2024-03-27 REL PDBe PDBe PDBe 2023-05-30 2024-03-20 2024-03-20 2024-03-27 Medical Research Council (MRC, United Kingdom) MR/V009354/1 United Kingdom Cryo-EM structure of CDK7 subunit of CAK in complex with inhibitor LDC4297 Cushing VI Koh AF Feng J Jurgaityte K Bahl AK Ali S Kotecha A Greber BJ Kinase, Inhibitor, Transcription, Cell Cycle, TRANSFERASE Cushing VI Koh AF Feng J Jurgaityte K Bondke A Kroll SHB Barbazanges M Scheiper B Bahl AK Barrett AGM Ali S Kotecha A Greber BJ High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun UK 15 2265 2265 2024 38480681 doi:10.1038/s41467-024-46375-9 2041-1723 EMD-17129 other EM volume
Cryo-EM structure of CAK-THZ1
 8p7l FULLOVERLAP CDK-activating kinase CDK-activating kinase 0 1 2
CAK in complex with non-covalent inhibitor LDC4297. Only CDK7 and regions of MAT1 are present in the model, but the sample also contains cyclin H, the third CAK subunit.
0.085 CDK-activating kinase assembly factor MAT1 Homo sapiens 0.038132339999999994 1 Trichoplusia ni LEVO MGSSHHHHHHENLYFQSNAMDDQGCPRCKTTKYRNPSLKLMVNVCGHTLCESCVDLLFVRGAGNCPECGTPLRKSNFRVQ LFEDPTVDKEVEIRKKVLKIYNKREEDFPSLREYNDFLEEVEEIVFNLTNNVDLDNTKKKMEIYQKENKDVIQKNKLKLT REQEELEEALEVERQENEQRRLFIQKEEQLQQILKRKNKQAFLDELESSDLPVALLLAQHKDRSTQLEMQLEKPKPVKPV TFSTGIKMGQHISLAPIHKLEEALYEYQPLQIETYGPHVPELEMLGRLGYLNHVRAASPQDLAGGYTSSLACHRALQDAF SGLFWQPS P51948 Cyclin-dependent kinase 7 Homo sapiens 0.042107371 1 Trichoplusia ni LEVO SNAYSPTSPSYAPTAPAYSPTSPSGGSGSGSSGMALDVKSRAKRYEKLDFLGEGQFATVYKARDKNTNQIVAIKKIKLGH RSEAKDGINRTALREIKLLQELSHPNIIGLLDAFGHKSNISLVFDFMETDLEVIIKDNSLVLTPSHIKAYMLMTLQGLEY LHQHWILHRDLKPNNLLLDENGVLKLADFGLAKSFGSPNRAYTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELL LRVPFLPGDSDLDQLTRIFETLGTPTEEQWPDMCSLPDYVTFKSFPGIPLHHIFSAAGDDLLDLIQGLFLFNPCARITAT QALKMKYFSNRPGPTPGCQLPRPNCPVETLKEQSNPALAIKRKRTEALEQGGLPKKLIF P50613 2.7.11.22 2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine 0.000432521 1 WD9 water 1.8015e-05 42 HOH singleParticle particle 0.4 7.9 200.0 KCl Potassium chloride 2.0 MgCl2 Magnesium chloride 20.0 HEPES-KOH 5.0 Beta-mercaptoethanol Quantifoil R1.2/1.3 GOLD 300 GOLD HOLEY PLASMA CLEANING ETHANE 100 278 FEI VITROBOT MARK IV TFS KRIOS FLOOD BEAM BRIGHT FIELD FIELD EMISSION GUN 300 50.0 2.7 0.4 2.0 245614.0 FEI TITAN KRIOS AUTOGRID HOLDER NITROGEN TFS Selectris X 10 TFS FALCON 4i (4k x 4k) 1 9553 70.0 1 EMD-22123 FOURIER SPACE 2.1 FSC 0.143 CUT-OFF RELION 4.0 beta 273097 MAXIMUM LIKELIHOOD RELION 4.0 beta MAXIMUM LIKELIHOOD RELION 4.0 beta RELION 4.0 beta emd_17536.map.gz 1 IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) 320 320 320 0 0 0 320 320 320 273.6 273.6 273.6 90.0 90.0 90.0 X Y Z -0.052522637 0.09506588 0.0000042648785 0.0018323507 0.855 0.855 0.855 0.0125 AUTHOR Post-processed sharpened cryo-EM map 6XD3 PDB experimental model RIGID BODY FIT REAL emd_17536_msk_1.map emd_17536_half_map_2.map.gz 1 IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) 320 320 320 0 0 0 320 320 320 273.6 273.6 273.6 90.0 90.0 90.0 X Y Z -0.02460665 0.050679445 0.000003870749 0.0010419153 0.855 0.855 0.855 AUTHOR Unfiltered half-map emd_17536_half_map_1.map.gz 1 IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) 320 320 320 0 0 0 320 320 320 273.6 273.6 273.6 90.0 90.0 90.0 X Y Z -0.022194372 0.052564654 0.000004659008 0.0010338719 0.855 0.855 0.855 AUTHOR Unfiltered half-map