Download MendeleyA structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
Park, H., Feng, Y.To be published.
8VWM
A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds
- PDB DOI: https://doi.org/10.2210/pdb8VWM/pdb
- Classification: TRANSFERASE
- Organism(s): Mus musculus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2024-02-01 Released: 2025-02-05
- Funding Organization(s): National Institutes of Health/National Institute on Aging (NIH/NIA)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.94 ?
- R-Value Free: 0.222 (Depositor), 0.222 (DCC)
- R-Value Work: 0.175 (Depositor), 0.175 (DCC)
- R-Value Observed: 0.177 (Depositor)
Starting Model: experimental
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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 |
| Mitogen-activated protein kinase 14 | 367 | Mus musculus | Mutation(s): 0 Gene Names: Mapk14, Crk1, Csbp1, Csbp2 EC: 2.7.11.24 |  | |
UniProt | |||||
Find proteins for P47811 (Mus musculus) Explore P47811 Go to UniProtKB: P47811 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P47811 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| WHE (Subject of Investigation/LOI) Query on WHE | B [auth A] | (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide C23 H21 Cl F N5 O S AJPANELCEAKRHE-UHFFFAOYSA-N |  | ||
| BOG Query on BOG | C [auth A], D [auth A] | octyl beta-D-glucopyranoside C14 H28 O6 HEGSGKPQLMEBJL-RKQHYHRCSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.94 ?
- R-Value Free: 0.222 (Depositor), 0.222 (DCC)
- R-Value Work: 0.175 (Depositor), 0.175 (DCC)
- R-Value Observed: 0.177 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 66.12 | ¦Á = 90 |
| b = 70.78 | ¦Â = 90 |
| c = 77.05 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute on Aging (NIH/NIA) | United States | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-02-05
Type: Initial release
