4grq

Characterization of N- and C- terminus mutants of human MIF

Method: X-RAY DIFFRACTION D_max: 59.7 Å Quality: GOOD

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

Macrophage migration inhibitory factor

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 homooligomer Homooligomer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count	Chain A； UniProt 2–115 Chain B； UniProt 2–115 Chain C； UniProt 2–115	Mutation：Pro1-Ala2 are insertions	CL CHLORIDE ION × 6 SO4 SULFATE ION × 1 AVL 2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.5；310 K；1.6M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K	Resolution 1.65 Å R-free 0.161

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 4GRQ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1CA7 MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH HYDROXPHENYLPYRUVATE Deposited 1999-02-25	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	EN1 (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.0	Resolution 2.50 Å R-free 0.263
1CGQ MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH ALANINE INSERTED BETWEEN PRO-1 AND MET-2 Deposited 1999-03-25	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：INS(A-M2) Mutation：INS(A-M2) Mutation：INS(A-M2)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 2.00 Å R-free 0.275
1GCZ MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) COMPLEXED WITH INHIBITOR. Deposited 2000-08-24	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 10 CIT CITRIC ACID × 3 YZ9 7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；ammonium sulfate, sodium citrate, pH 5.0, vapor diffusion/hanging drop, temperature 298.0K	Resolution 1.90 Å R-free 0.240
1GD0 HUMAN MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) Deposited 2000-08-24	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 7 CIT CITRIC ACID × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；ammonium sulfate, sodium citrate, pH 5.0, vapor diffusion : hanging drop, temperature 298.0K	Resolution 1.50 Å R-free 0.214
1GIF HUMAN GLYCOSYLATION-INHIBITING FACTOR Deposited 1996-02-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–114（114 aa） Chain B 1–114（114 aa） Chain C 1–114（114 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å
1LJT Crystal Structure of Macrophage Migration Inhibitory Factor complexed with (S,R)-3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester (ISO-1) Deposited 2002-04-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–114（114 aa） Chain B 1–114（114 aa） Chain C 1–114（114 aa）	Not recorded	HDI 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；ammonium sulfate, isopropanol, Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.00 Å R-free 0.262
1MIF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) Deposited 1996-01-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–115（115 aa） Chain B 1–115（115 aa） Chain C 1–115（115 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.60 Å
1P1G MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH PRO-1 MUTATED TO GLY-1 Deposited 1999-03-24	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：P1G Mutation：P1G Mutation：P1G	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 2.50 Å R-free 0.270
2OOH Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11 Deposited 2007-01-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–114（114 aa） Chain B 1–114（114 aa） Chain C 1–114（114 aa）	Not recorded	SO4 SULFATE ION × 8 OX3 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；50% saturated ammonium sulfate, 4% isopropanol, 0.1 M tris(hydroxymethyl)aminomethane,mixed with protein:inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 1.85 Å R-free 0.218
2OOW MIF Bound to a Fluorinated OXIM Derivative Deposited 2007-01-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–114（114 aa） Chain B 1–114（114 aa） Chain C 1–114（114 aa）	Not recorded	SO4 SULFATE ION × 5 OX4 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME × 2 GOL GLYCEROL × 6 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；50% saturated ammonium sulfate, 4% isopropanol, 0.1 M tris(hydroxymethyl)aminomethan; mixed with protein:inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 1.75 Å R-free 0.204
2OOZ Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group) Deposited 2007-01-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–114（114 aa） Chain B 1–114（114 aa） Chain C 1–114（114 aa）	Not recorded	SO4 SULFATE ION × 5 OX5 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME × 2 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；50% saturated ammonium sulfate, 4% isopropanol, 0.1 M tris(hydroxymethyl)aminomethan; mixed with protein:inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 1.80 Å R-free 0.225
3B9S Macrophage Migration Inhibitory Factor (MIF) complexed with Inhibitor, 4-IPP. Deposited 2007-11-06	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	GOL GLYCEROL × 3 RW1 4-phenylpyrimidine × 3 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2M ammonium sulfate, 4% isopropanol, 0.1 M tris(hydroxymethyl)aminomethan; mixed with protein:inhibitor complex in a 1:10 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.80 Å R-free 0.230
