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9dw9

Phosphorylated (E1371Q)CFTR in complex with PKA-C

Method: ELECTRON MICROSCOPY Dmax: 135.1 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Cystic fibrosis transmembrane conductance regulator

Homo sapiens

UniProt P13569

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 1–1480 Mutation：E1371Q Non-standard monomer：Yes (specific site not provided by mmCIF) cAMP-dependent protein kinase catalytic subunit alpha × 1 （P00517） CLR CHOLESTEROL × 1 D10 DECANE × 4 MG MAGNESIUM ION × 4 ATP ADENOSINE-5'-TRIPHOSPHATE × 3 CL CHLORIDE ION × 4 UND UNDECANE × 3 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 2.80 Å

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 9DW9 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1XMI Crystal structure of human F508A NBD1 domain with ATP Deposited 2004-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 388–678（291 aa） Fragment：nucleotide binding domain one
Chain B 388–678（291 aa） Fragment：nucleotide binding domain one
Chain C 388–678（291 aa） Fragment：nucleotide binding domain one
Chain D 388–678（291 aa） Fragment：nucleotide binding domain one
Chain E 388–678（291 aa） Fragment：nucleotide binding domain one
Mutation：F508A Mutation：F508A Mutation：F508A Mutation：F508A Mutation：F508A MG MAGNESIUM ION × 5 ATP ADENOSINE-5'-TRIPHOSPHATE × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；PEG 400, glycerol, ethylene glycol, tris, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.25 Å R-free 0.265
1XMI Crystal structure of human F508A NBD1 domain with ATP Deposited 2004-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric
Chain A 388–678（291 aa） Fragment：nucleotide binding domain one
Chain B 388–678（291 aa） Fragment：nucleotide binding domain one
Chain C 388–678（291 aa） Fragment：nucleotide binding domain one
Chain D 388–678（291 aa） Fragment：nucleotide binding domain one
Chain E 388–678（291 aa） Fragment：nucleotide binding domain one
Mutation：F508A Mutation：F508A Mutation：F508A Mutation：F508A Mutation：F508A MG MAGNESIUM ION × 10 ATP ADENOSINE-5'-TRIPHOSPHATE × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；PEG 400, glycerol, ethylene glycol, tris, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.25 Å R-free 0.265
1XMJ Crystal structure of human deltaF508 human NBD1 domain with ATP Deposited 2004-10-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 388–678（291 aa） Fragment：nucleotide binding domain one
Mutation：deltaF508 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；PEG 4000, glycerol, ethylene glycol, tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.287
2BBO Human NBD1 with Phe508 Deposited 2005-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 389–678（290 aa） Fragment：residues 389-678
Mutation：F409L, F429S, F433L, G550E, R553Q, R555K, H667R MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；280 K；30% PEG4000, 0.2M LiCl, 50mM Tris, pH 9, 3mM ATP, 5mM MgCl2, 2mM TCEP, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 280K
Resolution 2.55 Å R-free 0.274
2BBS Human deltaF508 NBD1 with three solubilizing mutations Deposited 2005-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 389–678（290 aa） Fragment：residues 389-678
Mutation：F429S, F494N, Q636R MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；280 K；39% PEG4000, 0.1M LiCl, 50mM Tris, pH 9.0, 3mM ATP, 5mM MgCl2, 2mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 280K
Resolution 2.05 Å R-free 0.291
2BBS Human deltaF508 NBD1 with three solubilizing mutations Deposited 2005-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 389–678（290 aa） Fragment：residues 389-678
Mutation：F429S, F494N, Q636R MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；280 K；39% PEG4000, 0.1M LiCl, 50mM Tris, pH 9.0, 3mM ATP, 5mM MgCl2, 2mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 280K
Resolution 2.05 Å R-free 0.291
2BBT Human deltaF508 NBD1 with two solublizing mutations. Deposited 2005-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 389–678（290 aa） Fragment：residues 389-678
Mutation：F504N, Q646R MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；35% PEG4000, 0.2M LiCl, 50mM Tris pH 7.5, 3mM ATP, 5mM MgCl2, 2mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 280K
Resolution 2.30 Å R-free 0.295
2BBT Human deltaF508 NBD1 with two solublizing mutations. Deposited 2005-10-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 389–678（290 aa） Fragment：residues 389-678
Mutation：F504N, Q646R MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；280 K；35% PEG4000, 0.2M LiCl, 50mM Tris pH 7.5, 3mM ATP, 5mM MgCl2, 2mM TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 280K
Resolution 2.30 Å R-free 0.295
2LOB PDZ Domain of CAL (Cystic Fibrosis Transmembrane Regulator-Associated Ligand) Deposited 2012-01-20 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1473–1480（8 aa） Fragment：PDZ-binding motif residues 1473-1480
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；310 K；Ionic strength (raw mmCIF value) 1.0；Pressure ambient
NMR sample composition 1.0 mM [U-100% 13C; U-100% 15N] protein_1, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2PZE Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer Deposited 2007-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–404（18 aa） Fragment：CFTR NBD1 387-646(del405-436)
Chain A 437–646（210 aa） Fragment：CFTR NBD1 387-646(del405-436)
Mutation：del405-436 Mutation：del405-436 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；281 K；Protein: 9.5mg/ml NBD1, 0.15M NaCl, 0.01M methionine, 0.01M HEPES pH 7.5, 10% glycerol, 0.001M TCEP, 0.002M ATP; Well: 0.1M Hepes pH 7.5, 25% PEG 6K; Cryo: 25% DMSO, vapor diffusion, temperature 281K
Resolution 1.70 Å R-free 0.247
2PZE Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer Deposited 2007-05-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 387–404（18 aa） Fragment：CFTR NBD1 387-646(del405-436)
Chain B 437–646（210 aa） Fragment：CFTR NBD1 387-646(del405-436)
Mutation：del405-436 Mutation：del405-436 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；281 K；Protein: 9.5mg/ml NBD1, 0.15M NaCl, 0.01M methionine, 0.01M HEPES pH 7.5, 10% glycerol, 0.001M TCEP, 0.002M ATP; Well: 0.1M Hepes pH 7.5, 25% PEG 6K; Cryo: 25% DMSO, vapor diffusion, temperature 281K
Resolution 1.70 Å R-free 0.247
2PZF Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508 Deposited 2007-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–404（18 aa） Fragment：CFTR NBD1 387-646
Chain A 437–646（210 aa） Fragment：CFTR NBD1 387-646
Mutation：del405-436, delF508 Mutation：del405-436, delF508 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；281 K；Protein: 9.5mg/ml NBD1, 0.15M NaCl, 0.01M methionine, 0.01M HEPES pH 7.5, 10% glycerol, 0.001M TCEP, 0.002M ATP; Well: 0.1M Tris pH 8.5, 35% PEG 4K, 0.2M NaAcetate; Cryo: 25% DMSO, vapor diffusion, temperature 281K
Resolution 2.00 Å R-free 0.251
2PZF Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508 Deposited 2007-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 387–404（18 aa） Fragment：CFTR NBD1 387-646
Chain B 437–646（210 aa） Fragment：CFTR NBD1 387-646
Mutation：del405-436, delF508 Mutation：del405-436, delF508 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；281 K；Protein: 9.5mg/ml NBD1, 0.15M NaCl, 0.01M methionine, 0.01M HEPES pH 7.5, 10% glycerol, 0.001M TCEP, 0.002M ATP; Well: 0.1M Tris pH 8.5, 35% PEG 4K, 0.2M NaAcetate; Cryo: 25% DMSO, vapor diffusion, temperature 281K
