposited 2026-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 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 1.59 Å R-free 0.231
2B7A The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor Deposited 2005-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa） Fragment：catalytic domain
Mutation：N1129Q Non-standard monomer：Yes (specific site not provided by mmCIF) IZA 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；28% PEG 8000, 0.2M ammonium acetate, 0.1M citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.249
2B7A The structural basis of Janus Kinase 2 inhibition by a potent and specific pan-Janus kinase inhibitor Deposited 2005-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa） Fragment：catalytic domain
Mutation：N1129Q Non-standard monomer：Yes (specific site not provided by mmCIF) IZA 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；28% PEG 8000, 0.2M ammonium acetate, 0.1M citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.249
2W1I Structure determination of Aurora Kinase in complex with inhibitor Deposited 2008-10-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) L0I 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å R-free 0.295
2W1I Structure determination of Aurora Kinase in complex with inhibitor Deposited 2008-10-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
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 2.60 Å R-free 0.295
2XA4 Inhibitors of Jak2 Kinase domain Deposited 2010-03-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN RESIDUES 835-1132
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) AZ5 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；HANGING DROP 20 DEG C. 1.5UL PROTEIN PLUS 1UL WELL PROTEIN: 8.7MG/ML IN 20MM TRIS/HCL PH 8.5, 100MM NACL, 1MM DTT WELL: 28% W/V PEG3350, 200MM AMMONIUM ACETATE, 100MM SODIUM CITRATE PH 6.0
Resolution 2.04 Å R-free 0.245
2XA4 Inhibitors of Jak2 Kinase domain Deposited 2010-03-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 835–1132（298 aa） Fragment：KINASE DOMAIN RESIDUES 835-1132
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) AZ5 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；HANGING DROP 20 DEG C. 1.5UL PROTEIN PLUS 1UL WELL PROTEIN: 8.7MG/ML IN 20MM TRIS/HCL PH 8.5, 100MM NACL, 1MM DTT WELL: 28% W/V PEG3350, 200MM AMMONIUM ACETATE, 100MM SODIUM CITRATE PH 6.0
Resolution 2.04 Å R-free 0.245
3E62 Fragment based discovery of JAK-2 inhibitors Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1131（293 aa） Fragment：CATALYTIC DOMAIN (UNP residues 839 to 1131)
Non-standard monomer：Yes (specific site not provided by mmCIF) 5B1 5-bromo-1H-indazol-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.7；292 K；28-32% PEG 4000, 100 mM SODIUM CITRATE pH 6.5-6.8, 200mM AMMONIUM ACETATE, pH 6.7, VAPOR DIFFUSION, temperature 292K
Resolution 1.92 Å R-free 0.218
3E63 Fragment based discovery of JAK-2 inhibitors Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1131（293 aa） Fragment：CATALYTIC DOMAIN (UNP residues 839 to 1131)
Non-standard monomer：Yes (specific site not provided by mmCIF) 5B2 5-phenyl-1H-indazol-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.7；292 K；28-32% PEG 4000, 100 mM SODIUM CITRATE pH 6.5-6.8, 200mM AMMONIUM ACETATE, pH 6.7, VAPOR DIFFUSION, temperature 292K
Resolution 1.90 Å R-free 0.263
3E64 Fragment based discovery of JAK-2 inhibitors Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1131（293 aa） Fragment：CATALYTIC DOMAIN (UNP residues 839 to 1131)
Non-standard monomer：Yes (specific site not provided by mmCIF) 5B3 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.7；292 K；28-32% PEG 4000, 100 mM SODIUM CITRATE pH 6.5-6.8, 200mM AMMONIUM ACETATE, pH 6.7, VAPOR DIFFUSION, temperature 292K
Resolution 1.80 Å R-free 0.220
3FUP Crystal structures of JAK1 and JAK2 inhibitor complexes Deposited 2009-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa） Fragment：catalytic domain
Mutation：N1129Q Non-standard monomer：Yes (specific site not provided by mmCIF) MI1 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；280 K；18% PEG 8000, 100 mM Cacodylate, pH 6.5/6.7, 100 mM magnesium acetate, 100 mM KCl , VAPOR DIFFUSION, HANGING DROP, temperature 280K
Resolution 2.40 Å R-free 0.250
3FUP Crystal structures of JAK1 and JAK2 inhibitor complexes Deposited 2009-01-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa） Fragment：catalytic domain
Mutation：N1129Q Non-standard monomer：Yes (specific site not provided by mmCIF) MI1 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；280 K；18% PEG 8000, 100 mM Cacodylate, pH 6.5/6.7, 100 mM magnesium acetate, 100 mM KCl , VAPOR DIFFUSION, HANGING DROP, temperature 280K
Resolution 2.40 Å R-free 0.250
3IO7 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 Deposited 2009-08-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1132（291 aa） Fragment：Jak kinase domain(UNP residue 842-1132)
Non-standard monomer：Yes (specific site not provided by mmCIF) 1P5 (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；2.1 - 1.5 D-L malic acid, pH no buffer added, VAPOR DIFFUSION, temperature 298K
Resolution 2.60 Å R-free 0.294
3IOK 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 Deposited 2009-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1132（291 aa） Fragment：jak2 kinase domain (UNP residues 842-1132)
Non-standard monomer：Yes (specific site not provided by mmCIF) 1P6 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；2.1 - 1.5 D-L malic acid, vapor diffusion, temperature 298K
Resolution 2.10 Å R-free 0.270
3JY9 Janus Kinase 2 Inhibitors Deposited 2009-09-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1130（289 aa） Fragment：UNP residue 842-1130, Protein kinase 2 domain
Non-standard monomer：Yes (specific site not provided by mmCIF) JZH (3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；298 K；2.1 - 1.5 D-L malic acid, pH 7.0, VAPOR DIFFUSION, temperature 298K
Resolution 2.10 Å R-free 0.271
3KCK A Novel Chemotype of Kinase Inhibitors Deposited 2009-10-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1132（291 aa） Fragment：jak2 kinase domain
Non-standard monomer：Yes (specific site not provided by mmCIF) 3KC 3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；298 K；2.1 - 1.5 D-L malic acid, pH 7, vapor diffusion, temperature 298K
Resolution 2.20 Å R-free 0.296
3KRR Crystal Structure of JAK2 complexed with a potent quinoxaline ATP site inhibitor Deposited 2009-11-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa） Fragment：kinase domain
Non-standard monomer：Yes (specific site not provided by mmCIF) DQX 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.2M NA CITRATE, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.206
3Q32 Structure of Janus kinase 2 with a pyrrolotriazine inhibitor Deposited 2010-12-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：protein kinase 2 domain (UNP residues 839-1132)
Non-standard monomer：Yes (specific site not provided by mmCIF) J2I 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；35% PEG3350, 0.1 M sodium chloride, 0.1 M MES, pH 6.5
Resolution 2.50 Å R-free 0.210
3Q32 Structure of Janus kinase 2 with a pyrrolotriazine inhibitor Deposited 2010-12-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 839–1132（294 aa） Fragment：protein kinase 2 domain (UNP residues 839-1132)
Non-standard monomer：Yes (specific site not provided by mmCIF) J2I 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；35% PEG3350, 0.1 M sodium chloride, 0.1 M MES, pH 6.5
Resolution 2.50 Å R-free 0.210
3RVG Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor Deposited 2011-05-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：UNP residues 835-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 17P 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES pH 7.5, 100mM Ammonium Sulfate, 33.5% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.300
3TJC Co-crystal structure of jak2 with thienopyridine 8 Deposited 2011-08-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：UNP residues 837-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 0TP 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.5 or 1.0 M LiCl, 22.5-35% PEG6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.275
3TJC Co-crystal structure of jak2 with thienopyridine 8 Deposited 2011-08-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 837–1132（296 aa） Fragment：UNP residues 837-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 0TP 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.5 or 1.0 M LiCl, 22.5-35% PEG6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.275
3TJD co-crystal structure of Jak2 with thienopyridine 19 Deposited 2011-08-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：UNP residues 837-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 6TP 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.5M or 1.0 M LiCl, 22.5-35% PEG6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.312
3TJD co-crystal structure of Jak2 with thienopyridine 19 Deposited 2011-08-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 837–1132（296 aa） Fragment：UNP residues 837-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 6TP 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.5M or 1.0 M LiCl, 22.5-35% PEG6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.312
3UGC Structural basis of Jak2 inhibition by the type II inhibtor NVP-BBT594 Deposited 2011-11-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa） Fragment：unp residues 840-1132
Mutation：Y1007F, Y1008F 046 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide × 1 MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.8M SODIUM MALONATE PH 6.0, 0.1M GLYCINE-PH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.34 Å R-free 0.189
3ZMM Inhibitors of Jak2 Kinase domain Deposited 2013-02-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) F9J 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE × 1 ACE ACETYL GROUP × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.4；pH 7.4
Resolution 2.51 Å R-free 0.246
3ZMM Inhibitors of Jak2 Kinase domain Deposited 2013-02-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) F9J 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE × 1 ACE ACETYL GROUP × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.4；pH 7.4
