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. 2022 Apr 21;62(10):2301–2315. doi: 10.1021/acs.jcim.1c01510

Table 1. List of Our Curated PDB Ion Channel Data Set.

PDB ID Protein name
1J95 KCSA potassium channel with TBA (tetrabutylammonium) and potassium
2LY0 Membrane ion channel M2 solution NMR structure of the influenza A virus S31N mutant (19–49) in presence of drug M2WJ332
2RLF Proton channel M2 from influenza A in complex with inhibitor rimantadine
3JAF Structure of alpha-1 glycine receptor by single particle electron cryomicroscopy, glycine/ivermectin-bound state
4TNW Avermectin-sensitive glutamate-gated chloride channel GluCl alpha
4XDK Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine
4XDL Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative
5EK0 Human Nav1.7-VSD4-NavAb in complex with GX-936
5IS0 Structure of TRPV1 in complex with capsazepine, determined in lipid nanodisc
5KLG Structure of CavAb(W195Y) in complex with Br-dihydropyridine derivative UK-59811
5KMD Structure of CavAb in complex with amlodipine
5KMF Structure of CavAb in complex with nimodipine
5KMH Structure of CavAb in complex with Br-verapamil
5OSC GLIC-GABAAR alpha1 chimera crystallized in complex with pregnenolone sulfate
5VDH Crystal structure of human glycine receptor alpha-3 bound to AM-3607, glycine, and ivermectin
5VDI Crystal structure of human glycine receptor alpha-3 mutant N38Q bound to AM-3607, glycine, and ivermectin
6HUG CryoEM structure of human full-length alpha1-beta3-gamma2L GABA(A)R in complex with picrotoxin and megabody Mb38
6JPA Rabbit Cav1.1-verapamil complex
6JPB Rabbit Cav1.1-Bay K8644 complex
6JUH Structure of CavAb in complex with efonidipine
6KEB Structure basis for Diltiazem block of a voltage-gated calcium channel
6LQA Voltage-gated sodium channel Nav1.5 with quinidine
6MVX NavAb voltage-gated sodium channel, I217C, in complex with Class 1C antiarrhythmic flecainide
6RV3 Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493
6RV4 Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237
6SXF Crystal structure of the voltage-gated sodium channel NavMs (F208L) in complex with Tamoxifen
6UZ0 Cardiac sodium channel (Nav1.5) with flecainide
6WJ5 Structure of human TRPA1 in complex with inhibitor GDC-0334
6X40 Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus picrotoxin
6YSN Human TRPC5 in complex with Pico145 (HC-608)
7BYM Cryo-EM structure of human KCNQ4 with retigabine
7BYN Cryo-EM structure of human KCNQ4 with linopirdine
7CR1 Human KCNQ2 in complex with ztz240
7D4P Structure of human TRPC5 in complex with clemizole
7D4Q Structure of human TRPC5 in complex with HC-070
7JUP Structure of human TRPA1 in complex with antagonist compound 21
7LQZ Structure of squirrel TRPV1 in complex with RTX
7MZC Cryo-EM structure of minimal TRPV1 with RTX bound in C1 state
7MZD Cryo-EM structure of minimal TRPV1 with RTX bound in C2 state
7RHJ Cryo-EM structure of human rod CNGA1/B1 channel in l-cis-Diltiazem-blocked open state