Current Protein Identity：O43353
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 2N7Z Solution structure of RIP2 CARD Deposited 2015-09-28 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
434–539（106 aa）
Fragment：UNP residues 434-539
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
301 K；Pressure ambient
NMR sample composition
0.8 mM [U-99% 13C; U-99% 15N] CARD-1, 50 mM [U-98% 2H] DTT-2, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2N83 p75NTR DD:RIP2 CARD Deposited 2015-10-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
434–539（106 aa）
Fragment：UNP residues 435-539
|
Not recorded | No recorded non-water small molecule | SOLUTION NMR |
NMR measurement conditions
301 K；Pressure ambient
NMR sample composition
0.5 mM [U-99% 13C; U-99% 15N] p75NTR DD-1, 10 mM [U-98% 2H] DTT-2, 1 mM RIP2 CARD-3, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition
0.5 mM [U-99% 13C; U-99% 15N] RIP2 CARD-4, 1 mM p75NTR DD-5, 10 mM [U-98% 2H] DTT-6, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 4C8B Structure of the kinase domain of human RIPK2 in complex with ponatinib Deposited 2013-09-30 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
8–317（310 aa）
Fragment：KINASE DOMAIN, RESIDUES 8-317
Chain B
8–317（310 aa）
Fragment：KINASE DOMAIN, RESIDUES 8-317
|
Not recorded | 0LI 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide × 2 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
16% PEG3350, 0.1M AMMONIUM CITRATE
|
Resolution 2.75 Å R-free 0.244 |
| 5AR2 RIP2 Kinase Catalytic Domain (1 - 310) Deposited 2015-09-23 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
Chain B
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
|
Not recorded | CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.5；28% PEG400, 5% GLYCEROL, 0.1M HEPES PH7.5, 0.2M CACL2
|
Resolution 2.44 Å R-free 0.211 |
| 5AR3 RIP2 Kinase Catalytic Domain (1 - 310) complex with AMP-PCP Deposited 2015-09-23 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
Chain B
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
20% PEG3350, 0.2M NAKTARTRATE
|
Resolution 3.23 Å R-free 0.254 |
| 5AR4 RIP2 Kinase Catalytic Domain (1 - 310) complex with SB-203580 Deposited 2015-09-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
Chain B
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
|
Not recorded | SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 8.5；0.1M TRIS HCL PH8.5, 0.7M DINH4TARTRATE.
|
Resolution 2.70 Å R-free 0.216 |
| 5AR5 RIP2 Kinase Catalytic Domain (1 - 310) complex with Benzimidazole Deposited 2015-09-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
Chain B
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
|
Not recorded | CA CALCIUM ION × 1 IQ7 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 7.5；0.2M CACL2, 5% GLYCEROL, 0.1M HEPES PH 7.5, 26.6% PEG400
|
Resolution 2.66 Å R-free 0.217 |
| 5AR7 RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea Deposited 2015-09-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
Chain B
1–310（310 aa）
Fragment：KINASE DOMAIN, UNP RESIDUES 1-310
|
Not recorded | SR8 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；30% PEG300, 0.1M MES PH6.5
|
Resolution 2.71 Å R-free 0.225 |
| 5AR8 RIP2 Kinase Catalytic Domain (1 - 310) complex with Biphenylsulfonamide Deposited 2015-09-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Fragment：KINASE DOMAIN, RESIDUES 1-310
Chain B
1–310（310 aa）
Fragment：KINASE DOMAIN, RESIDUES 1-310
|
Not recorded | XYW 2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；30% GLYCEROL, 0.07M NA OAC PH4.6, 1.4M NA FORMATE
|
Resolution 2.79 Å R-free 0.233 |
| 5J79 The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, Compound 3 complex Deposited 2016-04-06 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Fragment：UNP residues 1-310
Chain B
1–310（310 aa）
Fragment：UNP residues 1-310
|
Not recorded | 6GE 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol × 2 SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；1.5M Ammonium sulphate, 25% glycerol
|
Resolution 2.69 Å R-free 0.219 |
| 5J7B The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, GSK583 complex Deposited 2016-04-06 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Fragment：UNP residues 1-310
Chain B
1–310（310 aa）
Fragment：UNP residues 1-310
|
Not recorded | 6GD 6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；293 K；100mM Mes pH7, 12% PEG 400, 250mM CaCl2. Crystals soaked in compound for 2 hours.