Resolution 2.51 Å R-free 0.246
4AQC Triazolopyridine-based Inhibitor of Janus Kinase 2 Deposited 2012-04-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 88A 8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；32% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M BIS-TRIS, PH 6.8, HANGING DROP VAPOUR DIFFUSION
Resolution 1.90 Å R-free 0.217
4AQC Triazolopyridine-based Inhibitor of Janus Kinase 2 Deposited 2012-04-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 88A 8-(4-methylsulfonylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；32% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M BIS-TRIS, PH 6.8, HANGING DROP VAPOUR DIFFUSION
Resolution 1.90 Å R-free 0.217
4BBE Aminoalkylpyrimidine Inhibitor Complexes with JAK2 Deposited 2012-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：PROTEIN TYROSINE KINASE DOMAIN, RESIDUES 839-1132
Mutation：YES 3O4 N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 1.90 Å R-free 0.359
4BBE Aminoalkylpyrimidine Inhibitor Complexes with JAK2 Deposited 2012-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 839–1132（294 aa） Fragment：PROTEIN TYROSINE KINASE DOMAIN, RESIDUES 839-1132
Mutation：YES 3O4 N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 1.90 Å R-free 0.359
4BBE Aminoalkylpyrimidine Inhibitor Complexes with JAK2 Deposited 2012-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 839–1132（294 aa） Fragment：PROTEIN TYROSINE KINASE DOMAIN, RESIDUES 839-1132
Mutation：YES 3O4 N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 1.90 Å R-free 0.359
4BBE Aminoalkylpyrimidine Inhibitor Complexes with JAK2 Deposited 2012-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 839–1132（294 aa） Fragment：PROTEIN TYROSINE KINASE DOMAIN, RESIDUES 839-1132
Mutation：YES 3O4 N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 1.90 Å R-free 0.359
4BBF Aminoalkylpyrimidine Inhibitor Complexes with JAK2 Deposited 2012-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：PROTEIN TYROSINE KINASE DOMAIN, RESIDUES 839-1132
Mutation：YES O19 (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 2.00 Å R-free 0.289
4BBF Aminoalkylpyrimidine Inhibitor Complexes with JAK2 Deposited 2012-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 839–1132（294 aa） Fragment：PROTEIN TYROSINE KINASE DOMAIN, RESIDUES 839-1132
Mutation：YES O19 (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 2.00 Å R-free 0.289
4BBF Aminoalkylpyrimidine Inhibitor Complexes with JAK2 Deposited 2012-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 839–1132（294 aa） Fragment：PROTEIN TYROSINE KINASE DOMAIN, RESIDUES 839-1132
Mutation：YES O19 (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 2.00 Å R-free 0.289
4BBF Aminoalkylpyrimidine Inhibitor Complexes with JAK2 Deposited 2012-09-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 839–1132（294 aa） Fragment：PROTEIN TYROSINE KINASE DOMAIN, RESIDUES 839-1132
Mutation：YES O19 (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 2.00 Å R-free 0.289
4C61 Inhibitors of Jak2 Kinase domain Deposited 2013-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN RESIDUES 835-1132
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) LMM N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 2.45 Å R-free 0.217
4C61 Inhibitors of Jak2 Kinase domain Deposited 2013-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 835–1132（298 aa） Fragment：KINASE DOMAIN RESIDUES 835-1132
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) LMM N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 2.45 Å R-free 0.217
4C62 Inhibitors of Jak2 Kinase domain Deposited 2013-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN RESIDUES 835-1132
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) XWW N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 2.75 Å R-free 0.246
4C62 Inhibitors of Jak2 Kinase domain Deposited 2013-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 835–1132（298 aa） Fragment：KINASE DOMAIN RESIDUES 835-1132
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) XWW N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；pH 7
Resolution 2.75 Å R-free 0.246
4D0W Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors Deposited 2014-04-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 1 VVQ 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；1.5-2.2 M SODIUM MALONATE PH 7 VAPOUR DIFFUSION TECHNIQUE 293 K
Resolution 1.77 Å R-free 0.215
4D0X Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors Deposited 2014-04-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 953 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；293 K；1.5-2.2 M SODIUM MALONATE PH 7 VAPOUR DIFFUSION 293 K
Resolution 1.82 Å R-free 0.219
4D1S Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors Deposited 2014-05-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) BJG 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；1.5-2.2 M SODIUM MALONATE PH 7, VAPOUR DIFFUSION 293 K
Resolution 1.66 Å R-free 0.231
4E4M JAK2 kinase (JH1 domain) in complex with compound 30 Deposited 2012-03-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：protein kinase domain JH1, UNP residues 833-1132
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 6；300 K；ammonium acetate, sodium citrate, PEG 8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Resolution 2.25 Å R-free 0.250
4E4M JAK2 kinase (JH1 domain) in complex with compound 30 Deposited 2012-03-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 833–1132（300 aa） Fragment：protein kinase domain JH1, UNP residues 833-1132
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 6；300 K；ammonium acetate, sodium citrate, PEG 8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Resolution 2.25 Å R-free 0.250
4E4M JAK2 kinase (JH1 domain) in complex with compound 30 Deposited 2012-03-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 833–1132（300 aa） Fragment：protein kinase domain JH1, UNP residues 833-1132
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 6；300 K；ammonium acetate, sodium citrate, PEG 8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Resolution 2.25 Å R-free 0.250
4E4M JAK2 kinase (JH1 domain) in complex with compound 30 Deposited 2012-03-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 833–1132（300 aa） Fragment：protein kinase domain JH1, UNP residues 833-1132
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 6；300 K；ammonium acetate, sodium citrate, PEG 8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Resolution 2.25 Å R-free 0.250
4E6D JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 Deposited 2012-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：kinase domain, UNP residues 835-1132
Mutation：Q853R, Y931F, D939E Non-standard monomer：Yes (specific site not provided by mmCIF) 0NU 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.025 M Bicine pH 8.5, 0.25 M NaCl, 20% glycerol, vapor diffusion, hanging drop, temperature 277K
Resolution 2.22 Å R-free 0.203
4E6D JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 Deposited 2012-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 835–1132（298 aa） Fragment：kinase domain, UNP residues 835-1132
Mutation：Q853R, Y931F, D939E Non-standard monomer：Yes (specific site not provided by mmCIF) 0NU 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.025 M Bicine pH 8.5, 0.25 M NaCl, 20% glycerol, vapor diffusion, hanging drop, temperature 277K
Resolution 2.22 Å R-free 0.203
4E6Q JAK2 kinase (JH1 domain) triple mutant in complex with compound 12 Deposited 2012-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：kinase domain, UNP residues 835-1132
Mutation：Q853R, Y931F, D939E Non-standard monomer：Yes (specific site not provided by mmCIF) 0NV 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.025 M Bicine pH 8.5, 0.25 M NaCl, 20% glycerol, vapor diffusion, hanging drop, temperature 277K
Resolution 1.95 Å R-free 0.234
4E6Q JAK2 kinase (JH1 domain) triple mutant in complex with compound 12 Deposited 2012-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 835–1132（298 aa） Fragment：kinase domain, UNP residues 835-1132
Mutation：Q853R, Y931F, D939E Non-standard monomer：Yes (specific site not provided by mmCIF) 0NV 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.025 M Bicine pH 8.5, 0.25 M NaCl, 20% glycerol, vapor diffusion, hanging drop, temperature 277K
Resolution 1.95 Å R-free 0.234
4F08 Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2 Deposited 2012-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 1RS 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.2 M ammonium acetate, 0.1M sodium citrate pH6, 25% PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.82 Å R-free 0.241
4F08 Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2 Deposited 2012-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 833–1132（300 aa） Fragment：UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 1RS 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.2 M ammonium acetate, 0.1M sodium citrate pH6, 25% PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.82 Å R-free 0.241
4F09 Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2 Deposited 2012-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：UNP residues 833-1132
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 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；277 K；0.2 M ammonium acetate, 0.1M sodium citrate pH6, 20 % PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.254
4FVP Crystal structure of the Jak2 pseudokinase domain (apo form) Deposited 2012-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：Jak2 pseudokinase domain, UNP residues 536-812
Mutation：W659A, W777A, F794H GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；100 mM Tris/HCl, PEG 4000, pH 8.0, vapor diffusion, hanging drop, temperature 277K
Resolution 2.01 Å R-free 0.212
4FVQ Crystal structure of the Jak2 pseudokinase domain (Mg-ATP-bound form) Deposited 2012-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：Jak2 pseudokinase domain, UNP residues 536-812
Mutation：W659A, W777A, F794H ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris/HCl, PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.75 Å R-free 0.199