Resolution 2.00 Å R-free 0.251
2PZF Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer with delta F508 Deposited 2007-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 387–404（18 aa） Fragment：CFTR NBD1 387-646
Chain A 437–646（210 aa） Fragment：CFTR NBD1 387-646
Chain B 387–404（18 aa） Fragment：CFTR NBD1 387-646
Chain B 437–646（210 aa） Fragment：CFTR NBD1 387-646
Mutation：del405-436, delF508 Mutation：del405-436, delF508 Mutation：del405-436, delF508 Mutation：del405-436, delF508 MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；281 K；Protein: 9.5mg/ml NBD1, 0.15M NaCl, 0.01M methionine, 0.01M HEPES pH 7.5, 10% glycerol, 0.001M TCEP, 0.002M ATP; Well: 0.1M Tris pH 8.5, 35% PEG 4K, 0.2M NaAcetate; Cryo: 25% DMSO, vapor diffusion, temperature 281K
Resolution 2.00 Å R-free 0.251
2PZG Minimal human CFTR first nucleotide binding domain as a monomer Deposited 2007-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 375–404（30 aa） Fragment：CFTR NBD1 375-646(del405-436)
Chain A 437–646（210 aa） Fragment：CFTR NBD1 375-646(del405-436)
Mutation：del405-436 Mutation：del405-436 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；281 K；Protein: 9.5mg/ml NBD1, 0.15M NaCl, 0.01M methionine, 0.01M HEPES pH 7.5, 10% glycerol, 0.001M TCEP, 0.002M ATP; Well: 0.1M Hepes pH 6.5, 25% PEG 10K ; Cryo: 25% glycerol, vapor diffusion, temperature 281K
Resolution 1.80 Å R-free 0.234
2PZG Minimal human CFTR first nucleotide binding domain as a monomer Deposited 2007-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 375–404（30 aa） Fragment：CFTR NBD1 375-646(del405-436)
Chain B 437–646（210 aa） Fragment：CFTR NBD1 375-646(del405-436)
Mutation：del405-436 Mutation：del405-436 MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；281 K；Protein: 9.5mg/ml NBD1, 0.15M NaCl, 0.01M methionine, 0.01M HEPES pH 7.5, 10% glycerol, 0.001M TCEP, 0.002M ATP; Well: 0.1M Hepes pH 6.5, 25% PEG 10K ; Cryo: 25% glycerol, vapor diffusion, temperature 281K
Resolution 1.80 Å R-free 0.234
3GD7 Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) Deposited 2009-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1193–1427（235 aa）
Mutation：Q1280E, Y1307N, E1308A, Q1309A, W1310H, H1402A, Q1411D B44 N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；1.1-1.25 M tri-sodium citrate, pH 5.5-8, sitting drop, temperature 277K, VAPOR DIFFUSION
Resolution 2.70 Å R-free 0.308
3GD7 Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) Deposited 2009-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1193–1427（235 aa）
Mutation：Q1280E, Y1307N, E1308A, Q1309A, W1310H, H1402A, Q1411D B44 N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；1.1-1.25 M tri-sodium citrate, pH 5.5-8, sitting drop, temperature 277K, VAPOR DIFFUSION
Resolution 2.70 Å R-free 0.308
3GD7 Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) Deposited 2009-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1193–1427（235 aa）
Mutation：Q1280E, Y1307N, E1308A, Q1309A, W1310H, H1402A, Q1411D B44 N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；1.1-1.25 M tri-sodium citrate, pH 5.5-8, sitting drop, temperature 277K, VAPOR DIFFUSION
Resolution 2.70 Å R-free 0.308
3GD7 Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) Deposited 2009-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1193–1427（235 aa）
Mutation：Q1280E, Y1307N, E1308A, Q1309A, W1310H, H1402A, Q1411D B44 N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；1.1-1.25 M tri-sodium citrate, pH 5.5-8, sitting drop, temperature 277K, VAPOR DIFFUSION
Resolution 2.70 Å R-free 0.308
3GD7 Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) Deposited 2009-02-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 1193–1427（235 aa）
Chain B 1193–1427（235 aa）
Chain C 1193–1427（235 aa）
Chain D 1193–1427（235 aa）
Mutation：Q1280E, Y1307N, E1308A, Q1309A, W1310H, H1402A, Q1411D Mutation：Q1280E, Y1307N, E1308A, Q1309A, W1310H, H1402A, Q1411D Mutation：Q1280E, Y1307N, E1308A, Q1309A, W1310H, H1402A, Q1411D Mutation：Q1280E, Y1307N, E1308A, Q1309A, W1310H, H1402A, Q1411D B44 N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；1.1-1.25 M tri-sodium citrate, pH 5.5-8, sitting drop, temperature 277K, VAPOR DIFFUSION
Resolution 2.70 Å R-free 0.308
3ISW Crystal structure of filamin-A immunoglobulin-like repeat 21 bound to an N-terminal peptide of CFTR Deposited 2009-08-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 5–22（18 aa） Fragment：UNP residues 5-22
Mutation：R21A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M Bis-Tris Propane pH 7.0, 60% Tacsimate, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.298
4WZ6 Human CFTR aa389-678 (NBD1), deltaF508 with three solubilizing mutations, bound ATP Deposited 2014-11-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 389–678（290 aa） Fragment：UNP residues 389-678
Mutation：F429S, F494N, deltaF508, Q637R ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；283 K；0.2M Magnesium Chloride, 0.1M Tris-HCl pH8.5, 33% PEG 4000
Resolution 2.05 Å R-free 0.239
5D2D Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 Deposited 2015-08-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 747–774（28 aa） Fragment：UNP residues 747-774
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；HEPES, NaCl, DTT, Li2SO4, Glycine, K2HPO4
Resolution 2.10 Å R-free 0.220
5D3E Crystal structure of human 14-3-3 gamma in complex with CFTR R-domain peptide pS768-pS795 Deposited 2015-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 762–801（40 aa） Fragment：UNP residues 762-801
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；HEPES, NaCl, DTT, (NH4)2SO4, Poly(acrylic acid sodium salt 2100
Resolution 2.75 Å R-free 0.244
5D3E Crystal structure of human 14-3-3 gamma in complex with CFTR R-domain peptide pS768-pS795 Deposited 2015-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain G 762–801（40 aa） Fragment：UNP residues 762-801
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；HEPES, NaCl, DTT, (NH4)2SO4, Poly(acrylic acid sodium salt 2100
Resolution 2.75 Å R-free 0.244
5D3E Crystal structure of human 14-3-3 gamma in complex with CFTR R-domain peptide pS768-pS795 Deposited 2015-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 762–801（40 aa） Fragment：UNP residues 762-801
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；HEPES, NaCl, DTT, (NH4)2SO4, Poly(acrylic acid sodium salt 2100
Resolution 2.75 Å R-free 0.244
5D3F Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 and stabilizer fusicoccin-A Deposited 2015-08-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 747–774（28 aa） Fragment：UNP residues 747-774
Non-standard monomer：Yes (specific site not provided by mmCIF) FSC FUSICOCCIN × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；HEPES, NaCl, DTT, PEG6000
Resolution 2.74 Å R-free 0.303
5TF7 Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP Deposited 2016-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.93 Å R-free 0.200
5TF8 Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP Deposited 2016-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M TTP THYMIDINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；Protein buffer:containing 150 mM NaCl, 30% (v/v) glycerol, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5, Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.86 Å R-free 0.187