|
Resolution 2.53 Å R-free 0.233 |
| 5NG0 Structure of RIP2K(L294F) with bound AMPPCP Deposited 2017-03-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–300（300 aa）
Chain B
1–300（300 aa）
|
Not recorded | ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 CO COBALT (II) ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；Hepes 100 mM pH 7.5, 1 mM MgCl2, 2.0 M LiCl and 5% PEG 6000
|
Resolution 2.00 Å R-free 0.191 |
| 5NG2 Structure of RIP2K(D146N) with bound Staurosporine Deposited 2017-03-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–300（300 aa）
Chain B
1–300（300 aa）
|
Not recorded | STU STAUROSPORINE × 2 PO4 PHOSPHATE ION × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；.1 M MES pH6.5, 2M NaCl, 0.1 mM Na(H2PO4), 0.1 mM of K(H2PO4)
|
Resolution 2.80 Å R-free 0.226 |
| 5NG3 Structure of inactive kinase RIP2K(K47R) Deposited 2017-03-16 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain D
1–300（300 aa）
|
Mutation：K47R Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.5, 0.5 mM (NH4)2SO4
|
Resolution 2.60 Å R-free 0.269 |
| 5NG3 Structure of inactive kinase RIP2K(K47R) Deposited 2017-03-16 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–300（300 aa）
|
Mutation：K47R | SO4 SULFATE ION × 7 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.5, 0.5 mM (NH4)2SO4
|
Resolution 2.60 Å R-free 0.269 |
| 5NG3 Structure of inactive kinase RIP2K(K47R) Deposited 2017-03-16 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–300（300 aa）
|
Mutation：K47R Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.5, 0.5 mM (NH4)2SO4
|
Resolution 2.60 Å R-free 0.269 |
| 5NG3 Structure of inactive kinase RIP2K(K47R) Deposited 2017-03-16 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain C
1–300（300 aa）
|
Mutation：K47R | SO4 SULFATE ION × 5 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Tris pH 8.5, 0.5 mM (NH4)2SO4
|
Resolution 2.60 Å R-free 0.269 |
| 5W5J Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases Deposited 2017-06-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–311（310 aa）
Chain B
2–311（310 aa）
|
Not recorded | 9WS N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide × 2 SO4 SULFATE ION × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；1.6M ammonium sulfate, 0.1M citric acid pH 5.0
|
Resolution 2.85 Å R-free 0.268 |
| 5W5O Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. Deposited 2017-06-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–311（310 aa）
Fragment：UNP residues 2-311
Chain B
2–311（310 aa）
Fragment：UNP residues 2-311
|
Not recorded | 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.0M lithium chloride, 10.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0
|
Resolution 2.89 Å R-free 0.252 |
| 5W5O Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. Deposited 2017-06-15 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
2–311（310 aa）
Fragment：UNP residues 2-311
Chain D
2–311（310 aa）
Fragment：UNP residues 2-311
|
Not recorded | 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.0M lithium chloride, 10.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0
|
Resolution 2.89 Å R-free 0.252 |
| 5W5O Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. Deposited 2017-06-15 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
2–311（310 aa）
Fragment：UNP residues 2-311
Chain F
2–311（310 aa）
Fragment：UNP residues 2-311
|
Not recorded | 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.0M lithium chloride, 10.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0
|
Resolution 2.89 Å R-free 0.252 |
| 5W5O Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. Deposited 2017-06-15 | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain G
2–311（310 aa）
Fragment：UNP residues 2-311
Chain H
2–311（310 aa）
Fragment：UNP residues 2-311
|
Not recorded | 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.0M lithium chloride, 10.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0
|
Resolution 2.89 Å R-free 0.252 |
| 5W5O Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. Deposited 2017-06-15 | Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain I
2–311（310 aa）
Fragment：UNP residues 2-311
Chain J
2–311（310 aa）
Fragment：UNP residues 2-311
|
Not recorded | 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.0M lithium chloride, 10.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0
|
Resolution 2.89 Å R-free 0.252 |
| 5W5O Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. Deposited 2017-06-15 | Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain K
2–311（310 aa）
Fragment：UNP residues 2-311
Chain L
2–311（310 aa）