3CE4 Structure of Macrophage Migration Inhibitory Factor Covalently Inhibited by PMSF Treatment Deposited 2008-02-28	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 5 PMF PHENYLMETHYLSULFONYL FLUORIDE × 3 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；293 K；50% saturated ammonium sulfate, 4% isopropanol, 0.1M tris(hydroxymethyl)aminomethane; mixed with protein:inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.55 Å R-free 0.209
3DJH Macrophage Migration Inhibitory Factor (MIF) at 1.25 A Resolution Deposited 2008-06-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 6 GOL GLYCEROL × 4 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；50% Saturated ammonium sulfate, 3% Isopropanol, 0.1 M Tris(hydroxymethyl)aminomethane, mixed with protein in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 1.25 Å R-free 0.186
3DJI Crystal Structure of Macrophage Migration Inhibitory Factor Bound to an Acetaminophen Dimer Derived from NAPQI Deposited 2008-06-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 9 3E1 N,N'-(6,6'-dihydroxybiphenyl-3,3'-diyl)diacetamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；2 M Ammonium sulfate, 3% Isopropanol, 0.1 M Tris(hydroxymethyl)aminomethane, mixed with protein-inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 1.95 Å R-free 0.247
3DJI Crystal Structure of Macrophage Migration Inhibitory Factor Bound to an Acetaminophen Dimer Derived from NAPQI Deposited 2008-06-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain D 2–115（114 aa） Chain E 2–115（114 aa） Chain F 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；2 M Ammonium sulfate, 3% Isopropanol, 0.1 M Tris(hydroxymethyl)aminomethane, mixed with protein-inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 1.95 Å R-free 0.247
3HOF Structure of macrophage migration inhibitory factor (MIF) with caffeic acid at 1.9A resolution Deposited 2009-06-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–115（115 aa） Chain B 1–115（115 aa） Chain C 1–115（115 aa）	Not recorded	DHC CAFFEIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；30-42.5% MPD_P1K_P3350 mix (MDL Morpheus screen), 0.1M buffer 1 mix (MDL morpheus screen), pH 5.5-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 1.90 Å R-free 0.200
3IJG Macrophage Migration Inhibitory Factor (MIF) Bound to the (R)-Stereoisomer of AV1013 Deposited 2009-08-04	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 10 AVR (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；2 M ammonium sulfate, 3% isopropanol, 0.5 M NaCl, 0.1 M tris(hydroxymethyl)aminomethane; mixed with protein:inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K	Resolution 1.70 Å R-free 0.206
3IJJ Ternary Complex of Macrophage Migration Inhibitory Factor (MIF) Bound Both to 4-hydroxyphenylpyruvate and to the Allosteric Inhibitor AV1013 (R-stereoisomer) Deposited 2009-08-04	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	EN1 (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid × 3 ENO 3-(4-HYDROXY-PHENYL)PYRUVIC ACID × 3 CL CHLORIDE ION × 8 AVR (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；2 M ammonium sulfate, 3% isopropanol, 0.5 M NaCl, 0.1 M tris(hydroxymethyl)aminomethane; mixed in a 1:1 ratio with the protein:substrate:inhibitor complex, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K	Resolution 1.25 Å R-free 0.185
3JSF Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution Deposited 2009-09-10	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	XV1 7-(2-fluorobenzyl)quinolin-8-ol × 3 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.5 M AMMONIUM SULFATE, 2 mM EDTA, 0.1 M HEPES, PH 6.5, VAPOR DIFFUSION/HANGING DROP, TEMPERATURE 298.0K , VAPOR DIFFUSION, HANGING DROP	Resolution 1.93 Å R-free 0.218
3JSG Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 707 at 1.58a resolution Deposited 2009-09-10	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	0IN 7-(pyridin-3-ylmethyl)quinolin-8-ol × 3 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.5 M AMMONIUM SULFATE, 2 mM EDTA, 0.1 M HEPES, PH 6.5, VAPOR DIFFUSION/HANGING DROP, TEMPERATURE 298.0K , VAPOR DIFFUSION, HANGING DROP	Resolution 1.58 Å R-free 0.201
3JTU Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution Deposited 2009-09-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	ZIN 7-(pyridin-2-ylmethyl)quinolin-8-ol × 3 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.5 M AMMONIUM SULFATE, 2 mM EDTA, 0.1 M HEPES, PH 6.5, VAPOR DIFFUSION/HANGING DROP, , VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.86 Å R-free 0.192
3L5P Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyridazinol inhibitor at 1.80A resolution Deposited 2009-12-22	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	428 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.6 M AMMONIUM SULFATE, 0.1 M HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.80 Å R-free 0.221
3L5R Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution Deposited 2009-12-22	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	47X 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one × 1 SO4 SULFATE ION × 5 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.6 M AMMONIUM SULFATE, 0.1 M HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.94 Å R-free 0.233
3L5S Crystal structure of macrophage migration inhibitory factor (MIF) with imidazopyrimidinylphenyl inhibitor at 1.86A resolution Deposited 2009-12-22	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	88X 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.6 M AMMONIUM SULFATE, 0.1 M HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.86 Å R-free 0.201