4FVR Crystal structure of the Jak2 pseudokinase domain mutant V617F (Mg-ATP-bound form) Deposited 2012-06-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：Jak2 pseudokinase domain, UNP residues 536-812
Mutation：V617F, W777A, F794H ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris/HCl, PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.229
4GFM JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE Deposited 2012-08-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：JH1 domain, UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 0X2 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；300 K；ammonium acetate, sodium citrate, PEG8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Resolution 2.30 Å R-free 0.242
4GMY JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE Deposited 2012-08-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：JH1 domain, UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 0X5 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；300 K；0.1 M Na Citrate pH 6, 0.2 M NH4OAc, PEG 8K, vapor diffusion, hanging drop, temperature 300K
Resolution 2.40 Å R-free 0.233
4HGE JAK2 kinase (JH1 domain) in complex with compound 8 Deposited 2012-10-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：JH1 domain, UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 15V N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；300 K；ammonium sulfate, sodium citrate, PEG 8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Resolution 2.30 Å R-free 0.227
4HGE JAK2 kinase (JH1 domain) in complex with compound 8 Deposited 2012-10-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 833–1132（300 aa） Fragment：JH1 domain, UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 15V N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；300 K；ammonium sulfate, sodium citrate, PEG 8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Resolution 2.30 Å R-free 0.227
4IVA JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE Deposited 2013-01-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：UNP residues 833-1132
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 6；300 K；AMMONIUM SULFATE, SODIUM CITRATE, PEG 8000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 300K
Resolution 1.50 Å R-free 0.193
4JI9 JAK2 kinase (JH1 domain) in complex with TG101209 Deposited 2013-03-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：JH1 domain, UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 1M3 N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；300 K；ammonium acetate, PEG8000, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 2.40 Å R-free 0.245
4JI9 JAK2 kinase (JH1 domain) in complex with TG101209 Deposited 2013-03-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 833–1132（300 aa） Fragment：JH1 domain, UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 1M3 N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；300 K；ammonium acetate, PEG8000, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 2.40 Å R-free 0.245
4JIA JAK2 kinase (JH1 domain) in complex with compound 9 Deposited 2013-03-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：JH1 domain, UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 1K3 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；300 K；ammonium acetate, PEG 8000, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.85 Å R-free 0.202
4P7E Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 Deposited 2014-03-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa） Fragment：Residues 840-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 2HB N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20% PEG 6000, 100 mM MES pH6, 0.2M LiCl
Resolution 2.40 Å R-free 0.267
4P7E Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 Deposited 2014-03-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa） Fragment：Residues 840-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 2HB N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20% PEG 6000, 100 mM MES pH6, 0.2M LiCl
Resolution 2.40 Å R-free 0.267
4YTC Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease Deposited 2015-03-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1132（291 aa） Fragment：UNP residues 842-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 4HW N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.7-2.1M dl-malic acid, pH 7.0, 2mM DTT
Resolution 2.16 Å R-free 0.213
4YTF Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases Deposited 2015-03-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1132（291 aa） Fragment：UNP residues 842-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 4HZ N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.7-2.1 M DL-malic acid pH 7.0, 2mM DTT
Resolution 1.78 Å R-free 0.213
4YTH Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases Deposited 2015-03-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1132（291 aa） Fragment：UNP residues 842-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 467 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.7-2.1 DL -malic acid pH 7.0, 2mM DTT
Resolution 2.04 Å R-free 0.215
4YTI Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Disease Deposited 2015-03-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1132（291 aa） Fragment：UNP residues 842-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) VJK (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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.7-2.1 DL-malic acid pH 7.0, 2mM DTT
Resolution 2.52 Å R-free 0.217
4Z32 Crystal Structure of the FERM-SH2 Domains of Jak2 Deposited 2015-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 31–516（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Na Citrate, 11-13% PEG 3350, 1.05% 1-butanol, 5 mM TCEP
Resolution 3.04 Å R-free 0.276
4Z32 Crystal Structure of the FERM-SH2 Domains of Jak2 Deposited 2015-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 31–516（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Na Citrate, 11-13% PEG 3350, 1.05% 1-butanol, 5 mM TCEP
Resolution 3.04 Å R-free 0.276
4Z32 Crystal Structure of the FERM-SH2 Domains of Jak2 Deposited 2015-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 31–516（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Na Citrate, 11-13% PEG 3350, 1.05% 1-butanol, 5 mM TCEP
Resolution 3.04 Å R-free 0.276
4Z32 Crystal Structure of the FERM-SH2 Domains of Jak2 Deposited 2015-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 31–516（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Na Citrate, 11-13% PEG 3350, 1.05% 1-butanol, 5 mM TCEP
Resolution 3.04 Å R-free 0.276
4Z32 Crystal Structure of the FERM-SH2 Domains of Jak2 Deposited 2015-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 31–516（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Na Citrate, 11-13% PEG 3350, 1.05% 1-butanol, 5 mM TCEP
Resolution 3.04 Å R-free 0.276
4Z32 Crystal Structure of the FERM-SH2 Domains of Jak2 Deposited 2015-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 31–516（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Na Citrate, 11-13% PEG 3350, 1.05% 1-butanol, 5 mM TCEP
Resolution 3.04 Å R-free 0.276
4Z32 Crystal Structure of the FERM-SH2 Domains of Jak2 Deposited 2015-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 31–516（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Na Citrate, 11-13% PEG 3350, 1.05% 1-butanol, 5 mM TCEP
Resolution 3.04 Å R-free 0.276
4Z32 Crystal Structure of the FERM-SH2 Domains of Jak2 Deposited 2015-03-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 31–516（486 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Na Citrate, 11-13% PEG 3350, 1.05% 1-butanol, 5 mM TCEP
Resolution 3.04 Å R-free 0.276
4ZIM CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR Deposited 2015-04-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP residues 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 4OK 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100mM MES buffer, 100mM NaCl, 28% (w/v) PEG3350, 2mM DTT and 200mM tri-sodium citrate
Resolution 2.65 Å R-free 0.274
4ZIM CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR Deposited 2015-04-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP residues 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 4OK 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100mM MES buffer, 100mM NaCl, 28% (w/v) PEG3350, 2mM DTT and 200mM tri-sodium citrate
Resolution 2.65 Å R-free 0.274
5AEP Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders Deposited 2015-01-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa） Fragment：KINASE DOMAIN, RESIDUES 835-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) QUP 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.5-2.2 M SODIUM MALONATE PH 7, HANGING DROP AT 20 DEGREES CELSIUS
Resolution 1.95 Å R-free 0.213
5CF4 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE Deposited 2015-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 50Y N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100MM MES BUFFER, 100MM NACL, 28% (w/v) PEG3350, 2MM DTT AND 200MM TRI-SODIUM CITRATE
Resolution 2.38 Å R-free 0.253
5CF4 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE Deposited 2015-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 50Y N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100MM MES BUFFER, 100MM NACL, 28% (w/v) PEG3350, 2MM DTT AND 200MM TRI-SODIUM CITRATE
Resolution 2.38 Å R-free 0.253
5CF5 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE Deposited 2015-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 50W N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100MM MES BUFFER, 100MM NACL, 28% (W/V) PEG3350, 2MM DTT AND 200MM TRI-SODIUM CITRATE
Resolution 2.45 Å R-free 0.199
5CF5 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-7-[(DIMETHYL-1,3-THIAZOL-2-YL)AMINO]-10-ETHYL-3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.02,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE Deposited 2015-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 50W N,N-dicyclopropyl-4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100MM MES BUFFER, 100MM NACL, 28% (W/V) PEG3350, 2MM DTT AND 200MM TRI-SODIUM CITRATE
Resolution 2.45 Å R-free 0.199
