6q9u

HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes

Method: X-RAY DIFFRACTION D_max: 49.0 Å Quality: GOOD

▼

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

Protein Mdm4

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 14–111	Fragment：N-terminal domain, p53 binding domain Mutation：C17S	HRE 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.3M AmSO4, 2% w/v 18-crown-ether, 0.1M HEPES	Resolution 2.40 Å R-free 0.265

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 6Q9U	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2CR8 Solution structure of the zf-RanBP domain of p53-binding protein Mdm4 Deposited 2005-05-20	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 300–339（40 aa） Fragment：zf-RanBP domain	Not recorded	ZN ZINC ION × 1	SOLUTION NMR NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 120mM；Pressure ambient NMR sample composition 0.42mM 13C, 15N-labeled protein; 20mM d-Tris-HCl (pH7.0); 200mM NaCl; 1mM d-DTT; 0.02% NaN3; 0.01mM ZnCl2 \| 90% H2O/10% D2O	Resolution not provided
2MWY Mdmx-p53 Deposited 2014-12-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 23–111（89 aa） Fragment：SWIB domain residues 23-111	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 200；Pressure ambient NMR sample composition 1.0 mM [U-100% 13C; U-100% 15N] protein 1, 1.2 mM protein 2, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2N06 Mdmx-298 Deposited 2015-03-04	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–111（89 aa） Fragment：UNP residues 23-111	Not recorded	44Z 4-[[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one × 1	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 200；Pressure ambient NMR sample composition 1.0 mM [U-100% 13C; U-100% 15N] entity_1-1, 1.0 mM SJ298-2, 0.2 mM sodium chloride-3, 0.01 mM DTT-4, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2N0U Mdmx-057 Deposited 2015-03-17	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–111（89 aa） Fragment：UNP residues 23-111	Not recorded	48M 4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile × 1	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 200；Pressure ambient NMR sample composition 0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_2, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2N0W Mdmx-SJ212 Deposited 2015-03-17	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–111（89 aa） Fragment：UNP residues 23-111	Not recorded	48L 4-({(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one × 1	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 200；Pressure ambient NMR sample composition 0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_2, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2N14 Mdmx-295 Deposited 2015-03-20	Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–111（89 aa） Fragment：UNP residues 23-111	Not recorded	49H 4-({(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one × 1	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 200；Pressure ambient NMR sample composition 0.5 mM [U-100% 13C; U-100% 15N] protein_1, 0.6 mM protein_2, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
2VJE Crystal Structure of the MDM2-MDMX RING Domain Heterodimer Deposited 2007-12-10	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 428–490（63 aa） Fragment：RESIDUES 428-490	Not recorded	ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；1.8 M NH4(SO4)2, 0.5 M NACL, 0.1 M NA CITRATE, PH 6.5	Resolution 2.20 Å R-free 0.223
2VJE Crystal Structure of the MDM2-MDMX RING Domain Heterodimer Deposited 2007-12-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 428–490（63 aa） Fragment：RESIDUES 428-490	Not recorded	ZN ZINC ION × 4 FLC CITRATE ANION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；1.8 M NH4(SO4)2, 0.5 M NACL, 0.1 M NA CITRATE, PH 6.5	Resolution 2.20 Å R-free 0.223
2VJF Crystal Structure of the MDM2-MDMX RING Domain Heterodimer Deposited 2007-12-10	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 428–490（63 aa） Fragment：RESIDUES 428-490	Not recorded	ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；1.8 M NH4(SO4)2, 0.5 M NACL, 0.1 M NA CITRATE, PH 6.5	Resolution 2.30 Å R-free 0.234
2VJF Crystal Structure of the MDM2-MDMX RING Domain Heterodimer Deposited 2007-12-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 428–490（63 aa） Fragment：RESIDUES 428-490	Not recorded	ZN ZINC ION × 4 FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；1.8 M NH4(SO4)2, 0.5 M NACL, 0.1 M NA CITRATE, PH 6.5	Resolution 2.30 Å R-free 0.234
