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Structure paper

TitleConceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Journal, issue, pagesAcs Omega, Year 2019
Publish dateMay 5, 2017 (structure data deposition date)
AuthorsMueller, J.M. / Kirschner, R. / Geyer, A. / Klebe, G.
External linksAcs Omega / Search PubMed
MethodsX-ray diffraction
Resolution1.238 - 2.21 Å
Structure data

PDB-5nw8:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and Fasudil
Method: X-RAY DIFFRACTION / Resolution: 2.086 Å

PDB-5o0e:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and Fasudil
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5o5m:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp117
Method: X-RAY DIFFRACTION / Resolution: 1.583 Å

PDB-5ol3:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp117
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-5ot3:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp117
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-5oua:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp017
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-5ous:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-6egw:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

PDB-6eh0:
Apo crystal structure of the Protein-Kinase A catalytic subunit from Criteculus
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-6eh2:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-6em2:
Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with Fasudil
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-6em6:
Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and ADP
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-6em7:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ADP
Method: X-RAY DIFFRACTION / Resolution: 1.238 Å

PDB-6ema:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ATP
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-6ert:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193 and RKp117
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6eru:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp120
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-6erv:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-6erw:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-6esa:
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and AMP
Method: X-RAY DIFFRACTION / Resolution: 1.307 Å

PDB-6i2a:
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6i2b:
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-6i2c:
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and Fasudil
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-6i2d:
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp117
Method: X-RAY DIFFRACTION / Resolution: 1.91 Å

Chemicals

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-M77:
5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE / inhibitor*YM

ChemComp-RIP:
beta-D-ribopyranose

ChemComp-HOH:
WATER

ChemComp-9LQ:
[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid

ChemComp-CL:
Unknown entry

ChemComp-RIB:
alpha-D-ribofuranose

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

ChemComp-BVZ:
[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide

Source
  • cricetulus griseus (Chinese hamster)
KeywordsTRANSFERASE / Complex / peptidic ligand / ribose / apo-structure / Fasudil

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