5CF6 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE Deposited 2015-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 50O N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100MM MES BUFFER, 100MM NACL, 28% (W/V) PEG3350, 2MM DTT AND 200MM TRI-SODIUM CITRATE
Resolution 2.50 Å R-free 0.214
5CF6 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-[(2S)-2,3-DIHYDROXYPROPYL]-3-METHYL-7-(METHYLAMINO)-3,5,8,10-TETRAAZATRICYCLO [7.3.0.02,6]DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE Deposited 2015-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 50O N,N-dicyclopropyl-6-[(2S)-2,3-dihydroxypropyl]-1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100MM MES BUFFER, 100MM NACL, 28% (W/V) PEG3350, 2MM DTT AND 200MM TRI-SODIUM CITRATE
Resolution 2.50 Å R-free 0.214
5CF8 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE Deposited 2015-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 50V N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100MM MES BUFFER, 100MM NACL, 28% (w/v) PEG3350, 2MM DTT, AND 200MM TRI-SODIUM CITRATE
Resolution 1.80 Å R-free 0.204
5CF8 CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE Deposited 2015-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 839–1132（294 aa） Fragment：CATALYTIC DOMAIN, UNP RESIDUES 839-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 50V N,N-dicyclopropyl-4-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-ethyl-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；100MM MES BUFFER, 100MM NACL, 28% (w/v) PEG3350, 2MM DTT, AND 200MM TRI-SODIUM CITRATE
Resolution 1.80 Å R-free 0.204
5HEZ JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 Deposited 2016-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa）
Mutation：P1057A Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 ZN ZINC ION × 1 1M3 N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.9 M sodium malonate, 10 mM ZnCl2
Resolution 2.66 Å R-free 0.238
5HEZ JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 Deposited 2016-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 833–1132（300 aa）
Mutation：P1057A Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 ZN ZINC ION × 1 1M3 N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.9 M sodium malonate, 10 mM ZnCl2
Resolution 2.66 Å R-free 0.238
5HEZ JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 Deposited 2016-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 833–1132（300 aa）
Mutation：P1057A Non-standard monomer：Yes (specific site not provided by mmCIF) 1M3 N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.9 M sodium malonate, 10 mM ZnCl2
Resolution 2.66 Å R-free 0.238
5HEZ JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 Deposited 2016-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 833–1132（300 aa）
Mutation：P1057A Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 1M3 N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.9 M sodium malonate, 10 mM ZnCl2
Resolution 2.66 Å R-free 0.238
5HEZ JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 Deposited 2016-01-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 833–1132（300 aa）
Chain B 833–1132（300 aa）
Chain C 833–1132（300 aa）
Chain D 833–1132（300 aa）
Mutation：P1057A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：P1057A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：P1057A Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：P1057A Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 6 ZN ZINC ION × 4 1M3 N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide × 16 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.9 M sodium malonate, 10 mM ZnCl2
Resolution 2.66 Å R-free 0.238
5I4N Crystal Structure of the E596A V617F Mutant JAK2 Pseudokinase Domain Bound to Mg-ATP Deposited 2016-02-12 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 535–812（278 aa）
Mutation：E596A V617F W659A W777A F794H ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M TRIS, 0.2M SODIUM ACETATE, 22% PEG 4000
Resolution 1.54 Å R-free 0.193
5L3A Fragment-based discovery of 6-arylindazole JAK inhibitors Deposited 2016-04-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Mutation：Y1007F, Y1008F 6DP ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；2.1M Na Malonate pH 6.0/6.5, 0.1M glycine pH 8.2
Resolution 1.98 Å R-free 0.277
5TQ3 Design and Synthesis of a pan-JAK kinase inhibitor clinical candidate (PF-06263276) suitable for the treatment of inflammatory diseases of the lungs and skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076S, I1126V Non-standard monomer：Yes (specific site not provided by mmCIF) 7GZ 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Hepes, pH 7.5, 0.1 M Sodium acetate, 30% PEG3350
Resolution 2.69 Å R-free 0.271
5TQ3 Design and Synthesis of a pan-JAK kinase inhibitor clinical candidate (PF-06263276) suitable for the treatment of inflammatory diseases of the lungs and skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076S, I1126V Non-standard monomer：Yes (specific site not provided by mmCIF) 7GZ 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-ethylphenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Hepes, pH 7.5, 0.1 M Sodium acetate, 30% PEG3350
Resolution 2.69 Å R-free 0.271
5TQ4 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) 7GY 6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Hepes, pH 7.5, 0.1 M sodium acetate, 30% PEG-3350
Resolution 2.30 Å R-free 0.279
5TQ5 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076T 7GX 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Hepes, pH 7.5, 0.1 M sodium acetate, 30% PEG-3350
Resolution 2.30 Å R-free 0.332
5TQ6 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) 7GV {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M Hepes, pH 7.5, 0.1 M sodium acetate, 30% PEG3350
Resolution 2.06 Å R-free 0.289
5TQ6 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) 7GV {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}(pyrrolidin-1-yl)methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M Hepes, pH 7.5, 0.1 M sodium acetate, 30% PEG3350
Resolution 2.06 Å R-free 0.289
5TQ7 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076T, I1126V Non-standard monomer：Yes (specific site not provided by mmCIF) 7GT {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3R)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M Hepes, pH 7.5, 100 mM sodium acetate, 30% PEG3350
Resolution 2.10 Å R-free 0.286
5TQ7 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076T, I1126V Non-standard monomer：Yes (specific site not provided by mmCIF) 7GT {(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3R)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M Hepes, pH 7.5, 100 mM sodium acetate, 30% PEG3350
Resolution 2.10 Å R-free 0.286
5TQ8 Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin Deposited 2016-10-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：UNP residues 837-1132
Mutation：M1073S, F1076T 7GS {2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-2H-indazol-3-yl]-3,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl}[5-(piperidin-1-yl)pyrazin-2-yl]methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；0.1 M Hepes, pH 7.5, 100 mM sodium acetate, 30% PEG-3350
Resolution 1.59 Å R-free 0.192
5USY JAK2 JH1 in complex with JNJ-7706621 Deposited 2017-02-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa） Fragment：UNP residues 840-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.1M Sodium citrate, pH 5.6 0.2 M Ammonium sulfate 30% PEG 4,000
Resolution 2.00 Å R-free 0.216
5USY JAK2 JH1 in complex with JNJ-7706621 Deposited 2017-02-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa） Fragment：UNP residues 840-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.1M Sodium citrate, pH 5.6 0.2 M Ammonium sulfate 30% PEG 4,000
Resolution 2.00 Å R-free 0.216
5USZ JAK2 JH2 in complex with JNJ-7706621 Deposited 2017-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 2.10 Å R-free 0.224
5UT0 JAK2 JH2 in complex with AT9283 Deposited 2017-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H GOL GLYCEROL × 2 35R 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea × 1 ACT ACETATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 2.10 Å R-free 0.226
5UT1 JAK2 JH2 in complex with BI-D1870 Deposited 2017-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H GOL GLYCEROL × 4 7DZ (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 1.95 Å R-free 0.202
5UT2 JAK2 JH2 in complex with PRT062607 Deposited 2017-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H GOL GLYCEROL × 2 3YT 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 1.75 Å R-free 0.201
5UT3 JAK2 JH2 in complex with IKK-2 Inhibitor VI Deposited 2017-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP resdiues 536-812
Mutation：W659A, W777A, F794H IK1 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE × 1 GOL GLYCEROL × 3 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 1.50 Å R-free 0.170
5UT4 JAK2 JH2 in complex with NVP-BSK805 Deposited 2017-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H DQX 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 2.00 Å R-free 0.220
5UT5 JAK2 JH2 in complex with GLPG0634 Deposited 2017-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H GOL GLYCEROL × 4 2HB N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide × 1 ACT ACETATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 1.90 Å R-free 0.201
5UT6 JAK2 JH2 in complex with a diaminopyrimidine Deposited 2017-02-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H 8MY 4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile × 1 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 1.65 Å R-free 0.206
5WEV Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model Deposited 2017-07-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 833–1132（300 aa） Fragment：UNP residues 833-1132
Non-standard monomer：Yes (specific site not provided by mmCIF) 9ZS N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；25-30% w/v PEG 8000 0.2M Ammonium Acetate 0.1M Na Citrate pH 6.0
Resolution 1.85 Å R-free 0.194
5WIJ JAK2 Pseudokinase in complex with NU6140 Deposited 2017-07-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H AQG 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；200 mM Sodium Acetate, 100 mM Tris-HCl, 18%-30%(w/v) polyethylene glycol 4000.