2VYR Structure of human MDM4 N-terminal domain bound to a single domain antibody Deposited 2008-07-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric	Chain A 16–116（101 aa） Fragment：RESIDUES 16-116 Chain B 16–116（101 aa） Fragment：RESIDUES 16-116 Chain C 16–116（101 aa） Fragment：RESIDUES 16-116 Chain D 16–116（101 aa） Fragment：RESIDUES 16-116	Not recorded	SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；SE-MET: 20% PEG 3350, 0.2 M MGCL2, 1MM TRIS PH 7.0, 5MM B-ME, PROTEIN 10MG/ML. NATIVE: 1.6M AMMONIUM SULPHATE, 0.5M LITHIUM CHLORIDE, 1MM TRIS, PH 7.0, 5MM B-ME, PROTEIN 10MG/ML	Resolution 2.00 Å R-free 0.248
3DAB Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain Deposited 2008-05-29	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 A 23–111（89 aa） Fragment：UNP residues 23-111	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；300 K；25% PEG3350, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.90 Å R-free 0.257
3DAB Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain Deposited 2008-05-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 23–111（89 aa） Fragment：UNP residues 23-111	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；300 K；25% PEG3350, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.90 Å R-free 0.257
3DAB Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain Deposited 2008-05-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 23–111（89 aa） Fragment：UNP residues 23-111	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；300 K；25% PEG3350, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.90 Å R-free 0.257
3DAB Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain Deposited 2008-05-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 23–111（89 aa） Fragment：UNP residues 23-111	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；300 K；25% PEG3350, 0.1M MES, pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.90 Å R-free 0.257
3EQY Crystal structure of human MDMX in complex with a 12-mer peptide inhibitor Deposited 2008-10-01	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 A 24–108（85 aa） Fragment：UNP residues residues 24-108	Mutation：Q68A, Q69A, E70A	GAI GUANIDINE × 1 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M HEPES, 0.8 M sodium phosphate, 0.8 M potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.63 Å R-free 0.169
3EQY Crystal structure of human MDMX in complex with a 12-mer peptide inhibitor Deposited 2008-10-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 24–108（85 aa） Fragment：UNP residues residues 24-108	Mutation：Q68A, Q69A, E70A	GAI GUANIDINE × 1 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M HEPES, 0.8 M sodium phosphate, 0.8 M potassium phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.63 Å R-free 0.169
3FDO Structure of human MDMX in complex with high affinity peptide Deposited 2008-11-26	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 23–111（89 aa） Fragment：p53 binding domain, UNP residues 23-111	Not recorded	MG MAGNESIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；290 K；4.3M NaCl, 100mM Hepes, pH7.3, VAPOR DIFFUSION, SITTING DROP, temperature 290K	Resolution 1.40 Å R-free 0.247
3FDO Structure of human MDMX in complex with high affinity peptide Deposited 2008-11-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 23–111（89 aa） Fragment：p53 binding domain, UNP residues 23-111	Not recorded	MG MAGNESIUM ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；290 K；4.3M NaCl, 100mM Hepes, pH7.3, VAPOR DIFFUSION, SITTING DROP, temperature 290K	Resolution 1.40 Å R-free 0.247
3FDO Structure of human MDMX in complex with high affinity peptide Deposited 2008-11-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 23–111（89 aa） Fragment：p53 binding domain, UNP residues 23-111	Not recorded	MG MAGNESIUM ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；290 K；4.3M NaCl, 100mM Hepes, pH7.3, VAPOR DIFFUSION, SITTING DROP, temperature 290K	Resolution 1.40 Å R-free 0.247
3FE7 Crystal Structure of HdmX bound to the p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-Trp-Glu-Ac3c-Leu-NH2 at 1.35A Deposited 2008-11-28	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 A 14–111（98 aa） Fragment：N-terminal domain, UNP residues 14-111	Mutation：C17S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；3.1M AmSo4, 1% MPD, 4% polypropyleneglycol, 0.1M MES, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.35 Å R-free 0.209
3FEA Crystal Structure of HdmX bound to the p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2 at 1.33A Deposited 2008-11-28	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 A 14–111（98 aa） Fragment：N-terminal domain, UNP residues 14-111	Mutation：C17S	MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；3.1M AmSo4, 1% MPD, 0.1M MES, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.33 Å R-free 0.206
