Tyrosine-protein kinase JAK2
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 31–516 | Not recorded | No other associated polymer | 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 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 31–516 | Not recorded | No other associated polymer | 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 |
| 3 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain C； UniProt 31–516 | Not recorded | No other associated polymer | 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 |
| 4 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain D； UniProt 31–516 | Not recorded | No other associated polymer | 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 |
| 5 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain E； UniProt 31–516 | Not recorded | No other associated polymer | 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 |
| 6 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain F； UniProt 31–516 | Not recorded | No other associated polymer | 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 |
| 7 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain G； UniProt 31–516 | Not recorded | No other associated polymer | 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 |
| 8 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain H； UniProt 31–516 | Not recorded | No other associated polymer | 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 |
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 4Z32 | 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 mutation/modification 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 mutation/modification 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 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
|
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 mutation/modification 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
839–1131（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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
839–1131（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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
839–1131（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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
842–1132（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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
842–1132（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 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）
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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
842–1132（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 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：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 |
| 3LPB Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor Deposited 2010-02-05 | 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
840–1132（293 aa）
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 |
| 3LPB Crystal structure of Jak2 complexed with a potent 2,8-diaryl-quinoxaline inhibitor Deposited 2010-02-05 | 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
840–1132（293 aa）
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 |
| 3Q32 Structure of Janus kinase 2 with a pyrrolotriazine inhibitor Deposited 2010-12-21 | 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 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 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 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 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：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 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
|
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 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
|
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 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
|
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 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
|
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 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
|
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 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
|
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 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
|
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 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
|
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 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
|
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 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）
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 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）
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 mutation/modification 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 mutation/modification 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 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）
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 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）
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 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）
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 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）
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 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）
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 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）
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 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）
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 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）
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 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）
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 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）
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 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）
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 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：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 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：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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
842–1132（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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
842–1132（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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
842–1132（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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
842–1132（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 |
| 4ZIM CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR Deposited 2015-04-28 | 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：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 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：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 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
|
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 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：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 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：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 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：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 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：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 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：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 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：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 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：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 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：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 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
|
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 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：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 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）
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 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 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）
|
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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 mutation/modification 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 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：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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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）
|
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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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）
|
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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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）
|
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 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）
|
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 mutation/modification 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 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）
|
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 mutation/modification 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 mutation/modification 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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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 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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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 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 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）
|
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 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 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 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
842–1132（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 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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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）
|
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 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 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 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 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 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 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 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 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 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 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 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 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 mutation/modification Different oligomeric state 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 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 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 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 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 244 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 2–487； UniProt 31–516 Author chain B； PDBConstruct 2–487； UniProt 31–516 Author chain C； PDBConstruct 2–487； UniProt 31–516 Author chain D； PDBConstruct 2–487； UniProt 31–516 Author chain E； PDBConstruct 2–487； UniProt 31–516 Author chain F； PDBConstruct 2–487； UniProt 31–516 Author chain G； PDBConstruct 2–487； UniProt 31–516 Author chain H； PDBConstruct 2–487； UniProt 31–516 |