Resolution 2.04 Å R-free 0.231
5WIK JAK2 Pseudokinase in complex with BI-D1870 Deposited 2017-07-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H 584 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；200 mM Sodium Acetate, 100 mM Tris-HCl, 18%-30%(w/v) polyethylene glycol 4000
Resolution 2.60 Å R-free 0.251
5WIL JAK2 Pseudokinase in complex with AZD7762 Deposited 2017-07-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H YDJ 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；200 mM Sodium Acetate, 100 mM Tris-HCl, 18%-30%(w/v) polyethylene glycol 4000.
Resolution 2.20 Å R-free 0.231
5WIM JAK2 Pseudokinase in complex with AT9283 Deposited 2017-07-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H 35R 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；200 mM Sodium Acetate, 100 mM Tris-HCl, 18%-30%(w/v) polyethylene glycol 4000.
Resolution 2.55 Å R-free 0.258
5WIN JAK2 Pseudokinase in complex with JNJ7706621 Deposited 2017-07-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa） Fragment：UNP residues 536-812
Mutation：W659A, W777A, F794H SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；200 mM Sodium Acetate, 100 mM Tris-HCl, 18%-30%(w/v) polyethylene glycol 4000.
Resolution 2.38 Å R-free 0.244
6AAJ Crystal structure of JAK2 in complex with peficitinib Deposited 2018-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 834–1132（299 aa） Fragment：UNP residues 834-1132
Mutation：K943A, K945A 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50mM sodium citrate(pH6.5), 100mM ammonium phosphate, 20% PEG4000
Resolution 2.37 Å R-free 0.262
6AAJ Crystal structure of JAK2 in complex with peficitinib Deposited 2018-07-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 834–1132（299 aa） Fragment：UNP residues 834-1132
Mutation：K943A, K945A 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 × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；50mM sodium citrate(pH6.5), 100mM ammonium phosphate, 20% PEG4000
Resolution 2.37 Å R-free 0.262
6BBV Crystal Structure of JAK2 in complex with compound 25 Deposited 2017-10-19 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：Protein kinase 2, residues 837-1132
Not recorded 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；293 K；28% PEG-3350, 0.1 M sodium acetate, 0.1M Hepes, pH 7.5
Resolution 1.80 Å R-free 0.215
6BRW JAK2 JH2 in complex with XMU-MP-1 Deposited 2017-12-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H 5BS 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide × 1 GOL GLYCEROL × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 2.03 Å R-free 0.250
6BS0 JAK2 JH2 in complex with 63552444 Deposited 2017-12-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H E4V 4-(5-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 1.54 Å R-free 0.195
6BSS JAK2 JH2 in complex with NU6102 Deposited 2017-12-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H GOL GLYCEROL × 1 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 2.10 Å R-free 0.235
6DRW JAK2 JH1 in complex with JNJ-7706621 (Crystal Form 2) Deposited 2018-06-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；0.1M Glycyl-glycine pH 8.0 2.5 M Sodium Malonate pH 6.0
Resolution 2.30 Å R-free 0.255
6E2P Structure of human JAK2 FERM/SH2 in complex with Leptin Receptor Deposited 2018-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 36–514（479 aa） Fragment：FERM/SH2 (UNP residues 36-514)
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；0.1 M MES, pH 6.5, 0.2 M magnesium chloride, 5-10% PEG4000, 10% ethylene glycol
Resolution 2.83 Å R-free 0.243
6E2P Structure of human JAK2 FERM/SH2 in complex with Leptin Receptor Deposited 2018-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 36–514（479 aa） Fragment：FERM/SH2 (UNP residues 36-514)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；0.1 M MES, pH 6.5, 0.2 M magnesium chloride, 5-10% PEG4000, 10% ethylene glycol
Resolution 2.83 Å R-free 0.243
6E2Q Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor Deposited 2018-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 36–514（479 aa） Fragment：FERM/SH2 (UNP residues 36-514)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277.15 K；100 mM Tris, pH 7.6, 2-4% PEG8000
Resolution 2.65 Å R-free 0.263
6E2Q Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor Deposited 2018-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 36–514（479 aa） Fragment：FERM/SH2 (UNP residues 36-514)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277.15 K；100 mM Tris, pH 7.6, 2-4% PEG8000
Resolution 2.65 Å R-free 0.263
6E2Q Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor Deposited 2018-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 36–514（479 aa） Fragment：FERM/SH2 (UNP residues 36-514)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277.15 K；100 mM Tris, pH 7.6, 2-4% PEG8000
Resolution 2.65 Å R-free 0.263
6E2Q Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor Deposited 2018-07-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 36–514（479 aa） Fragment：FERM/SH2 (UNP residues 36-514)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277.15 K；100 mM Tris, pH 7.6, 2-4% PEG8000
Resolution 2.65 Å R-free 0.263
6M9H JAK2 JH2 in complex with diaminopyrimidine JAK040 Deposited 2018-08-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H J9D 4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000
Resolution 1.79 Å R-free 0.206
6OAV JAK2 JH2 in complex with JAK146 Deposited 2019-03-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H M3A 5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 1.94 Å R-free 0.236
6OBB JAK2 JH2 in complex with JAK170 Deposited 2019-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Not recorded M3Y 5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 1.90 Å R-free 0.225
6OBF JAK2 JH2 in complex with JAK179 Deposited 2019-03-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H GOL GLYCEROL × 1 M4G [4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 1.71 Å R-free 0.222
6OBL JAK2 JH2 in complex with JAK168 Deposited 2019-03-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H M4P [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 2.06 Å R-free 0.239
6OCC JAK2 JH2 in complex with JAK190 Deposited 2019-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H GOL GLYCEROL × 1 M57 2-[4-({5-amino-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenyl]-1,3-oxazole-4-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 2.03 Å R-free 0.272
6TPD Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity Deposited 2019-12-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1130（289 aa）
Mutation：Y1007F/Y1008F QZ8 3-methyl-4-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；2.1M Na Malonate pH 6.0/6.5, 0.1M glycine pH 8.2
Resolution 1.99 Å R-free 0.278
6VGL JAK2 JH1 in complex with ruxolitinib Deposited 2020-01-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 840–1132（293 aa） Fragment：JAK2 kinase domain (UNP residues 840-1132)
Non-standard monomer：Yes (specific site not provided by mmCIF) RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris, pH 5.5, 0.2 M sodium chloride, 25% PEG3350
Resolution 1.90 Å R-free 0.217
6VGL JAK2 JH1 in complex with ruxolitinib Deposited 2020-01-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa） Fragment：JAK2 kinase domain (UNP residues 840-1132)
Non-standard monomer：Yes (specific site not provided by mmCIF) RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris, pH 5.5, 0.2 M sodium chloride, 25% PEG3350
Resolution 1.90 Å R-free 0.217
6VGL JAK2 JH1 in complex with ruxolitinib Deposited 2020-01-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 840–1132（293 aa） Fragment：JAK2 kinase domain (UNP residues 840-1132)
Non-standard monomer：Yes (specific site not provided by mmCIF) RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris, pH 5.5, 0.2 M sodium chloride, 25% PEG3350
Resolution 1.90 Å R-free 0.217
6VGL JAK2 JH1 in complex with ruxolitinib Deposited 2020-01-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa） Fragment：JAK2 kinase domain (UNP residues 840-1132)
Non-standard monomer：Yes (specific site not provided by mmCIF) RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris, pH 5.5, 0.2 M sodium chloride, 25% PEG3350
Resolution 1.90 Å R-free 0.217
6VN8 JAK2 JH1 in complex with baricitinib Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 3JW Baricitinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 1.90 Å R-free 0.215
6VN8 JAK2 JH1 in complex with baricitinib Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 3JW Baricitinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 1.90 Å R-free 0.215
6VNB JAK2 JH1 in complex with BL2-084 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6P (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.19 Å R-free 0.261
6VNB JAK2 JH1 in complex with BL2-084 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6P (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.19 Å R-free 0.261
6VNC JAK2 JH1 in complex with BL2-096 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6V (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.30 Å R-free 0.269
6VNC JAK2 JH1 in complex with BL2-096 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6V (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.30 Å R-free 0.269
6VNE JAK2 JH1 in complex with Fedratinib Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 2TA N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.32 Å R-free 0.256