3JZO Human MDMX liganded with a 12mer peptide (pDI) Deposited 2009-09-23	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 A 23–111（89 aa）	Not recorded	K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；292 K；1.4 M Na/K phosphate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 1.80 Å R-free 0.207
3JZP Human MDMX liganded with a 12mer peptide inhibitor (pDI6W) Deposited 2009-09-24	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 A 23–111（89 aa）	Not recorded	K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；292 K；1.4 M Na/K phosphate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 1.74 Å R-free 0.217
3JZQ Human MDMX liganded with a 12mer peptide inhibitor (pDIQ) Deposited 2009-09-24	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 A 23–111（89 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；292 K；2.1 M ammonium sulfate, 10 mM Tris HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 1.80 Å R-free 0.224
3JZQ Human MDMX liganded with a 12mer peptide inhibitor (pDIQ) Deposited 2009-09-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 23–111（89 aa）	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；292 K；2.1 M ammonium sulfate, 10 mM Tris HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 1.80 Å R-free 0.224
3LBJ Structure of human MDMX protein in complex with a small molecule inhibitor Deposited 2010-01-08	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 E 23–111（89 aa） Fragment：p53 binding domain	Not recorded	WW8 N-[(3S)-1-({6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-1H-indol-2-yl}carbonyl)pyrrolidin-3-yl]-N,N',N'-trimethylpropane-1,3-diamine × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；300 K；0.2M Na/K-tartrate, 0.1M Tri-sodium-citrate, 2M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 300K	Resolution 1.50 Å R-free 0.206
3U15 Structure of hDMX with Dimer Inducing Indolyl Hydantoin RO-2443 Deposited 2011-09-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 14–111（98 aa） Fragment：unp residues 14-111 Chain B 14–111（98 aa） Fragment：unp residues 14-111	Mutation：C17S Mutation：C17S	03M (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；1.4-2.0M ammonium sulfate 1.4-2.0M NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.80 Å R-free 0.238
3U15 Structure of hDMX with Dimer Inducing Indolyl Hydantoin RO-2443 Deposited 2011-09-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 14–111（98 aa） Fragment：unp residues 14-111 Chain D 14–111（98 aa） Fragment：unp residues 14-111	Mutation：C17S Mutation：C17S	03M (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；1.4-2.0M ammonium sulfate 1.4-2.0M NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.80 Å R-free 0.238
4RXZ Crystal Structure of MDMX phosporylated Tyr99 in complex with a 12-mer peptide Deposited 2014-12-12	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 A 24–108（85 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；12% isopropanol, 0.1M MES pH 6.5 and 10% PEG5000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.55 Å R-free 0.220
4RXZ Crystal Structure of MDMX phosporylated Tyr99 in complex with a 12-mer peptide Deposited 2014-12-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 24–108（85 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；12% isopropanol, 0.1M MES pH 6.5 and 10% PEG5000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.55 Å R-free 0.220
5MNJ Structure of MDM2-MDMX-UbcH5B-ubiquitin complex Deposited 2016-12-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain D 427–490（64 aa）	Not recorded	ZN ZINC ION × 4 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；0.1 M Tris-HCl, pH 8.5, 0.175 M Li2SO4 and 16-20 %(v/v) PEG 3350	Resolution 2.16 Å R-free 0.231
5MNJ Structure of MDM2-MDMX-UbcH5B-ubiquitin complex Deposited 2016-12-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain H 427–490（64 aa）	Not recorded	ZN ZINC ION × 4 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；0.1 M Tris-HCl, pH 8.5, 0.175 M Li2SO4 and 16-20 %(v/v) PEG 3350	Resolution 2.16 Å R-free 0.231
5UML CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3 Deposited 2017-01-27	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 A 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A,Q69A,E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；14% (v/v) 2-Propanol ,70 mM Sodium acetate/ Hydrochloric acid pH 4.6, 140 mM Calcium chloride, 30% (v/v) Glycerol	Resolution 3.00 Å R-free 0.315
5UML CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3 Deposited 2017-01-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A,Q69A,E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；14% (v/v) 2-Propanol ,70 mM Sodium acetate/ Hydrochloric acid pH 4.6, 140 mM Calcium chloride, 30% (v/v) Glycerol	Resolution 3.00 Å R-free 0.315