5TFA Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dUTP Deposited 2016-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M DUT DEOXYURIDINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；Protein buffer: 150 mM NaCl, 30% (v/v) glycerol, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5; Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.87 Å R-free 0.195
5TFB Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP Deposited 2016-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；Protein buffer: 150 mM NaCl, 30% (v/v) glycerol, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5 Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.87 Å R-free 0.199
5TFC Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP Deposited 2016-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；Protein buffer: 150 mM NaCl, 30% (v/v) glycerol, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5; Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.92 Å R-free 0.201
5TFD Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP Deposited 2016-09-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 CTP CYTIDINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；279 K；Protein buffer: 150 mM NaCl, 30% (v/v) glycerol, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5; Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.89 Å R-free 0.195
5TFF Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP Deposited 2016-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 UTP URIDINE 5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；Protein buffer: 150 mM NaCl, 30% (v/v) glycerol, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5; Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.89 Å R-free 0.190
5TFG Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 5-methyl-UTP Deposited 2016-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 M5T 5-Methyluridine triphosphate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；279 K；Protein buffer: 150 mM NaCl, 30% (v/v) glycerol, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5; Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.91 Å R-free 0.184
5TFI Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP Deposited 2016-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；Protein buffer: 150 mM NaCl, 10% (v/v) glycerol,10% (v/v) Ethylene glycol, 10mM MgCl2, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5. Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.89 Å R-free 0.201
5TFJ Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP Deposited 2016-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；Protein buffer: 150 mM NaCl, 10% (v/v) glycerol,10% (v/v) Ethylene glycol, 10mM MgCl2, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5. Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.85 Å R-free 0.185
5TGK Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP Deposited 2016-09-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 387–646（260 aa） Fragment：Nucleotide-binding domain 1 (UNP residues 387-646)
Mutation：V470M MG MAGNESIUM ION × 1 DTP 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 7.5；279 K；Protein buffer: 150 mM NaCl, 10% (v/v) glycerol,10% (v/v) Ethylene glycol, 10mM MgCl2, 1 mM TCEP, and 20 mM Na-HEPES, pH 7.5. Precipitant buffer: 40% (v/v) PEG 400, 100 mM NH4Cl, and 100 mM MES, pH 6
Resolution 1.91 Å R-free 0.198
5UAK Dephosphorylated, ATP-free human cystic fibrosis transmembrane conductance regulator (CFTR) Deposited 2016-12-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.87 Å
6HEP Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768 Deposited 2018-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 747–774（28 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；278 K；0.1M Tris, 25% v/v PEG350 MME
Resolution 1.86 Å R-free 0.251
6HEP Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768 Deposited 2018-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 747–774（28 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ETE 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；278 K；0.1M Tris, 25% v/v PEG350 MME
Resolution 1.86 Å R-free 0.251
6MSM Phosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (CFTR) Deposited 2018-10-16 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Mutation：E1371Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 CLR CHOLESTEROL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
6O1V Complex of human cystic fibrosis transmembrane conductance regulator (CFTR) and GLPG1837 Deposited 2019-02-21 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Not recorded LJP N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide × 1 MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 CLR CHOLESTEROL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
6O2P Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) Deposited 2019-02-24 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Not recorded MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 6 AJP Digitonin × 1 VX7 N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.30 Å
6RQR Extended NHERF1 PDZ2 domain in complex with the PDZ-binding motif of CFTR Deposited 2019-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1477–1480（4 aa）
Chain B 1477–1480（4 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；288 K；1.65 M ammonium sulphate, 100 mM tri-sodium citrate pH 5.6
Resolution 2.20 Å R-free 0.233
6UK1 Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Deposited 2019-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1202–1430（229 aa）
Mutation：S1255L,Q1280E,K1292D,Y1307N,K1334G,S1359A,Q1411D,H1402A,Q1411D ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；277 K；24% PEG 8000, 100 mM Li2SO4, 10mM NaBr, 100 mM Bis-Tris Propane pH 6.0
Resolution 2.69 Å R-free 0.304
6UK1 Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Deposited 2019-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1202–1430（229 aa）
Mutation：S1255L,Q1280E,K1292D,Y1307N,K1334G,S1359A,Q1411D,H1402A,Q1411D ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；277 K；24% PEG 8000, 100 mM Li2SO4, 10mM NaBr, 100 mM Bis-Tris Propane pH 6.0
Resolution 2.69 Å R-free 0.304
6UK1 Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Deposited 2019-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1202–1430（229 aa）
Mutation：S1255L,Q1280E,K1292D,Y1307N,K1334G,S1359A,Q1411D,H1402A,Q1411D ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；277 K；24% PEG 8000, 100 mM Li2SO4, 10mM NaBr, 100 mM Bis-Tris Propane pH 6.0
Resolution 2.69 Å R-free 0.304
6UK1 Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Deposited 2019-10-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1202–1430（229 aa）
Mutation：S1255L,Q1280E,K1292D,Y1307N,K1334G,S1359A,Q1411D,H1402A,Q1411D ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；277 K；24% PEG 8000, 100 mM Li2SO4, 10mM NaBr, 100 mM Bis-Tris Propane pH 6.0
Resolution 2.69 Å R-free 0.304
6WBS Human CFTR first nucleotide binding domain with dF508/V510D Deposited 2020-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 388–646（259 aa）