6VNE JAK2 JH1 in complex with Fedratinib Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 2TA N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.32 Å R-free 0.256
6VNF JAK2 JH1 in complex with MA9-086 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6S N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.06 Å R-free 0.222
6VNF JAK2 JH1 in complex with MA9-086 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6S N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.06 Å R-free 0.222
6VNG JAK2 JH1 in complex with PN2-118 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6M N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.50 Å R-free 0.251
6VNG JAK2 JH1 in complex with PN2-118 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6M N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.50 Å R-free 0.251
6VNH JAK2 JH1 in complex with PN2-123 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) XZS N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.40 Å R-free 0.267
6VNH JAK2 JH1 in complex with PN2-123 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) XZS N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.40 Å R-free 0.267
6VNI JAK2 JH1 in complex with PN3-115 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R61 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.10 Å R-free 0.257
6VNI JAK2 JH1 in complex with PN3-115 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R61 2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.10 Å R-free 0.257
6VNJ JAK2 JH1 in complex with PN4-014 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R5S 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 1.90 Å R-free 0.211
6VNJ JAK2 JH1 in complex with PN4-014 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R5S 3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 1.90 Å R-free 0.211
6VNK JAK2 JH1 in complex with PN4-073 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.00 Å R-free 0.244
6VNK JAK2 JH1 in complex with PN4-073 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.00 Å R-free 0.244
6VNK JAK2 JH1 in complex with PN4-073 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.00 Å R-free 0.244
6VNK JAK2 JH1 in complex with PN4-073 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.00 Å R-free 0.244
6VNL JAK2 JH1 in complex with SG3-179 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 5W2 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.40 Å R-free 0.257
6VNL JAK2 JH1 in complex with SG3-179 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 5W2 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.40 Å R-free 0.257
6VNL JAK2 JH1 in complex with SG3-179 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 5W2 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.40 Å R-free 0.257
6VNL JAK2 JH1 in complex with SG3-179 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 5W2 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.40 Å R-free 0.257
6VNM JAK2 JH1 in complex with SY5-103 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R5Y 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.20 Å R-free 0.238
6VNM JAK2 JH1 in complex with SY5-103 Deposited 2020-01-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R5Y 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.20 Å R-free 0.238
6VS3 JAK2 JH1 in complex with BL2-057 Deposited 2020-02-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6V (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.00 Å R-free 0.218
6VS3 JAK2 JH1 in complex with BL2-057 Deposited 2020-02-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R6V (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.00 Å R-free 0.218
6VSN JAK2 JH1 in complex with BL2-110 Deposited 2020-02-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RG4 (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.50 Å R-free 0.252
6VSN JAK2 JH1 in complex with BL2-110 Deposited 2020-02-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RG4 (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.50 Å R-free 0.252
6VSN JAK2 JH1 in complex with BL2-110 Deposited 2020-02-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RG4 (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.50 Å R-free 0.252
6VSN JAK2 JH1 in complex with BL2-110 Deposited 2020-02-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) RG4 (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% PEG 3350
Resolution 2.50 Å R-free 0.252
6WTN Human JAK2 JH1 domain in complex with Ruxolitinib Deposited 2020-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 3 RXT (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；1.6-2.4 M sodium malonate, pH 5
Resolution 1.83 Å R-free 0.208
6WTO Human JAK2 JH1 domain in complex with Baricitinib Deposited 2020-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 2 3JW Baricitinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；1.6-2.4 M sodium malonate, pH 5
Resolution 1.74 Å R-free 0.218
6WTP Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 Deposited 2020-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) U8P tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；0.1 M SODIUM CITRATE PH 6.0, 27% PEG 8000 AND 0.2 M AMMONIUM ACETATE. REMARK 280 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
Resolution 2.50 Å R-free 0.288
6WTQ Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 Deposited 2020-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 835–1132（298 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) U8J N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；0.1 M SODIUM CITRATE PH 6.5, 27% PEG 8000 AND 0.2 M AMMONIUM ACETATE. REMARK 280 6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
Resolution 1.80 Å R-free 0.213
6X8E Crystal structure of JAK2 with Compound 11 Deposited 2020-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa） Fragment：kinase domain
Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) UWP [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.1 M sodium acetate trihydrate, and 30-35% PEG-3350
Resolution 1.75 Å R-free 0.225
6X8E Crystal structure of JAK2 with Compound 11 Deposited 2020-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 837–1132（296 aa） Fragment：kinase domain
Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) UWP [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；298 K；0.1 M HEPES pH 7.5, 0.1 M sodium acetate trihydrate, and 30-35% PEG-3350
Resolution 1.75 Å R-free 0.225
6XJK JAK2 JH2 in complex with JAK067 Deposited 2020-06-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H V4D 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 2.02 Å R-free 0.273
7F7W JAK2-JH2 Deposited 2021-06-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–810（275 aa） Fragment：pseudokinase domain
Not recorded 36H 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1M Tris, pH 8.0 0.2M Sodium acetate, 12-20% PEG 4000
Resolution 1.83 Å R-free 0.238
7F7W JAK2-JH2 Deposited 2021-06-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 536–810（275 aa） Fragment：pseudokinase domain
Not recorded 36H 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1M Tris, pH 8.0 0.2M Sodium acetate, 12-20% PEG 4000
Resolution 1.83 Å R-free 0.238
7JYO JAK2 JH2 in complex with JAK064 Deposited 2020-08-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H VPS 3-({4-amino-6-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}oxy)benzoic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 2.16 Å R-free 0.246
7JYQ JAK2 JH2 in complex with JAK020 Deposited 2020-08-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H GOL GLYCEROL × 1 VPJ N~2~-(4-fluorophenyl)-6-{[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 1.86 Å R-free 0.221
7LL4 High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-114. Deposited 2021-02-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Y5D {1-(ethylsulfonyl)-3-[4-(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.8M Sodium Malonate pH 6.0
Resolution 1.31 Å R-free 0.194
7LL5 High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150. Deposited 2021-02-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 1 Y5G {1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.8M Sodium Malonate pH 6.0
Resolution 1.50 Å R-free 0.221
7Q7I JAK2 in complex with 4-{8-methoxy-2-[(1-methyl-1H-pyrazol-4-yl)amino]quinazolin-6-yl}phenol Deposited 2021-11-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 9I8 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.46-1.60 M trisodium citrate (untitrated)
Resolution 1.78 Å R-free 0.222
7Q7K JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol Deposited 2021-11-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 9I5 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.46-1.60 M trisodium citrate (untitrated)
Resolution 1.61 Å R-free 0.204
7Q7L JAK2 in complex with 4-(2-amino-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol Deposited 2021-11-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 9I2 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.46-1.60 M trisodium citrate (untitrated)
Resolution 1.97 Å R-free 0.196
7Q7W JAK2 in complex with 4-(2-{[5-(dimethylamino)pentyl]amino}-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol Deposited 2021-11-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 9HR 4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.46-1.60 M trisodium citrate (untitrated)
Resolution 1.85 Å R-free 0.227
7REE High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059 Deposited 2021-07-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa） Fragment：Protein kinase 2 domain residues 839-1130