5UML CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3 Deposited 2017-01-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A,Q69A,E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；14% (v/v) 2-Propanol ,70 mM Sodium acetate/ Hydrochloric acid pH 4.6, 140 mM Calcium chloride, 30% (v/v) Glycerol	Resolution 3.00 Å R-free 0.315
5UML CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH 12-MER PEPTIDE INHIBITOR M3 Deposited 2017-01-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A,Q69A,E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；14% (v/v) 2-Propanol ,70 mM Sodium acetate/ Hydrochloric acid pH 4.6, 140 mM Calcium chloride, 30% (v/v) Glycerol	Resolution 3.00 Å R-free 0.315
5VK1 Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI Deposited 2017-04-20	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 A 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；30% 2-propanol, 30% PEG 3350, and 100 mM Tris-HCl pH 8.5	Resolution 2.69 Å R-free 0.335
5VK1 Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI Deposited 2017-04-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；30% 2-propanol, 30% PEG 3350, and 100 mM Tris-HCl pH 8.5	Resolution 2.69 Å R-free 0.335
5VK1 Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI Deposited 2017-04-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；30% 2-propanol, 30% PEG 3350, and 100 mM Tris-HCl pH 8.5	Resolution 2.69 Å R-free 0.335
5VK1 Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI Deposited 2017-04-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；30% 2-propanol, 30% PEG 3350, and 100 mM Tris-HCl pH 8.5	Resolution 2.69 Å R-free 0.335
5VK1 Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI Deposited 2017-04-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain I 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；30% 2-propanol, 30% PEG 3350, and 100 mM Tris-HCl pH 8.5	Resolution 2.69 Å R-free 0.335
5VK1 Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI Deposited 2017-04-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain K 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；30% 2-propanol, 30% PEG 3350, and 100 mM Tris-HCl pH 8.5	Resolution 2.69 Å R-free 0.335
5VK1 Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI Deposited 2017-04-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain M 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；30% 2-propanol, 30% PEG 3350, and 100 mM Tris-HCl pH 8.5	Resolution 2.69 Å R-free 0.335
5VK1 Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI Deposited 2017-04-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain O 24–108（85 aa） Fragment：residues 24-108	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；294 K；30% 2-propanol, 30% PEG 3350, and 100 mM Tris-HCl pH 8.5	Resolution 2.69 Å R-free 0.335
6Q9Q HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HUE 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.6M AmSO4, 4% w/v 18-crown-ether, 0.1M HEPES	Resolution 2.10 Å R-free 0.252
6Q9Q HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HUE 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 2 SO4 SULFATE ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.6M AmSO4, 4% w/v 18-crown-ether, 0.1M HEPES	Resolution 2.10 Å R-free 0.252
6Q9Q HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HUE 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.6M AmSO4, 4% w/v 18-crown-ether, 0.1M HEPES	Resolution 2.10 Å R-free 0.252
6Q9Q HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 13 AT 2.1A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HUE 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.6M AmSO4, 4% w/v 18-crown-ether, 0.1M HEPES	Resolution 2.10 Å R-free 0.252
6Q9S HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HRN 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 4 SO4 SULFATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.25M AmSO4, 6% w/v 18-crown-ether, 0.1M HEPES	Resolution 2.40 Å R-free 0.268
6Q9S HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HRN 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 7 SO4 SULFATE ION × 2 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.25M AmSO4, 6% w/v 18-crown-ether, 0.1M HEPES	Resolution 2.40 Å R-free 0.268
6Q9S HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 14 AT 2.4A: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HRN 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.25M AmSO4, 6% w/v 18-crown-ether, 0.1M HEPES	Resolution 2.40 Å R-free 0.268