Mutation：deltaF508, V510D, delta405-436 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；CFTR NBD1 V510D in buffer A was crystallized by mixing equal amounts of protein at 6 mg/mL with 0.1 M Tris pH 7.6, 28% (w/v) polyethylene glycol 10,000. Crystallization was induced by streak-seeding using crystals grown in 0.1 M HEPES, pH 7.5, 25% (w/v) polyethylene glycol 550 monomethylether, and plates incubated at 4C. Crystals grew over several days and were frozen by quick dip in reservoir solution supplemented with 25% (w/v) ethylene glycol
Resolution 1.86 Å R-free 0.213
6WBS Human CFTR first nucleotide binding domain with dF508/V510D Deposited 2020-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 388–646（259 aa）
Mutation：deltaF508, V510D, delta405-436 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；CFTR NBD1 V510D in buffer A was crystallized by mixing equal amounts of protein at 6 mg/mL with 0.1 M Tris pH 7.6, 28% (w/v) polyethylene glycol 10,000. Crystallization was induced by streak-seeding using crystals grown in 0.1 M HEPES, pH 7.5, 25% (w/v) polyethylene glycol 550 monomethylether, and plates incubated at 4C. Crystals grew over several days and were frozen by quick dip in reservoir solution supplemented with 25% (w/v) ethylene glycol
Resolution 1.86 Å R-free 0.213
7QI1 Crystal structure of human 14-3-3 protein beta in complex with CFTR peptide pS753pS768 and PPI stabilizer CY007424 Deposited 2021-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: octameric
Chain E 747–774（28 aa）
Chain F 747–774（28 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) ARG ARGININE × 2 Q95 [2-(2-methylphenyl)sulfanylphenyl]methanamine × 2 TYR TYROSINE × 2 GLN GLUTAMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；Qiagen Cryos Suite #44 (0.09 M HEPES sodium salt pH7.5, 1.26M tri-sodium citrate, 10% (v/v) glycerol) with an extra 2% (v/v) of glycerol.
Resolution 1.76 Å R-free 0.241
7SV7 The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Tezacaftor (VX-661) Deposited 2021-11-18 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Mutation：E1371Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 DD9 nonane × 2 D12 DODECANE × 4 CLR CHOLESTEROL × 2 C14 TETRADECANE × 1 PJ8 heptadecane × 1 CV6 Tezacaftor × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
7SVD The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Lumacaftor (VX-809) Deposited 2021-11-18 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Mutation：E1371Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 D12 DODECANE × 1 D10 DECANE × 2 CLR CHOLESTEROL × 3 VX8 Lumacaftor × 1 UNX UNKNOWN LIGAND × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å
7SVR The complex of dephosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) and Lumacaftor (VX-809) Deposited 2021-11-19 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Not recorded VX8 Lumacaftor × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å
8EIG The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445) and ATP/Mg Deposited 2022-09-15 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–1480（1480 aa）
Mutation：E1371Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 CLR CHOLESTEROL × 1 WJX (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.60 Å
8EIO The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445), lumacaftor (VX-809) and ATP/Mg Deposited 2022-09-15 Different mutation/modification Different ligand/ion Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Mutation：E1371Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 CLR CHOLESTEROL × 1 D12 DODECANE × 1 VX8 Lumacaftor × 1 WJX (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.80 Å
8EIQ The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with Trikafta [elexacaftor (VX-445), tezacaftor (VX-661), ivacaftor (VX-770)] and ATP/Mg Deposited 2022-09-15 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Mutation：E1370Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 CLR CHOLESTEROL × 1 D12 DODECANE × 1 VX7 N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide × 1 WJX (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide × 1 CV6 Tezacaftor × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8EJ1 Dephosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) Deposited 2022-09-16 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–1480（1480 aa）
Mutation：E1371Q No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.90 Å
8FZQ Dehosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (CFTR) Deposited 2023-01-29 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–1480（1480 aa）
Not recorded MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.30 Å
8GLS Complex of human cystic fibrosis transmembrane conductance regulator (CFTR) and Z1834339853 Deposited 2023-03-23 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Not recorded MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 ZRH (2S)-1-(3-amino-6-fluoro-1H-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
8UBR Complex of the phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with CFTRinh-172 and ATP/Mg Deposited 2023-09-24 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–1480（1480 aa）
Mutation：E1371Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 LBN 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine × 2 CLR CHOLESTEROL × 2 WG5 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.70 Å
8V7Z Phosphorylated, ATP-bound, E1371Q human cystic fibrosis transmembrane conductance regulator (E1371Q-CFTR) Deposited 2023-12-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 11–1431（1421 aa）
Mutation：E1371Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 CLR CHOLESTEROL × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.40 Å
8V81 Phosphorylated, ATP-bound, inhibitor 172-bound E1371Q human cystic fibrosis transmembrane conductance regulator Deposited 2023-12-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3–1440（1438 aa）
Mutation：E1371Q MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 POV (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate × 5 CLR CHOLESTEROL × 1 WG5 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.60 Å
9DW4 Dephosphorylated CFTR in 1:1 complex with PKA-C (site II) Deposited 2024-10-08 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–1480（1480 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 9.00 Å
9DW5 Dephosphorylated CFTR in 1:1 complex with PKA-C (site I) Deposited 2024-10-08 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Not recorded MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
9DW7 Dephosphorylated CFTR in 1:2 complex with PKA-C Deposited 2024-10-08 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1–1480（1480 aa）
Not recorded MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.00 Å
9DW8 Dephosphorylated (E1371Q)CFTR in complex with PKA-C Deposited 2024-10-08 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–1480（1480 aa）
Mutation：E1371Q B44 N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) × 2 MG MAGNESIUM ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
9MXL Complex of the phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with (R)-BPO-27 and ATP/Mg Deposited 2025-01-20 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–1480（1480 aa）
Mutation：E1371Q A1BUJ (6R,12R)-6-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-2-carboxylic acid × 1 MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 CL CHLORIDE ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.10 Å

