9q7x

Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor

Method: X-RAY DIFFRACTION D_max: 107.8 Å Quality: EXCELLENT

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Dual specificity protein phosphatase 10

Homo sapiens

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 320–466	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
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 320–466	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
3	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain C； UniProt 320–466	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
4	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain D； UniProt 320–466	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
5	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain E； UniProt 320–466	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
6	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain F； UniProt 320–466	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

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 9Q7X	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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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）	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 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）	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 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）	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 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）	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 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）	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 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）	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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor Deposited 2025-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 320–467（148 aa）	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
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor Deposited 2025-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 320–467（148 aa）	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
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor Deposited 2025-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 320–467（148 aa）	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
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor Deposited 2025-04-16	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）	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
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor Deposited 2025-04-16	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 320–467（148 aa）	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
9O8W Crystal structure of an MKP5 mutant, Y435F, in complex with an allosteric inhibitor Deposited 2025-04-16	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）	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
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
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 2–148； UniProt 320–466 Author chain B； PDBConstruct 2–148； UniProt 320–466 Author chain C； PDBConstruct 2–148； UniProt 320–466 Author chain D； PDBConstruct 2–148； UniProt 320–466 Author chain E； PDBConstruct 2–148； UniProt 320–466 Author chain F； PDBConstruct 2–148； UniProt 320–466

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	9q7x
Deposition date deposition_date	2025-08-25
最后修订 last_revision	2025-09-10
Structure title title	Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor
Keywords keywords	MKP5, allosteric inhibitor, allosteric site, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	35.13 Å
Radius of gyration Rg (electron density) rg_electron	34.51 Å
Forward intensity I(0) i0	155559000.00
Molecular weight molecular_weight	102700.0 kDa
Excluded volume excluded_volume	129460 Å³
Envelope volume envelope_volume	164880 Å³
Hydration-shell volume shell_volume	40920 Å³
Envelope diameter envelope_diameter	109.6 Å
Shell Rg shell_rg	40.31 Å
Envelope Rg envelope_rg	34.10 Å
Shape Rg shape_rg	34.52 Å
Total Rg total_rg	34.88 Å
Total atoms total_atoms	14328
Residues n_residues	882
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	107.8 Å
Rg (real space) rg_real	35.01 Å
Rg uncertainty (real space) rg_real_error	0.73 Å
I(0) (real space) i0_real	1.5560e+08
I(0) uncertainty (real space) i0_real_error	2.4390e+06
Rg (reciprocal space) rg_reciprocal	35.09 Å
I(0) (reciprocal space) i0_reciprocal	155600000.0000
Solution quality estimate total_estimate	0.9095
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	45.5 Å
Skewness Skewness skewness	0.101
Kurtosis Kurtosis kurtosis	-0.703
Angular range angular_range	— – 0.2250 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	20060000.0000
Real-space data points n_real_points	46
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.977; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.890

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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8. Citations (1)

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Unit-cell length a length_a	65.860 Å
Unit-cell length b length_b	129.950 Å
Unit-cell length c length_c	84.010 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	91.38 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	12

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	triclinic

Resolution resolution	2.950 Å
Low-resolution limit resolution_low	65.840 Å
R factor r_factor	0.1845
R_work r_work	0.1813
R_free r_free	0.2408

Description description	Dual specificity protein phosphatase 10
Molecular weight formula_weight	17023.6 kDa
EC 编号 ec_number	3.1.3.16,3.1.3.48
Source method src_method	man
Copy count entity_count	6

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F
Atom count atom_count	14352

Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor

1. Protein Identity and Related Structures Protein Identity & Related Structures

Dual specificity protein phosphatase 10

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 non-polymer

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli BL21(DE3)

Description description	3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
Molecular weight formula_weight	364.5 kDa
Source method src_method	syn
Copy count entity_count	6

fit	/app/data/saxs_computation/q7/9q7x/9q7x.fit
pddf	/app/data/pr_computation/q7/9q7x/9q7x.pr.out
profile	/app/data/saxs_computation/q7/9q7x/9q7x.dat