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9o8w

Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor

Method: X-RAY DIFFRACTION Dmax: 113.1 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Dual specificity protein phosphatase 10

Homo sapiens

UniProt Q9Y6W6

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 320–467 Mutation：Y435F CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer) Resolution 2.39 Å R-free 0.251
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain B； UniProt 320–467 Mutation：Y435F CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer) Resolution 2.39 Å R-free 0.251
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain C； UniProt 320–467 Mutation：Y435F CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer) Resolution 2.39 Å R-free 0.251
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain D； UniProt 320–467 Mutation：Y435F CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer) Resolution 2.39 Å R-free 0.251
5 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain E； UniProt 320–467 Mutation：Y435F CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer) Resolution 2.39 Å R-free 0.251
6 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain F； UniProt 320–467 Mutation：Y435F CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；277 K；2 M ammonium sulfate (precipitant), 0.1 M HEPES, pH 7.5 (buffer) Resolution 2.39 Å R-free 0.251

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 9O8W Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1ZZW Crystal Structure of catalytic domain of Human MAP Kinase Phosphatase 5 Deposited 2005-06-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：catalytic domain
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；PEG3350, Lithium sulfate, magnesium sulfate, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.60 Å R-free 0.217
1ZZW Crystal Structure of catalytic domain of Human MAP Kinase Phosphatase 5 Deposited 2005-06-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa） Fragment：catalytic domain
Not recorded SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；PEG3350, Lithium sulfate, magnesium sulfate, DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.60 Å R-free 0.217
2OUC Crystal structure of the MAP kinase binding domain of MKP5 Deposited 2007-02-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 148–287（140 aa） Fragment：Rhodanese domain (Residues 148-287)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；277 K；100 mM sodium acetate (pH 4.5), and 2.3-2.5 M ammonium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.20 Å R-free 0.289
2OUC Crystal structure of the MAP kinase binding domain of MKP5 Deposited 2007-02-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 148–287（140 aa） Fragment：Rhodanese domain (Residues 148-287)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；277 K；100 mM sodium acetate (pH 4.5), and 2.3-2.5 M ammonium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.20 Å R-free 0.289
2OUD Crystal structure of the catalytic domain of human MKP5 Deposited 2007-02-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 315–482（168 aa） Fragment：Tyrosine-protein phosphatase domain (Residues 315-482)
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；100 mM Bis-tris (pH 6.0), and 2.7-3.0 M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.80 Å R-free 0.248
3TG1 Crystal structure of p38alpha in complex with a MAPK docking partner Deposited 2011-08-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 139–288（150 aa） Fragment：KBD (UNP RESIDUES 139-288)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；100mM Tris pH7.5, 9% [w/v] polyethylene glycol 3350, 8% [w/v] sucrose, VAPOR DIFFUSION, temperature 293K
Resolution 2.71 Å R-free 0.260
6MC1 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2018-08-30 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES
Resolution 2.70 Å R-free 0.227
6MC1 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2018-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES
Resolution 2.70 Å R-free 0.227
6MC1 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2018-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES
Resolution 2.70 Å R-free 0.227
6MC1 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2018-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES
Resolution 2.70 Å R-free 0.227
6MC1 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2018-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES
Resolution 2.70 Å R-free 0.227
6MC1 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2018-08-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES
Resolution 2.70 Å R-free 0.227
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350
Resolution 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350
Resolution 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350
Resolution 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350
Resolution 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350
Resolution 2.30 Å R-free 0.238
7U4O Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8K 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM sodium acetate, 35% w/v PEG3350
Resolution 2.30 Å R-free 0.238
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350
Resolution 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350
Resolution 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350
Resolution 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350
Resolution 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350
Resolution 3.14 Å R-free 0.225
7U4R Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-02-28 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded L8R 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；100 mM bis-Tris, pH 5.5, 200 mM ammonium acetate, 5% w/v PEG3350
Resolution 3.14 Å R-free 0.225
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350
Resolution 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350
Resolution 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350
Resolution 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350
Resolution 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350
Resolution 2.51 Å R-free 0.228
7UMU Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NUN 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM HEPES (pH 7.5) 200 mM ammonium acetate 25% (w/v) PEG 3350
Resolution 2.51 Å R-free 0.228
7UMV Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NUU 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；100 mM Tris, pH 7.5, 200 mM ammonium acetate, 40% w/v PEG3350
Resolution 1.80 Å R-free 0.172
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350
Resolution 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350
Resolution 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350
Resolution 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350
Resolution 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350
Resolution 3.00 Å R-free 0.214
7UN0 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NV3 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；100 mM HEPES, pH 7.0, 200 mM ammonium acetate, 25% w/v PEG3350
Resolution 3.00 Å R-free 0.214
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350
Resolution 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350
Resolution 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350
Resolution 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350
Resolution 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350
Resolution 2.70 Å R-free 0.263
7UN4 Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor Deposited 2022-04-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–467（148 aa） Fragment：UNP residues 320-467
Not recorded NVF 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；100 mM Tris, pH 8.5, 200 mM ammonium acetate, 20% w/v PEG3350
Resolution 2.70 Å R-free 0.263
7Y4B Crystal structure of DUSP10 mutant_D59A Deposited 2022-06-14 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa）
Mutation：D59A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；283 K；22.5%(w/v) PEG 3000, 100mM Tris base/Hydrochloric acid, 200mM Calcium acetate
Resolution 1.86 Å R-free 0.230
7Y4B Crystal structure of DUSP10 mutant_D59A Deposited 2022-06-14 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa）