52 other PDB entries and 70 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CFTR_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–1480； UniProt 1–1480

cAMP-dependent protein kinase catalytic subunit alpha

Bos taurus

UniProt P00517

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain G； UniProt 1–351 Non-standard monomer：Yes (specific site not provided by mmCIF) Cystic fibrosis transmembrane conductance regulator × 1 （P13569） CLR CHOLESTEROL × 1 D10 DECANE × 4 MG MAGNESIUM ION × 4 ATP ADENOSINE-5'-TRIPHOSPHATE × 3 CL CHLORIDE ION × 4 UND UNDECANE × 3 ELECTRON MICROSCOPY cryo-EM buffer：pH 7.4 cryo-EM vitrification conditions：Cryogen ETHANE Resolution 2.80 Å

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 9DW9 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1CDK CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C Deposited 1994-07-04 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MN MANGANESE (II) ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；280 K；pH 5.6, temperature 280K
Resolution 2.00 Å
1CDK CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C Deposited 1994-07-04 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MN MANGANESE (II) ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；280 K；pH 5.6, temperature 280K
Resolution 2.00 Å
1CMK CRYSTAL STRUCTURES OF THE MYRISTYLATED CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE REVEAL OPEN AND CLOSED CONFORMATIONS Deposited 1993-11-18 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain E 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MYR MYRISTIC ACID × 6 IOD IODIDE ION × 12 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.90 Å
1Q24 PKA double mutant model of PKB in complex with MgATP Deposited 2003-07-23 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：V123A, L173M Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；277.16 K；Mes-Bistris, LiCl, DTT, Mega8, PKI, ATP, MgCl, , pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.16K, pH 6.40
Resolution 2.60 Å R-free 0.250
1Q61 PKA triple mutant model of PKB Deposited 2003-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277.15 K；MES-Bistris, LiCl, DTT, Mega8, PKI, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.10 Å R-free 0.232
1Q62 PKA double mutant model of PKB Deposited 2003-08-12 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：V123A, L173M Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；MES-Bistris, LiCl, DTT, Mega8, PKI, methanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
Resolution 2.30 Å R-free 0.252
1Q8T The Catalytic Subunit of cAMP-dependent Protein Kinase (PKA) in Complex with Rho-kinase Inhibitor Y-27632 Deposited 2003-08-22 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa） Fragment：Catalytic Subunit
Non-standard monomer：Yes (specific site not provided by mmCIF) Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.00 Å R-free 0.229
1Q8U The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor H-1152P Deposited 2003-08-22 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa） Fragment：Catalytic Subunit
Non-standard monomer：Yes (specific site not provided by mmCIF) H52 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE × 2 MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.90 Å R-free 0.206
1Q8W The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor Fasudil (HA-1077) Deposited 2003-08-22 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa） Fragment：Catalytic Subunit
Non-standard monomer：Yes (specific site not provided by mmCIF) M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.20 Å R-free 0.295
1SMH Protein kinase A variant complex with completely ordered N-terminal helix Deposited 2004-03-09 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa） Fragment：Catalytic Subunit
Mutation：Q84E, V123A, L173M, F187L Non-standard monomer：Yes (specific site not provided by mmCIF) BU3 (R,R)-2,3-BUTANEDIOL × 6 MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, (R,R)-2,3-butanediol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.04 Å R-free 0.238
1STC CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE Deposited 1997-10-10 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–350（350 aa） Fragment：CATALYTIC SUBUNIT
Non-standard monomer：Yes (specific site not provided by mmCIF) STU STAUROSPORINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.330
1SVE Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 Deposited 2004-03-29 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) NA SODIUM ION × 1 I01 (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER × 1 MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.49 Å R-free 0.257
1SVG Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4 Deposited 2004-03-29 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) I04 N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.02 Å R-free 0.227
1SVH Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 Deposited 2004-03-29 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) I08 (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8 , pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.30 Å R-free 0.259
1SZM DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA) Deposited 2004-04-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–350（350 aa）
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, PKI(5-24), pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.50 Å R-free 0.289
1SZM DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA) Deposited 2004-04-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–350（350 aa）
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, PKI(5-24), pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.50 Å R-free 0.289
1VEB Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 Deposited 2004-03-29 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) I05 (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.89 Å R-free 0.251
1XH4 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R69 N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.45 Å R-free 0.242
1XH5 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R68 N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.05 Å R-free 0.236
1XH6 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R94 N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.90 Å R-free 0.249
1XH7 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R96 N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.47 Å R-free 0.254
1XH8 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) R55 N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.60 Å R-free 0.236
1XH9 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：Q84E, V123A, L173M, F187L, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) R69 N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.64 Å R-free 0.199
1XHA Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：Q84E, V123A, L173M, F187L Non-standard monomer：Yes (specific site not provided by mmCIF) R68 N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.46 Å R-free 0.272
1YDR STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H7 PROTEIN KINASE INHIBITOR 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE Deposited 1996-07-24 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–350（350 aa） Fragment：CATALYTIC SUBUNIT
Non-standard monomer：Yes (specific site not provided by mmCIF) IQP 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop
Resolution 2.20 Å
1YDS Structure of CAMP-dependent protein kinase, alpha-catalytic subunit in complex with H8 protein kinase inhibitor [N-(2-methylamino)ethyl]-5-isoquinolinesulfonamide Deposited 1996-07-24 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–350（350 aa） Fragment：CATALYTIC SUBUNIT
Non-standard monomer：Yes (specific site not provided by mmCIF) IQS N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop
Resolution 2.20 Å
1YDT STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE Deposited 1996-07-24 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–350（350 aa） Fragment：CATALYTIC SUBUNIT
Non-standard monomer：Yes (specific site not provided by mmCIF) IQB N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop
Resolution 2.30 Å
2C1A Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide Deposited 2005-09-12 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) I5S ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.230
2C1B Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline Deposited 2005-09-12 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CQP (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.211
2F7E PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine Deposited 2005-11-30 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–351（351 aa）
Not recorded 2EA (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.323
2F7X Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine Deposited 2005-12-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 0–350（351 aa）
Not recorded 4EA (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.297
2F7Z Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine Deposited 2005-12-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 0–350（351 aa）
Not recorded 6EA (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 3.00 Å R-free 0.342
2GFC cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 Deposited 2006-03-21 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) OCT N-OCTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15 % Methanol, 75 mM LiCl, 30 mM MesBisTris, 1 mM DTT, 0.2 mM EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.87 Å R-free 0.239
2GNF Protein kinase A fivefold mutant model of Rho-kinase with Y-27632 Deposited 2006-04-10 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：L49I, V123M, E127D, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；Methanol, LiCl, MesBisTris, EDTA, DTT, Mega8, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.28 Å R-free 0.258
2GNG Protein kinase A fivefold mutant model of Rho-kinase Deposited 2006-04-10 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：L49I, V123M, E127D, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；Methanol, LiCl, MesBisTris, DTT, EDTA, Mega8, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.87 Å R-free 0.258
