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2g01

Pyrazoloquinolones as Novel, Selective JNK1 inhibitors

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Mitogen-activated protein kinase 8

Homo sapiens

UniProt P45983

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 C-jun-amino-terminal kinase-interacting protein 1 × 1 （Q9UQF2） SULFATE ION × 2 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE × 1 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 C-jun-amino-terminal kinase-interacting protein 1 × 1 （Q9UQF2） SULFATE ION × 2 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE × 1 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 4 C-jun-amino-terminal kinase-interacting protein 1 × 2 （Q9UQF2） SULFATE ION × 4 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
3elj 3pze 4awi 4l7f 4qtd 8pt8 8pt8 8pt8 8pt9 8pt9 8pt9 8pta

16 assemblies; showing the first 12

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
1ukh 1uki 2g01 2g01 2g01 2gmx 2gmx 2gmx 2h96 2h96 2h96 2no3

40 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name MK08_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–364； UniProt 1–364 Author chain B； PDBConstruct 1–364； UniProt 1–364

C-jun-amino-terminal kinase-interacting protein 1

OrganismNot specified

UniProt Q9UQF2

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 Mitogen-activated protein kinase 8 × 1 （P45983） SULFATE ION × 2 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE × 1 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 Mitogen-activated protein kinase 8 × 1 （P45983） SULFATE ION × 2 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE × 1 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 4 Mitogen-activated protein kinase 8 × 2 （P45983） SULFATE ION × 4 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer

None

Homodimer
7nyk 7nyk 7nym 7nym 7nyn 7nyn 7nyn 7nyn 7nyn 7nyn 7nyo 7nyo

18 assemblies; showing the first 12

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
2g01 2g01 2g01 2gmx 2gmx 2gmx 2h96 2h96 2h96 3ptg 3vud 3vug

28 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name JIP1_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain F； PDBConstruct 1–11； UniProt 157–167 Author chain G； PDBConstruct 1–11； UniProt 157–167

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id2g01
Deposition date deposition_date2006-02-10
Structure title titlePyrazoloquinolones as Novel, Selective JNK1 inhibitors
Keywords keywordsJNK1, c-jun N-Terminal Kinase, Protein Kinase JNK1 inhibitors, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

2g01__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

2g01__assembly_2__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

2g01__assembly_2__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg（Guinier）22.39 Å
Rg (electron density)21.40 Å
Total Rg22.22 Å
Atom count2959
Residues367
Excluded volume53060 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 2g01__assembly_1__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 2g01__assembly_2__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
3 1 2g01__assembly_3__model_1 tetrameric （4） Success 4.1.3-1-20251215 (887e7ef) View Download
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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (4)

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6. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id2g01A01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id2g01A02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id2g01B01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id2g01B02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
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7. Citations (1)