Mutation：D59A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；283 K；22.5%(w/v) PEG 3000, 100mM Tris base/Hydrochloric acid, 200mM Calcium acetate
Resolution 1.86 Å R-free 0.230
7Y4C Crystal structure of DUSP10 Deposited 2022-06-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 320–467（148 aa）
Chain B 320–467（148 aa）
Chain C 320–467（148 aa）
Chain D 320–467（148 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；25% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 175 mM Calcium acetate
Resolution 1.87 Å R-free 0.268
7Y4D Crystal structure of DUSP10 mutant_S95A Deposited 2022-06-14 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa）
Mutation：S95A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；22.5% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 200 mM Calcium acetate
Resolution 2.18 Å R-free 0.230
7Y4D Crystal structure of DUSP10 mutant_S95A Deposited 2022-06-14 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa）
Mutation：S95A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；22.5% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 200 mM Calcium acetate
Resolution 2.18 Å R-free 0.230
7Y4E Crystal structure of DUSP10 mutant_N130A Deposited 2022-06-14 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa）
Mutation：N130A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；27.5% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 175mM Calcium acetate
Resolution 1.93 Å R-free 0.233
7Y4E Crystal structure of DUSP10 mutant_N130A Deposited 2022-06-14 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa）
Mutation：N130A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；283 K；27.5% (w/v) PEG 3000, 100 mM Tris base /Hydrochloric acid, 175mM Calcium acetate
Resolution 1.93 Å R-free 0.233
9BPN Crystal structure of the allosteric MKP5 mutant Y435W Deposited 2024-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–466（147 aa）
Mutation：Y435W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.40 Å R-free 0.288
9BPN Crystal structure of the allosteric MKP5 mutant Y435W Deposited 2024-05-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–466（147 aa）
Mutation：Y435W No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.40 Å R-free 0.288
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain J 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9BU4 Crystal structure of an MKP5 mutant, Y435W, in complex with an allosteric inhibitor Deposited 2024-05-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain I 320–466（147 aa）
Mutation：Y435W CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；295 K；0.1 M Tris, pH 8.5, 3 M sodium chloride
Resolution 2.90 Å R-free 0.266
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor Deposited 2025-03-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–466（147 aa） Fragment：UNP residues 320-466
Mutation：S446G CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000
Resolution 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor Deposited 2025-03-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–466（147 aa） Fragment：UNP residues 320-466
Mutation：S446G CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000
Resolution 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor Deposited 2025-03-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–466（147 aa） Fragment：UNP residues 320-466
Mutation：S446G CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000
Resolution 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor Deposited 2025-03-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–466（147 aa） Fragment：UNP residues 320-466
Mutation：S446G CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000
Resolution 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor Deposited 2025-03-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–466（147 aa） Fragment：UNP residues 320-466
Mutation：S446G CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000
Resolution 2.50 Å R-free 0.264
9NSB Crystal structure of an MKP5 allosteric loop mutant, S446G, in complex with an allosteric inhibitor Deposited 2025-03-16 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–466（147 aa） Fragment：UNP residues 320-466
Mutation：S446G CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2 M Tricine, pH 7.4, sodium hydroxide, PEG4000
Resolution 2.50 Å R-free 0.264
9NYM Crystal structure of an MKP5 allosteric loop mutant, N448A Deposited 2025-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–466（147 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；297 K；0.1 M Tris, pH 6.5, 2.0 M ammonium sulfate
Resolution 2.00 Å R-free 0.241
9NYM Crystal structure of an MKP5 allosteric loop mutant, N448A Deposited 2025-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–466（147 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；297 K；0.1 M Tris, pH 6.5, 2.0 M ammonium sulfate
Resolution 2.00 Å R-free 0.241
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor Deposited 2025-05-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–467（148 aa） Fragment：UNP residues 320-467
Mutation：P447V CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)
Resolution 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor Deposited 2025-05-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–467（148 aa） Fragment：UNP residues 320-467
Mutation：P447V CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)
Resolution 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor Deposited 2025-05-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–467（148 aa） Fragment：UNP residues 320-467
Mutation：P447V CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)
Resolution 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor Deposited 2025-05-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–467（148 aa） Fragment：UNP residues 320-467
Mutation：P447V CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)
Resolution 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor Deposited 2025-05-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–467（148 aa） Fragment：UNP residues 320-467
Mutation：P447V CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)
Resolution 3.00 Å R-free 0.239
9OK9 Crystal structure of an MKP5 allosteric loop mutant, P447V, in complex with an allosteric inhibitor Deposited 2025-05-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–467（148 aa） Fragment：UNP residues 320-467
Mutation：P447V CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；297 K；0.2 M ADA, pH 6.7 (buffer), 20% w/v PEG4000 (precipitant)
Resolution 3.00 Å R-free 0.239
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor Deposited 2025-08-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–466（147 aa）
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate
Resolution 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor Deposited 2025-08-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–466（147 aa）
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate
Resolution 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor Deposited 2025-08-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–466（147 aa）
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate
Resolution 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor Deposited 2025-08-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–466（147 aa）
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate
Resolution 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor Deposited 2025-08-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–466（147 aa）
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate
Resolution 2.95 Å R-free 0.241
9Q7X Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor Deposited 2025-08-25 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–466（147 aa）
Not recorded CJA 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 1.4 M sodium citrate tribasic dihydrate
Resolution 2.95 Å R-free 0.241
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain J 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245
9Y55 A crystal structure of DUSP10 loop mutant I445A Deposited 2025-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain I 320–466（147 aa） Fragment：CD domain (UNP residues 320-466)
Mutation：I445A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；0.1 M imidazole, pH 8.0, 2.5 M sodium chloride
Resolution 3.50 Å R-free 0.245