Non-standard monomer：Yes (specific site not provided by mmCIF) 4LY [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；1.8M Sodium Malonate pH 6.5
Resolution 1.38 Å R-free 0.205
7RN6 High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II inhibitor BBT594 Deposited 2021-07-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 839–1132（294 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 046 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；1.8M Sodium Malonate pH 6.5
Resolution 1.50 Å R-free 0.214
7SZW JAK2 JH2 in complex with JAK249 Deposited 2021-11-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H DVY 4-(4-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}phenyl)pyridine-2-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277.15 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 1.91 Å R-free 0.226
7T0P JAK2 JH2 IN COMPLEX WITH JAK315 Deposited 2021-11-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Not recorded E3W 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 2.04 Å R-free 0.247
7T0P JAK2 JH2 IN COMPLEX WITH JAK315 Deposited 2021-11-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 536–812（277 aa）
Not recorded E3W 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 2.04 Å R-free 0.247
7T1T JAK2 JH2 IN COMPLEX WITH JAK292 Deposited 2021-12-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Not recorded E8I (2S)-2-[({4-[(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}carbamoyl)amino]-4-phenylbutanoic acid × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.1M TRIS, PH 8.0 0.2M SODIUM ACETATE, 0.001 M TCEP, 12-24% PEG 4,000
Resolution 2.08 Å R-free 0.228
7TEU Crystal structure of JAK2 JH1 with type II inhibitor YLIU-04-105-1 Deposited 2022-01-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 837–1132（296 aa）
Mutation：Y1007F, Y1008F I6C 3-{(4S)-2-[(cyclopropanecarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}-4-methylbenzamide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；291 K；200 mM potassium phosphate monobasic, 21% (w/v) PEG 3350
Resolution 1.45 Å R-free 0.207
7UYW Crystal structure of JAK2 kinase domain in complex with compound 30 Deposited 2022-05-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 842–1132（291 aa） Fragment：KINASE DOMAIN
Non-standard monomer：Yes (specific site not provided by mmCIF) OV0 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；Crystals of human JAK2 in complex with the ligand were prepared according to established protocols
Resolution 2.51 Å R-free 0.260
8B8N Crystal structure of JAK2 JH2-V617F in complex with Cdk2 inhibitor IV Deposited 2022-10-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H, V617F GOL GLYCEROL × 3 AQG 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 20% PEG4000, 0.2M Na-acetate
Resolution 2.00 Å R-free 0.255
8B8U Crystal structure of JAK2 JH2-V617F in complex with HTS-A3 Deposited 2022-10-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H, V617F GOL GLYCEROL × 2 T7I 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 15% PEG4000, 0.2M Na-acetate
Resolution 1.50 Å R-free 0.259
8B8U Crystal structure of JAK2 JH2-V617F in complex with HTS-A3 Deposited 2022-10-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 536–812（277 aa）
Mutation：W659A, W777A, F794H, V617F GOL GLYCEROL × 3 T7I 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 15% PEG4000, 0.2M Na-acetate
Resolution 1.50 Å R-free 0.259
8B99 Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 Deposited 2022-10-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W777A, F794H, V617F GOL GLYCEROL × 2 SKE 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 22% PEG4000, 0.2M Na-acetate
Resolution 1.60 Å R-free 0.211
8B9E Crystal structure of JAK2 JH2-V617F in complex with Z902-A3 Deposited 2022-10-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W777A, F794H, V617F GOL GLYCEROL × 2 Q7F 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 20% PEG4000, 0.2M Na-acetate
Resolution 1.50 Å R-free 0.194
8B9H Crystal structure of JAK2 JH2 in complex with Z902-A3 Deposited 2022-10-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H Q7F 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine × 1 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 20% PEG4000, 0.2M Na-acetate
Resolution 1.50 Å R-free 0.208
8BA2 Crystal structure of JAK2 JH2-V617F in complex with Z902-A1 Deposited 2022-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H, V617F GOL GLYCEROL × 5 ACT ACETATE ION × 2 Q9X 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 17% PEG4000, 0.2M Na-acetate
Resolution 1.50 Å R-free 0.204
8BA3 Crystal structure of JAK2 JH2 in complex with Bemcentinib Deposited 2022-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H Q8U 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine × 1 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 16% PEG4000, 0.2M Na-acetate
Resolution 1.40 Å R-free 0.197
8BA4 Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib Deposited 2022-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H, V617F Q8U 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 20% PEG4000, 0.2M Na-acetate
Resolution 2.10 Å R-free 0.274
8BA4 Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib Deposited 2022-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 536–812（277 aa）
Mutation：W659A, W777A, F794H, V617F No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 20% PEG4000, 0.2M Na-acetate
Resolution 2.10 Å R-free 0.274
8BAB Crystal structure of JAK2 JH2-V617F in complex with CB76 Deposited 2022-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W777A, F794H, V617F GOL GLYCEROL × 7 Q8N 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 20% PEG4000, 0.2M Na-acetate
Resolution 1.55 Å R-free 0.203
8BAK Crystal structure of JAK2 JH2-V617F in complex with Reversine Deposited 2022-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W777A, F794H, V617F GOL GLYCEROL × 5 AD5 N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1M Tris pH 8, 20% PEG4000, 0.2M Na-acetate
Resolution 1.65 Å R-free 0.207
8BM2 Crystal structure of JAK2 JH1 in complex with gandotinib Deposited 2022-11-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) QQC 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；1.7 M Na-malonate, 0.1 M Gly-Gly pH 8.2
Resolution 1.50 Å R-free 0.202
8BM2 Crystal structure of JAK2 JH1 in complex with gandotinib Deposited 2022-11-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) QQC 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；1.7 M Na-malonate, 0.1 M Gly-Gly pH 8.2
Resolution 1.50 Å R-free 0.202
8BPV Crystal structure of JAK2 JH1 in complex with pacritinib Deposited 2022-11-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 6T3 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；1.6 M Na-malonate, 0.1 M Gly-Gly pH 8.2
Resolution 1.70 Å R-free 0.198
8BPW Crystal structure of JAK2 JH1 in complex with lestaurtinib Deposited 2022-11-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 2V9 Lestaurtinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；2 M Na-malonate, 0.1 M Gly-Gly pH 8.2
Resolution 1.80 Å R-free 0.197
8BPW Crystal structure of JAK2 JH1 in complex with lestaurtinib Deposited 2022-11-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 2V9 Lestaurtinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；2 M Na-malonate, 0.1 M Gly-Gly pH 8.2
Resolution 1.80 Å R-free 0.197
8BX6 Crystal structure of JAK2 JH1 in complex with cerdulatinib Deposited 2022-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S5I Cerdulatinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；0.1 M Gly-Gly pH 8.2, 1.6 M Na-malonate
Resolution 1.50 Å R-free 0.202
8BX9 Crystal structure of JAK2 JH1 in complex with ilginatinib Deposited 2022-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S59 Ilginatinib × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；0.1 M Gly-Gly pH 8.2, 1.6 M Na-malonate
Resolution 1.40 Å R-free 0.223
8BX9 Crystal structure of JAK2 JH1 in complex with ilginatinib Deposited 2022-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S59 Ilginatinib × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；0.1 M Gly-Gly pH 8.2, 1.6 M Na-malonate
Resolution 1.40 Å R-free 0.223
8BXC Crystal structure of JAK2 JH1 in complex with itacitinib Deposited 2022-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S4R Itacitinib × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；0.1 M Gly-Gly pH 8.2, 2 M Na-malonate
Resolution 1.90 Å R-free 0.212
8BXC Crystal structure of JAK2 JH1 in complex with itacitinib Deposited 2022-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) S4R Itacitinib × 1 MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；0.1 M Gly-Gly pH 8.2, 2 M Na-malonate
Resolution 1.90 Å R-free 0.212
8BXH Crystal structure of JAK2 JH1 in complex with momelotinib Deposited 2022-12-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 840–1132（293 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) C87 Momelotinib × 1 MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；0.1 M Gly-Gly pH 8.2, 2.1 M Na-malonate
Resolution 1.30 Å R-free 0.168
8C08 Crystal structure of JAK2 JH2-K539L Deposited 2022-12-16 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 536–812（277 aa）
Chain B 536–812（277 aa）
Mutation：W659A, W777A, F794H, K539L Mutation：W659A, W777A, F794H, K539L ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1 M Tris pH 8.0, 20% PEG4000, 0.1 M Mg-acetate, 1 mM ATP, 3 mM MgCl2.