2GNH PKA five fold mutant model of Rho-kinase with H1152P Deposited 2006-04-10 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：L49I, V123M, E127D, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) H52 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；LiCl, MesBisTris, EDTA, DTT, Mega8, Methanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.05 Å R-free 0.256
2GNI PKA fivefold mutant model of Rho-kinase with inhibitor Fasudil (HA1077) Deposited 2006-04-10 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：L49I, V123M, E127D, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；Methanol, LiCl, MesBisTris, EDTA, DTT, Mega8, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.27 Å R-free 0.268
2GNJ PKA three fold mutant model of Rho-kinase with Y-27632 Deposited 2006-04-10 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：L49I, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；LiCl, MesBisTris, EDTA, DTT, Mega8, Methanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.28 Å R-free 0.262
2GNL PKA threefold mutant model of Rho-kinase with inhibitor H-1152P Deposited 2006-04-10 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：L49I, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) H52 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；Methanol, LiCl, MesBisTris, DTT, EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.60 Å R-free 0.303
2JDS Structure of cAMP-dependent protein kinase complexed with A-443654 Deposited 2007-01-12 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.272
2JDT Structure of PKA-PKB chimera complexed with ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE Deposited 2007-01-12 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) I5S ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.15 Å R-free 0.259
2JDV Structure of PKA-PKB chimera complexed with A-443654 Deposited 2007-01-12 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.08 Å R-free 0.276
2OH0 Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors Deposited 2007-01-09 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–351（351 aa）
Not recorded 2PY (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å R-free 0.320
2OJF Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine based inhibitors Deposited 2007-01-12 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–351（351 aa）
Not recorded 4PY (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
Resolution 2.10 Å R-free 0.290
2UVX Structure of PKA-PKB chimera complexed with 7-azaindole Deposited 2007-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVH 1H-PYRROLO[2,3-B]PYRIDINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.237
2UVY Structure of PKA-PKB chimera complexed with methyl-(4-(9H-purin-6-yl)- benzyl)-amine Deposited 2007-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVI N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.95 Å R-free 0.253
2UVZ Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine Deposited 2007-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVJ (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.94 Å R-free 0.245
2UW0 Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine Deposited 2007-03-15 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVK 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.248
2UW3 Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole Deposited 2007-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVG 3-METHYL-4-PHENYL-1H-PYRAZOLE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.19 Å R-free 0.252
2UW4 Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine Deposited 2007-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) L15 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.274
2UW5 Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine Deposited 2007-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVN (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.14 Å R-free 0.259
2UW6 Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine Deposited 2007-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVO (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.23 Å R-free 0.244
2UW7 Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine Deposited 2007-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVP 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.318
2UW8 Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine Deposited 2007-03-19 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–350（350 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) GVQ (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.233
2UZT PKA structures of AKT, indazole-pyridine inhibitors Deposited 2007-05-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 15–350（336 aa） Fragment：RESIDUES 15-350
Not recorded SS3 (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.313
2UZU PKA structures of indazole-pyridine series of AKT inhibitors Deposited 2007-05-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 15–350（336 aa） Fragment：RESIDUES 15-350
Not recorded L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å R-free 0.371
2UZV PKA structures of indazole-pyridine series of AKT inhibitors Deposited 2007-05-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 15–350（336 aa） Fragment：RESIDUES 15-350
Not recorded SS5 (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å R-free 0.316
2UZW PKA structures of indazole-pyridine series of AKT inhibitors Deposited 2007-05-01 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 15–350（336 aa） Fragment：RESIDUES 15-350
Not recorded SS4 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.20 Å R-free 0.328
2VNW Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine Deposited 2008-02-08 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) M01 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.09 Å R-free 0.247
2VNY Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine Deposited 2008-02-08 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) M02 1-(9H-purin-6-yl)piperidin-4-amine × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.96 Å R-free 0.292
2VO0 Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine Deposited 2008-02-08 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 EDO 1,2-ETHANEDIOL × 2 M03 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.94 Å R-free 0.216
2VO3 Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine Deposited 2008-02-08 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 M04 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.98 Å R-free 0.246
2VO6 Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine Deposited 2008-02-08 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 M05 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.97 Å R-free 0.229
2VO7 Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine Deposited 2008-02-08 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) M05 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.98 Å R-free 0.241
3AG9 Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 Deposited 2010-03-26 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–351（351 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；pH 6.5；277 K；Mes-Bis-Tris, LiCl, MeOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.246
3AG9 Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 Deposited 2010-03-26 Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A02 (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Mes-Bis-Tris, LiCl, MeOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.246
3AG9 Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 Deposited 2010-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Chain B 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) A02 (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Mes-Bis-Tris, LiCl, MeOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.246
3BWJ Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034 Deposited 2008-01-09 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ARX (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；279 K；Mes-Bis-Tris, LiCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K
Resolution 2.30 Å R-free 0.249
3DND cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 Deposited 2008-07-02 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) LL2 5-benzyl-1,3-thiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；75mM LiCl, 30mM MesBisTris, 1mM DTT, 0.2mM EDTA, pH 6.5, 15% Methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.26 Å R-free 0.253
3DNE cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 Deposited 2008-07-02 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) LL1 3-pyridin-4-yl-1H-indazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；15% Methanol, 75mM LiCl, 30mM MesBisTris, 1mM DTT, 0.2mM EDTA, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.230
3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.20 Å R-free 0.290
3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.20 Å R-free 0.290
3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.20 Å R-free 0.290
3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.20 Å R-free 0.290
3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.20 Å R-free 0.290
3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.20 Å R-free 0.290
3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–351（350 aa） Fragment：CAMP-DEPENDENT PKA kinase domain
Non-standard monomer：Yes (specific site not provided by mmCIF) G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.00 Å R-free 0.279
3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2–351（350 aa） Fragment：CAMP-DEPENDENT PKA kinase domain
Non-standard monomer：Yes (specific site not provided by mmCIF) G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.00 Å R-free 0.279
3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2–351（350 aa） Fragment：CAMP-DEPENDENT PKA kinase domain