Fragment：UNP residues 2-311
|
Not recorded | 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.0M lithium chloride, 10.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0
|
Resolution 2.89 Å R-free 0.252 |
| 5W5O Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. Deposited 2017-06-15 | Assembly 7 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain M
2–311（310 aa）
Fragment：UNP residues 2-311
Chain N
2–311（310 aa）
Fragment：UNP residues 2-311
|
Not recorded | 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.0M lithium chloride, 10.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0
|
Resolution 2.89 Å R-free 0.252 |
| 5W5O Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases. Deposited 2017-06-15 | Assembly 8 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain O
2–311（310 aa）
Fragment：UNP residues 2-311
Chain P
2–311（310 aa）
Fragment：UNP residues 2-311
|
Not recorded | 9XA 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.0M lithium chloride, 10.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0
|
Resolution 2.89 Å R-free 0.252 |
| 5YRN Structure of RIP2 CARD domain Deposited 2017-11-09 | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
Chain A
434–540（107 aa）
Fragment：CARD domain
Chain B
434–540（107 aa）
Fragment：CARD domain
Chain C
434–540（107 aa）
Fragment：CARD domain
Chain D
434–540（107 aa）
Fragment：CARD domain
Chain E
434–540（107 aa）
Fragment：CARD domain
Chain F
434–540（107 aa）
Fragment：CARD domain
Chain G
434–540（107 aa）
Fragment：CARD domain
Chain H
434–540（107 aa）
Fragment：CARD domain
Chain I
434–540（107 aa）
Fragment：CARD domain
Chain J
434–540（107 aa）
Fragment：CARD domain
Chain K
434–540（107 aa）
Fragment：CARD domain
Chain L
434–540（107 aa）
Fragment：CARD domain
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen METHANE
|
Resolution 4.10 Å |
| 6ES0 Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35 Deposited 2017-10-19 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–317（315 aa）
|
Not recorded | BW8 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG Smear Low -- 0.1M MES pH 6.5 -- 0.05M magnesium acetate -- 0.05M magnesium chloride
|
Resolution 2.38 Å R-free 0.258 |
| 6ES0 Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35 Deposited 2017-10-19 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–317（315 aa）
|
Not recorded | BW8 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl]oxy-phenyl]carbamoylamino]phenyl]sulfanylethanoic acid × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；25% PEG Smear Low -- 0.1M MES pH 6.5 -- 0.05M magnesium acetate -- 0.05M magnesium chloride
|
Resolution 2.38 Å R-free 0.258 |
| 6FU5 Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP18 Deposited 2018-02-26 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
3–317（315 aa）
Chain B
3–317（315 aa）
|
Not recorded | E7N ~{N}-[5-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-2-methoxy-phenyl]propane-1-sulfonamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；150 nL sitting drops containing 50 nL protein and 100 nL of a reservoir solution containing 0.2 M potassium formate and 20% (w/v) PEG3350
|
Resolution 3.26 Å R-free 0.271 |
| 6GFJ Structure of RIP2 CARD domain fused to crystallisable MBP tag Deposited 2018-04-30 | Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
435–540（106 aa）
Chain B
435–540（106 aa）
Chain C
435–540（106 aa）
Chain D
435–540（106 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.25 M NaNO3, and 22% (w/v) PEG 3350
|
Resolution 3.30 Å R-free 0.266 |
| 6GGS Structure of RIP2 CARD filament Deposited 2018-05-03 | Assembly 1 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric（10） Consistent with protein count |
Chain A
431–540（110 aa）
Chain B
431–540（110 aa）
Chain C
431–540（110 aa）
Chain D
431–540（110 aa）
Chain E
431–540（110 aa）
Chain F
431–540（110 aa）
Chain G
431–540（110 aa）
Chain H
431–540（110 aa）
Chain I
431–540（110 aa）
Chain J
431–540（110 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.94 Å |
| 6HMX RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine Deposited 2018-09-13 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Chain B
1–310（310 aa）
|
Not recorded | GEZ 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；100mM Mes pH7
12% PEG400
250mM CaCl2
|
Resolution 2.53 Å R-free 0.192 |
| 6RN8 RIP2 Kinase Catalytic Domain complex with 2(4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl)oxy)ethyl phosphate Deposited 2019-05-08 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Chain B
1–310（310 aa）
|
Not recorded | K9T 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Morpheus G2.