Resolution 2.20 Å R-free 0.259
8C09 Crystal structure of JAK2 JH2-I559F Deposited 2022-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H, I559F No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.1 M Tris pH 8.5, 26% PEG4000, 0.2 M Na-acetate
Resolution 1.90 Å R-free 0.257
8C0A Crystal structure of JAK2 JH2-R683S Deposited 2022-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H, R683S GOL GLYCEROL × 1 T7I 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1 M Tris pH 8.0, 21% PEG4000, 0.1M Na-acetate
Resolution 1.70 Å R-free 0.237
8C0A Crystal structure of JAK2 JH2-R683S Deposited 2022-12-16 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 536–812（277 aa）
Mutation：W659A, W777A, F794H, R683S GOL GLYCEROL × 1 T7I 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；0.1 M Tris pH 8.0, 21% PEG4000, 0.1M Na-acetate
Resolution 1.70 Å R-free 0.237
8EX0 Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV Deposited 2022-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H AQG 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；277 K；CHES, PEG 3000
Resolution 1.85 Å R-free 0.228
8EX1 Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine Deposited 2022-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H AD5 N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；HEPES, PEG 3350
Resolution 1.50 Å R-free 0.191
8EX2 Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3 Deposited 2022-10-24 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Mutation：W659A, W777A, F794H Q2Q 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；HEPES, PEG 10K
Resolution 1.90 Å R-free 0.203
8EXK Crystal structure of PTP1B D181A/Q262A phosphatase domain with JAK2 activation loop phosphopeptide Deposited 2022-10-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1000–1015（16 aa） Fragment：residues 1000-1015 of JAK2
Not recorded PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281.15 K；14% PEG 8K, 0.10 M Mg Acetate, 0.1 M MES (pH 6.5)
Resolution 2.10 Å R-free 0.250
8EYA Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a JAK2 activation loop phosphopeptide Deposited 2022-10-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1000–1015（16 aa） Fragment：residues 1000-1015 of JAK2
Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 3 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281.15 K；25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)
Resolution 2.10 Å R-free 0.260
8EYA Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a JAK2 activation loop phosphopeptide Deposited 2022-10-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1000–1015（16 aa） Fragment：residues 1000-1015 of JAK2
Non-standard monomer：Yes (specific site not provided by mmCIF) EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281.15 K；25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)
Resolution 2.10 Å R-free 0.260
8EYB Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with JAK2 activation loop phosphopeptide Deposited 2022-10-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1000–1015（16 aa） Fragment：residues 1000-1015 of JAK2
Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)
Resolution 2.35 Å R-free 0.243
8EYB Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with JAK2 activation loop phosphopeptide Deposited 2022-10-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1000–1015（16 aa） Fragment：residues 1000-1015 of JAK2
Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)
Resolution 2.35 Å R-free 0.243
8F88 Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide Deposited 2022-11-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1000–1015（16 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281 K；25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)
Resolution 3.10 Å R-free 0.291
8F88 Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide Deposited 2022-11-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 1000–1015（16 aa）
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；281 K；25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)
Resolution 3.10 Å R-free 0.291
8F88 Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide Deposited 2022-11-21 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1000–1015（16 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281 K；25% w/v PEG 3350, 0.2 M NaCl, 0.1 M Tris Cl (pH 8.5)
Resolution 3.10 Å R-free 0.291
8G6Z JAK2 crystal structure in complex with Compound 13 Deposited 2023-02-16 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 837–1132（296 aa）
Chain B 837–1132（296 aa）
Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) YSI (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, ammonium acetate, HEPES
Resolution 2.45 Å R-free 0.281
8G8O The crystal structure of JAK2 in complex with Compound 31 Deposited 2023-02-18 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 837–1132（296 aa）
Chain B 837–1132（296 aa）
Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) YT0 [1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}-3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetonitrile × 2 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, ammonium acetate, HEPES
Resolution 2.20 Å R-free 0.231
8G8X X-ray co-crystal structure of compound 27 in with complex JAK2 Deposited 2023-02-20 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 837–1132（296 aa）
Chain B 837–1132（296 aa）
Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：M1073S, F1076T Non-standard monomer：Yes (specific site not provided by mmCIF) YT8 3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350, ammonium acetate, HEPES
Resolution 1.97 Å R-free 0.236
9ND3 JAK2 pseudokinase domain in complex with diaminotriazole inhibitor Deposited 2025-02-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–812（277 aa）
Not recorded A1BW6 N-[(1r,4r)-4-{3-[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]-2,4-difluorophenyl}cyclohexyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200 mM Sodium Acetate, 100 mM Tris-HCl, 20%(w/v) polyethylene glycol 4000
Resolution 1.62 Å R-free 0.220
9ND5 JAK2 pseudokinase domain in complex with diaminotriazole covalent inhibitor Deposited 2025-02-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 536–809（274 aa）
Not recorded A1BXA 4-{[5-amino-1-(3-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}benzoyl)-1H-1,2,4-triazol-3-yl]amino}benzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；200 mM Sodium Acetate, 100 mM Tris-HCl, 20% polyethylene glycol 4000
Resolution 2.40 Å R-free 0.278

161 other PDB entries and 250 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name JAK2_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 3–295； UniProt 840–1132 Author chain B； PDBConstruct 3–295； UniProt 840–1132

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

SAXS profile for 3lpb

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3lpb
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3lpb
Deposition date deposition_date2010-02-05
Structure title titleCrystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor
Keywords keywords;Small molecule inhibitor, ATP site kinase inhibitor, Novartis product NVP-BLU040, ATP-binding, Chromosomal rearrangement, Disease mutation, Kinase, Membrane, Nucleotide-binding, Phosphoprotein, Polymorphism, Proto-oncogene, SH2 domain, Transferase, Tyrosine-protein kinase ;; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier29.98 Å
Radius of gyration Rg (electron density) rg_electron29.70 Å
Forward intensity I(0) i068396000.00
Molecular weight molecular_weight65679.0 kDa
Excluded volume excluded_volume82405 ų
Envelope volume envelope_volume102410 ų
Hydration-shell volume shell_volume30148 ų
Envelope diameter envelope_diameter109.4 Å
Shell Rg shell_rg34.86 Å
Envelope Rg envelope_rg30.09 Å
Shape Rg shape_rg29.71 Å
Total Rg total_rg30.16 Å
Total atoms total_atoms4622
Residues n_residues562
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax105.4 Å
Rg (real space) rg_real30.19 Å
Rg uncertainty (real space) rg_real_error1.12 Å
I(0) (real space) i0_real6.8400e+07
I(0) uncertainty (real space) i0_real_error1.1460e+06
Rg (reciprocal space) rg_reciprocal30.10 Å
I(0) (reciprocal space) i0_reciprocal68390000.0000
Solution quality estimate total_estimate0.8405
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.8 Å
Skewness Skewness skewness0.527
Kurtosis Kurtosis kurtosis-0.250
Angular range angular_range— – 0.2650 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha21360000.0000
Real-space data points n_real_points54
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.717; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.809; Smooth: 0.963
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd3lpba_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.0 — automated matches
Domain ID domain_idd3lpbb1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.0 — automated matches
Domain ID domain_idd3lpbb2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (4 domains)

Domain ID domain_id3lpbA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id3lpbA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id3lpbB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id3lpbB02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
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8. Citations (1)

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9. Files and Curves (10)