Non-standard monomer：Yes (specific site not provided by mmCIF) G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.00 Å R-free 0.279
3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 2–351（350 aa） Fragment：CAMP-DEPENDENT PKA kinase domain
Non-standard monomer：Yes (specific site not provided by mmCIF) G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.00 Å R-free 0.279
3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain L 2–351（350 aa） Fragment：CAMP-DEPENDENT PKA kinase domain
Non-standard monomer：Yes (specific site not provided by mmCIF) G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.00 Å R-free 0.279
3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain P 2–351（350 aa） Fragment：CAMP-DEPENDENT PKA kinase domain
Non-standard monomer：Yes (specific site not provided by mmCIF) G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
Resolution 2.00 Å R-free 0.279
3KKV Structure of PKA with a protein Kinase B-selective inhibitor. Deposited 2009-11-06 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) B99 (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；294 K；Protein stock was at 20mg/ml in 25mM Mes-Bis Tris, pH 6.4, 75mM LiCl, 0.1M EDTA, 1mM DTT. The final concentration of inhibitor in the protein solution was 1mM from a 100mM stock solution of compound dissolved in DMSO.The protein was reacted with inhibitor on ice for 6 hours prior to crystallization.The final concentration of PKI in the protein solution was 2mM from stock 100mM dissolved in water. The final concentration of MEGA8 in the protein solution was 1.5mM from 225mM stock diluted from 790mM in the Hampton additive kit with water. Two microliters of protein were added to 0.35 microliters of 10% glycerol in buffer and put in sitting drops over 15% methanol diluted with water at 4C. Cryo was 100mM MES pH6.4, 100mM LiCl, 25% MeOH, 20% MPD., VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 1.80 Å R-free 0.225
3ZO1 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) SIJ 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE × 1 GOL GLYCEROL × 4 MOH METHANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277 K；25MM MES-BISTRIS PH6.5, 75MM LICL, 1MM DTT, 0.1MM EDTA, 1.5MM MEGA8; 4 DEGREE CELSIUS
Resolution 2.00 Å R-free 0.190
3ZO2 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 15I 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine × 1 GOL GLYCEROL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277 K；25MM MES-BISTRIS PH6.5, 75MM LICL, 1MM DTT, 0.1MM EDTA, 1.5MM MEGA8; 4 DEGREE CELSIUS
Resolution 1.98 Å R-free 0.191
3ZO3 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) QNI 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE × 1 MOH METHANOL × 7 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277 K；25MM MES-BISTRIS PH6.5, 75MM LICL, 1MM DTT, 0.1MM EDTA, 1.5MM MEGA8; 4 DEGREE CELSIUS
Resolution 2.10 Å R-free 0.210
3ZO4 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 QWI 6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；277 K；25MM MES-BISTRIS PH6.5, 75MM LICL, 1MM DTT, 0.1MM EDTA, 1.5MM MEGA8; 4 DEGREES CELSIUS
Resolution 1.65 Å R-free 0.195
4AXA Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol Deposited 2012-06-12 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) RKD (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.90 Å R-free 0.256
4C33 PKA-S6K1 Chimera Apo Deposited 2013-08-21 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
Resolution 1.70 Å R-free 0.187
4C34 PKA-S6K1 Chimera with Staurosporine bound Deposited 2013-08-21 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) STU STAUROSPORINE × 1 GOL GLYCEROL × 1 MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
Resolution 1.78 Å R-free 0.214
4C35 PKA-S6K1 Chimera with compound 1 (NU1085) bound Deposited 2013-08-21 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) NU3 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
Resolution 2.19 Å R-free 0.240
4C36 PKA-S6K1 Chimera with compound 15e (CCT147581) bound Deposited 2013-08-21 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) ZO9 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine × 1 MOH METHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
Resolution 1.98 Å R-free 0.190
4C37 PKA-S6K1 Chimera with compound 21a (CCT196539) bound Deposited 2013-08-21 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Z21 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
Resolution 1.70 Å R-free 0.179
4C38 PKA-S6K1 Chimera with compound 21e (CCT239066) bound Deposited 2013-08-21 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) VUP 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine × 1 MOH METHANOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
Resolution 1.58 Å R-free 0.178
4IE9 Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate Deposited 2012-12-13 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PZX pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.4；278 K；pH 6.4, VAPOR DIFFUSION, temperature 278K
Resolution 1.92 Å R-free 0.232
4IJ9 Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone Deposited 2012-12-21 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) PTV 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.55 Å R-free 0.247
4YXR CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. Deposited 2015-03-23 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 0RW 3-methyl-2H-indazole × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；Protein: Mes-Bis-Tris 30mM pH 6,4, Lithium chloride 75mM, Dithiothreitol 1mM, Ethylenediaminetetraacetic acid disodium salt 0,1mM, Mega 8 0,15mM, PKA 10mg/ml Reservoir: Methanol 22%
Resolution 2.00 Å R-free 0.252
4YXS CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 Deposited 2015-03-23 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–351（350 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) EMU N-BENZYL-9H-PURIN-6-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；75MM LICL, 30MM MESBISTRIS, 1MM DTT, 0.2MM EDTA, PH 6.5, 15% METHANOL, PH 6.4, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K
Resolution 2.11 Å R-free 0.232
4Z83 PKAB3 in complex with pyrrolidine inhibitor 47a Deposited 2015-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 2–351（350 aa）
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) 4L7 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；The droplets, containing 16 mg/ml PKAB3, 25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8 mM PKI peptide, were equilibrated against 12-26 % (v/v) methanol.
Resolution 1.80 Å R-free 0.217
4Z84 PKAB3 in complex with pyrrolidine inhibitor 34a Deposited 2015-04-08 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) NVX 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MOH METHANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；The droplets, containing 16 mg/ml protein 25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide, 0.8 mM PKI peptide and 1mM of the pyrrolidine inhibitor 34a, were equilibrated against 12-26 % (v/v) methanol.
Resolution 1.55 Å R-free 0.234
5VHB Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor Deposited 2017-04-12 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：T198(TPO), S140(SEP), S339(SEP) Non-standard monomer：Yes (specific site not provided by mmCIF) 9CY N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.6；277 K；15% methanol
Resolution 1.61 Å R-free 0.204
5VI9 Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors Deposited 2017-04-14 Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Mutation：T198(TPO) Non-standard monomer：Yes (specific site not provided by mmCIF) 9D4 N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.6；277 K；15% methanol
Resolution 1.95 Å R-free 0.256
5VIB Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors Deposited 2017-04-14 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) 9D1 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.6；277 K；15% methanol
Resolution 2.37 Å R-free 0.276
6E99 Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor. Deposited 2018-07-31 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) J0G 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；5 to 27% methanol
Resolution 1.88 Å R-free 0.230
6E9L Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor Deposited 2018-08-01 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) J0P N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；5 to 27% Methanol
Resolution 2.80 Å R-free 0.271
8SF8 Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide Deposited 2023-04-10 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZWG N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；13 mg/mL PKA 1.25 uL + 1.25 uL 0.85 mM PKI(5-24) 25 mM Bis-Tris pH = 7.0 150 mM KCl 1.5 mM N-octanoyl N-methylglucamide (ONMG)
Resolution 1.70 Å R-free 0.220
9DW4 Dephosphorylated CFTR in 1:1 complex with PKA-C (site II) Deposited 2024-10-08 Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain K 1–351（351 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 9.00 Å
9DW5 Dephosphorylated CFTR in 1:1 complex with PKA-C (site I) Deposited 2024-10-08 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.80 Å
9DW7 Dephosphorylated CFTR in 1:2 complex with PKA-C Deposited 2024-10-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 1–351（351 aa）
Chain K 1–351（351 aa）
Not recorded MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 6.00 Å
9DW8 Dephosphorylated (E1371Q)CFTR in complex with PKA-C Deposited 2024-10-08 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–351（351 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) B44 N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) × 2 MG MAGNESIUM ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
9FQR 96-nm repeat of axonemal doublet microtubules from bovine sperm Deposited 2024-06-21 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 1574 PDB declaration: 1574-meric
Chain Xt 1–351（351 aa）
Not recorded GTP GUANOSINE-5'-TRIPHOSPHATE × 342 MG MAGNESIUM ION × 345 GDP GUANOSINE-5'-DIPHOSPHATE × 345 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.9
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE
Resolution 5.00 Å