6Q9W X-ray structure of compound 15 bound to HdmX: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HRT (4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one × 1 SO4 SULFATE ION × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.25M AmSO4, 4% w/v 18-crown-ether, 0.1M HEPES	Resolution 1.55 Å R-free 0.240
6Q9W X-ray structure of compound 15 bound to HdmX: Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HRT (4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one × 1 SO4 SULFATE ION × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.25M AmSO4, 4% w/v 18-crown-ether, 0.1M HEPES	Resolution 1.55 Å R-free 0.240
6Q9Y HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HRQ 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；2.5M AmSO4, 0.1M KSCN, 1% v/v MPD, 0.1M MES	Resolution 1.20 Å R-free 0.184
6Q9Y HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes Deposited 2018-12-18	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 14–111（98 aa） Fragment：N-terminal domain, p53 binding domain	Mutation：C17S	HRQ 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；2.5M AmSO4, 0.1M KSCN, 1% v/v MPD, 0.1M MES	Resolution 1.20 Å R-free 0.184
6YR5 14-3-3 sigma in complex with hDMX-367 peptide Deposited 2020-04-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain O 361–374（14 aa） Chain P 361–374（14 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1M Bis-Tris propane pH 7, 0.2 M Sodium citrate, 20% PEG3350	Resolution 2.25 Å R-free 0.222
6YR5 14-3-3 sigma in complex with hDMX-367 peptide Deposited 2020-04-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain Q 361–374（14 aa） Chain R 361–374（14 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1M Bis-Tris propane pH 7, 0.2 M Sodium citrate, 20% PEG3350	Resolution 2.25 Å R-free 0.222
6YR7 14-3-3 sigma in complex with hDMX-342+367 peptide Deposited 2020-04-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 335–374（40 aa） Chain Q 335–374（40 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；Sodium citrate tribasic dihydrate, PEG3350, Bis-Tris propane pH8	Resolution 2.10 Å R-free 0.246
7C3Q Human MdmX protein in complex with Nutlin3a Deposited 2020-05-13	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 23–108（86 aa）	Not recorded	O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 1 NUT 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M HEPES sodium salt pH 7.5, 1.6 M Ammonium sulfate, 2%(w/v) PEG 1000	Resolution 1.80 Å R-free 0.241
7C3Y Crystal structure of the N-terminal domain of human MdmX protein in complex with Nutlin3a Deposited 2020-05-14	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 23–108（86 aa）	Not recorded	O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 1 NUT 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；20% v/v Tacsimate pH 7.0, 0.1 M HEPES sodium salt pH 7.5, 2% (w/v) PEG 200	Resolution 1.63 Å R-free 0.227
7C44 Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a Deposited 2020-05-15	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 23–108（86 aa）	Not recorded	NUT 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；20% v/v Tacsimate pH 7.0, 0.1 M HEPES sodium salt pH 7.5, 2% (w/v) PEG 200	Resolution 1.65 Å R-free 0.265
7EL4 The crystal structure of p53p peptide fragment in complex with the N-terminal domain of MdmX Deposited 2021-04-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 23–111（89 aa）	Not recorded	O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.16；291 K；0.1 M MES pH 6.5, 2 M MgSO4	Resolution 2.11 Å R-free 0.225
7KJN CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA) Deposited 2020-10-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 24–108（85 aa）	Mutation：Q68A, Q69A, E70A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；4M sodium chloride, 5% isopropanol, 0.1M HEPES pH 7.5	Resolution 2.80 Å R-free 0.244
7MLA Solution NMR structure of HDMX in complex with Zn and MCo-52-2 Deposited 2021-04-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 428–490（63 aa）	Not recorded	ZN ZINC ION × 2	SOLUTION NMR NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 0.15；Pressure 1 NMR sample composition 0.100 mM [U-100% 13C; U-100% 15N] Hdmx, 0.100 mM MCo-52-2, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.100 mM Hdmx, 0.100 mM [U-100% 13C; U-100% 15N] MCo-52-2, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
8IA5 Small peptide enhances the binding of nutline-3a to N-terminal domain of MdmX Deposited 2023-02-07	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 A 23–111（89 aa）	Not recorded	NUT 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one × 1 O4B 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1M HEPES pH6.0, 1.6M Ammonium sulfate	Resolution 1.93 Å R-free 0.284

