Download MendeleyMolecular architecture and inhibition mechanism of human ATR-ATRIP
Wang, G., Wang, P., Zheng, Z., Zhang, Q., Xu, C., Xu, X., Jian, L., Zhao, Z., Cai, G., Wang, X.(2025) Sci Bull (Beijing)
9L4B | pdb_00009l4b
Kinase domain of ATR bound with RP-3500
- PDB DOI: https://doi.org/10.2210/pdb9L4B/pdb
- EM Map EMD-62808: EMDB EMDataResource
- Classification: CELL CYCLE
- Organism(s): Homo sapiens
- Expression System: Homo sapiens
- Mutation(s): No
- Deposited: 2024-12-20 Released: 2025-05-21
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: ELECTRON MICROSCOPY
- Resolution: 3.20 Å
- Aggregation State: CELL
- Reconstruction Method: SINGLE PARTICLE
wwPDB Validation 3D Report Full Report
This is version 1.0 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Serine/threonine-protein kinase ATR | 2,644 | Homo sapiens | Mutation(s): 0 Gene Names: ATR, FRP1 EC: 2.7.11.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q13535 (Homo sapiens) Explore Q13535 Go to UniProtKB: Q13535 | |||||
PHAROS: Q13535 GTEx: ENSG00000175054 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q13535 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| A1EIK (Subject of Investigation/LOI) Query on A1EIK | C [auth A], D [auth B] | RP-3500 C21 H26 N6 O3 YIHHYCIYAIVQKX-MBIULKOWSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: ELECTRON MICROSCOPY
- Resolution: 3.20 Å
- Aggregation State: CELL
- Reconstruction Method: SINGLE PARTICLE
| Task | Software Package | Version |
|---|---|---|
| MODEL REFINEMENT | PHENIX | 1.16_3549 |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-05-21 Deposition Author(s): Wang, G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-05-21
Type: Initial release