97 other PDB entries and 111 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KAPCA_BOVIN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain G； PDBConstruct 1–351； UniProt 1–351

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

SAXS scattering curve SAXS Profile

SAXS profile for 9dw9

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9dw9
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9dw9
Deposition date deposition_date2024-10-08
Structure title titlePhosphorylated (E1371Q)CFTR in complex with PKA-C
Keywords keywordsCFTR, PKA, complex, HYDROLASE; HYDROLASE
Experimental Method methodELECTRON MICROSCOPY
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier40.89 Å
Radius of gyration Rg (electron density) rg_electron41.18 Å
Forward intensity I(0) i0402066000.00
Molecular weight molecular_weight175080.0 kDa
Excluded volume excluded_volume223930 ų
Envelope volume envelope_volume296080 ų
Hydration-shell volume shell_volume60916 ų
Envelope diameter envelope_diameter139.4 Å
Shell Rg shell_rg45.30 Å
Envelope Rg envelope_rg41.11 Å
Shape Rg shape_rg41.16 Å
Total Rg total_rg41.47 Å
Total atoms total_atoms12329
Residues n_residues1509
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax135.1 Å
Rg (real space) rg_real40.92 Å
Rg uncertainty (real space) rg_real_error1.11 Å
I(0) (real space) i0_real4.0210e+08
I(0) uncertainty (real space) i0_real_error7.4510e+06
Rg (reciprocal space) rg_reciprocal40.89 Å
I(0) (reciprocal space) i0_reciprocal402100000.0000
Solution quality estimate total_estimate0.8859
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary41.6 Å
Skewness Skewness skewness0.317
Kurtosis Kurtosis kurtosis-0.560
Angular range angular_range— – 0.1950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha128000000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.894; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.958; Smooth: 0.873
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (9)

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8. Citations (1)

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9. Files and Curves (10)