36 other PDB entries and 66 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	MDM4_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–100； UniProt 14–111

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

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	6q9u
Deposition date deposition_date	2018-12-18
Structure title title	HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 12 AT 2.4A; Structural states of Hdm2 and HdmX: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
Keywords keywords	HDMX, MDM4, APOPTOSIS; APOPTOSIS
Experimental Method method	X-RAY DIFFRACTION

▼

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

Radius of gyration Rg (Guinier) rg_guinier	14.22 Å
Radius of gyration Rg (electron density) rg_electron	12.80 Å
Forward intensity I(0) i0	2266090.00
Molecular weight molecular_weight	10677.0 kDa
Excluded volume excluded_volume	13534 Å³
Envelope volume envelope_volume	14797 Å³
Hydration-shell volume shell_volume	10088 Å³
Envelope diameter envelope_diameter	48.1 Å
Shell Rg shell_rg	18.21 Å
Envelope Rg envelope_rg	13.26 Å
Shape Rg shape_rg	12.77 Å
Total Rg total_rg	14.20 Å
Total atoms total_atoms	747
Residues n_residues	86
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

▼

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

Maximum dimension Dmax dmax	49.0 Å
Rg (real space) rg_real	14.16 Å
Rg uncertainty (real space) rg_real_error	0.35 Å
I(0) (real space) i0_real	2.2660e+06
I(0) uncertainty (real space) i0_real_error	2.6060e+04
Rg (reciprocal space) rg_reciprocal	14.17 Å
I(0) (reciprocal space) i0_reciprocal	2266000.0000
Solution quality estimate total_estimate	0.8618
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	18.0 Å
Skewness Skewness skewness	0.243
Kurtosis Kurtosis kurtosis	-0.198
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	359100.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.738; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.993

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Protein Mdm4
Molecular weight formula_weight	11187.0 kDa
Mutation mutation	C17S
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	793

GPDSASRISPGQINQVRPKLPLLKILHAAGAQGEMFTVKEVMHYLGQYIMVKQLYDQQEQHMVYCGGDLLGELLGRQSFSVKDPSPLYDMLRKNLVTLAT

来源 Source

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

Entity 2 Entity 2 non-polymer

Description description	;4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile ;
Molecular weight formula_weight	545.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
Molecular weight formula_weight	264.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	46

▼

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d6q9ua_
Class class	a — All alpha proteins
Fold Fold fold	a.42 — SWIB/MDM2 domain
Superfamily Superfamily superfamily	a.42.1 — SWIB/MDM2 domain
Family Family family	a.42.1.0 — automated matches

CATH v4.4 (1 domains)

Domain ID domain_id	6q9uA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	245 — MDM2
Homologous superfamily homologous superfamily	10 — SWIB/MDM2 domain

▶

8. Citations (1)

▶

Unit-cell length a length_a	45.403 Å
Unit-cell length b length_b	45.403 Å
Unit-cell length c length_c	55.825 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 41
Space-group number int_tables_number	76
Crystal system crystal_system	—

Resolution resolution	2.400 Å
Low-resolution limit resolution_low	19.080 Å
R factor r_factor	0.2083
R_work r_work	0.2054
R_free r_free	0.2654

fit	/app/data/saxs_computation/q9/6q9u/6q9u.fit
pddf	/app/data/pr_computation/q9/6q9u/6q9u.pr.out
profile	/app/data/saxs_computation/q9/6q9u/6q9u.dat