22 other PDB entries and 96 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DUS10_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–149； UniProt 320–467 Author chain B； PDBConstruct 2–149； UniProt 320–467 Author chain C； PDBConstruct 2–149； UniProt 320–467 Author chain D； PDBConstruct 2–149； UniProt 320–467 Author chain E； PDBConstruct 2–149； UniProt 320–467 Author chain F； PDBConstruct 2–149； UniProt 320–467

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.

SAXS scattering curve SAXS Profile

SAXS profile for 9o8w

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9o8w
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9o8w
Deposition date deposition_date2025-04-16
Structure title titleCrystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor
Keywords keywordsMKP5, allosteric inhibitor, allosteric site, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier35.57 Å
Radius of gyration Rg (electron density) rg_electron35.04 Å
Forward intensity I(0) i0156336000.00
Molecular weight molecular_weight102100.0 kDa
Excluded volume excluded_volume128280 ų
Envelope volume envelope_volume167280 ų
Hydration-shell volume shell_volume40864 ų
Envelope diameter envelope_diameter114.2 Å
Shell Rg shell_rg40.67 Å
Envelope Rg envelope_rg34.29 Å
Shape Rg shape_rg35.05 Å
Total Rg total_rg35.41 Å
Total atoms total_atoms14114
Residues n_residues884
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax113.1 Å
Rg (real space) rg_real35.49 Å
Rg uncertainty (real space) rg_real_error0.91 Å
I(0) (real space) i0_real1.5630e+08
I(0) uncertainty (real space) i0_real_error2.5210e+06
Rg (reciprocal space) rg_reciprocal35.55 Å
I(0) (reciprocal space) i0_reciprocal156300000.0000
Solution quality estimate total_estimate0.8351
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary46.2 Å
Skewness Skewness skewness0.164
Kurtosis Kurtosis kurtosis-0.633
Angular range angular_range— – 0.2200 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha16460000.0000
Real-space data points n_real_points45
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.953; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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8. Citations (1)

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9. Files and Curves (10)