0.1M Carboxylic acids, 0.1M buffer system 1 pH6.5, 50% Precipitant Mix 2
|
Resolution 2.69 Å R-free 0.212 |
| 6RNA RIP2 Kinase Catalytic Domain complex with 2({4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl}oxy)ethan1ol Deposited 2019-05-08 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Chain B
1–310（310 aa）
|
Not recorded | KA2 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethanol × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；100mM Mes pH7, 12% PEG 400, 250mM CaCl2
|
Resolution 2.62 Å R-free 0.190 |
| 6S1F Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3 Deposited 2019-06-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
3–317（315 aa）
Chain B
3–317（315 aa）
|
Not recorded | KRE ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；150 nL sitting drops containing 100 nL protein and 50 nL of a reservoir solution containing the BCS5 condition 20% PEG Smear High, 0.1M citrate pH 5.5
|
Resolution 3.11 Å R-free 0.300 |
| 6S1F Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3 Deposited 2019-06-18 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
3–317（315 aa）
Chain D
3–317（315 aa）
|
Not recorded | KRE ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；150 nL sitting drops containing 100 nL protein and 50 nL of a reservoir solution containing the BCS5 condition 20% PEG Smear High, 0.1M citrate pH 5.5
|
Resolution 3.11 Å R-free 0.300 |
| 6SZE RIP2 Kinase Catalytic Domain complex with 5-Amino-1-Phenylpyrazole-4-Carboxamide. Deposited 2019-10-02 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Chain B
1–310（310 aa）
|
Not recorded | M2B 5-Amino-1-Phenylpyrazole-4-Carboxamide × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；100mM buffer (Mes or Hepes pH6.8-7.5), 12-28% PEG 400, 50-250mM CaCl2, 0-200mM NaCl
|
Resolution 2.94 Å R-free 0.234 |
| 6SZJ RIP2 Kinase Catalytic Domain complex with 5amino1tertbutyl3(3methoxyphenyl)1H pyrazole4carboxamide. Deposited 2019-10-02 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–310（310 aa）
Chain B
1–310（310 aa）
|
Not recorded | M5W 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide × 2 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；100mM buffer (Mes or Hepes pH6.8-7.5), 12-28% PEG 400, 50-250mM CaCl2, 0-200mM NaCl
|
Resolution 2.53 Å R-free 0.241 |
| 6UL8 RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide Deposited 2019-10-07 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
5–310（306 aa）
|
Mutation：C7S, S168C | Q9J (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；85 mM Tris, pH 7.5, 200 mM calcium chloride, 10% PEG400, 5% glycerol, in 24 well Linbro trays at 22 degrees C. Crystals were frozen directly from the tray using paraffin oil as a cryoprotectant.
|
Resolution 2.68 Å R-free 0.220 |
| 6UL8 RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide Deposited 2019-10-07 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
5–310（306 aa）
|
Mutation：C7S, S168C | Q9J (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide × 1 CA CALCIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；85 mM Tris, pH 7.5, 200 mM calcium chloride, 10% PEG400, 5% glycerol, in 24 well Linbro trays at 22 degrees C. Crystals were frozen directly from the tray using paraffin oil as a cryoprotectant.
|
Resolution 2.68 Å R-free 0.220 |
| 7OBS Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide Deposited 2021-04-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
530–540（11 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CA CALCIUM ION × 2 MG MAGNESIUM ION × 6 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.7, 23%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
|
Resolution 1.80 Å R-free 0.189 |
| 7OBT Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide and stabilizer Fusicoccin-A Deposited 2021-04-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain B
530–540（11 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | FSC FUSICOCCIN × 2 MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；0.095 M Hepes pH7.7, 23%PEG 400, 0.19 M CaCl2 and 5 % Glycerol
|
Resolution 2.30 Å R-free 0.246 |
| 8AZA Structure of RIP2K dimer bound to the XIAP BIR2 domain Deposited 2022-09-05 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain A
1–317（317 aa）
Chain B
1–317（317 aa）
|
Not recorded | ZN ZINC ION × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.15 Å |
| 8X2O RIPK2 in complex with K252 Deposited 2023-11-10 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–316（316 aa）
Chain B
1–316（316 aa）
|
Not recorded | 6IL ~{N}-[(1~{R})-4-[4-[(6-fluoranyl-1,3-benzothiazol-5-yl)amino]thieno[2,3-d]pyrimidin-6-yl]cyclohex-3-en-1-yl]cyclopropanecarboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；100mM Mes pH7,12% PEG 400, 250mM CaCl2
|
Resolution 2.26 Å R-free 0.254 |
| 9F3V RIP2K kinase domain dimer with bound compound 37 (N399), a speific NOD1 pathway inhibitor Deposited 2024-04-26 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–316（316 aa）
Chain B
1–316（316 aa）
|
Not recorded | A1H90 N-[2,4-bis(chloranyl)-5-methoxy-phenyl]-7-[2-(diethylamino)ethoxy]-6-methoxy-quinazolin-4-amine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；Compound 37, in powder form was solubilized in DMSO at 5 mM concentration. One aliquot of protein at 1.14 mg/ml was thawed and mixed with 50 microM inhibitor and kept on ice for 10 minutes. The complex was than concentrated to 3.8 mg/ml. solutions containing 3.8 mg/ml of protein-inhibitor complex equilibrated against 0.1 M citric acid and 0.8 M sodium formate at pH 5.
|
Resolution 1.94 Å R-free 0.256 |