3L5T Crystal structure of macrophage migration inhibitory factor (MIF) with thiophenepiperazinylquinolinone inhibitor at 1.86A resolution Deposited 2009-12-22	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	956 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.6 M AMMONIUM SULFATE, 0.1 M HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.86 Å R-free 0.214
3L5U Crystal structure of macrophage migration inhibitory factor (MIF) with benzothiazole inhibitor at 1.90A resolution Deposited 2009-12-22	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	ZEC 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE × 3 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.6 M AMMONIUM SULFATE, 0.1 M HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.90 Å R-free 0.209
3L5V Crystal structure of macrophage migration inhibitory factor (MIF) with glycerol at 1.70A resolution Deposited 2009-12-22	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	GOL GLYCEROL × 3 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.6 M AMMONIUM SULFATE, 0.1 M HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.70 Å R-free 0.211
3SMB Phenethylisothiocyanate Covalently Bound to Macrophage Migration Inhibitory Factor (MIF) Deposited 2011-06-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	LE2 N-(2-phenylethyl)thioformamide × 3 CL CHLORIDE ION × 9 NA SODIUM ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% isopropanol, 0.1 M tris(hydroxymethyl)aminomethane; mixed with protein:inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.60 Å R-free 0.197
3SMC Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound L-sulforaphane Deposited 2011-06-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	LE3 N-{4-[(R)-methylsulfinyl]butyl}thioformamide × 3 CL CHLORIDE ION × 7 NA SODIUM ION × 4 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% isopropanol, 0.1 M tris(hydroxymethyl)aminomethane; mixed with protein:inhibitor complex in a 1:1 ratio, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.80 Å R-free 0.186
3U18 Chicago Sky Blue 6B, A Novel Inhibitor for Macrophage Migration Inhibitory Factor Deposited 2011-09-29	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	Y0X 6,6'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(4-amino-5-hydroxynaphthalene-1,3-disulfonic acid) × 1 IPA ISOPROPYL ALCOHOL × 4 GOL GLYCEROL × 9 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 4 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8；310 K；100 mM p425 dissolved in 2.0 M ammonium sulfate, 4% 2-propanol, 0.1 M Tris, VAPOR DIFFUSION, temperature 310K, pH 8	Resolution 1.90 Å R-free 0.177
3WNR Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor Deposited 2013-12-16	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	9BE N-benzylthioformamide × 3 SO4 SULFATE ION × 5 GOL GLYCEROL × 5 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.9M ammonium sulfate, 100mM Tris pH 8.0, 200mM NaCl, 4%(v/v) 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.01 Å R-free 0.200
3WNS Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor Deposited 2013-12-16	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	9AI N-prop-2-en-1-ylthioformamide × 3 SO4 SULFATE ION × 6 IPA ISOPROPYL ALCOHOL × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.9M ammonium sulfate, 100mM Tris pH 8.0, 200mM NaCl, 4%(v/v) 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.66 Å R-free 0.258
3WNT Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor Deposited 2013-12-16	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	9BE N-benzylthioformamide × 3 SO4 SULFATE ION × 5 IPA ISOPROPYL ALCOHOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.9M ammonium sulfate, 100mM Tris pH 8.0, 200mM NaCl, 4%(v/v) 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.07 Å R-free 0.263
4ETG Crystal Structure of MIF L46G mutant Deposited 2012-04-24	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：L46G Mutation：L46G Mutation：L46G	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；1.8M Ammonium sulfate in 0.1M Tris and 3% isopropanol, pH 7.5, VAPOR DIFFUSION, temperature 291K	Resolution 1.61 Å R-free 0.249
4EUI Crystal Structure of MIF L46F mutant Deposited 2012-04-25	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：L46F Mutation：L46F Mutation：L46F	SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；1.8M Ammonium sulfate in 0.1M Tris and 3% isopropanol, pH 7.5, VAPOR DIFFUSION, temperature 291K	Resolution 1.70 Å R-free 0.259
4EVG Crystal Structure of MIF L46A mutant Deposited 2012-04-26	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：L46A Mutation：L46A Mutation：L46A	SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；291 K；1.8M Ammonium sulfate in 0.1M Tris (pH 7.5) and 3% isopropanol, VAPOR DIFFUSION, temperature 291K	Resolution 1.70 Å R-free 0.214
4F2K Macrophage Migration Inhibitory Factor covalently complexed with phenethylisothiocyanate Deposited 2012-05-08	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	LE2 N-(2-phenylethyl)thioformamide × 3 SO4 SULFATE ION × 4 IPA ISOPROPYL ALCOHOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；1.9M (NH4)2SO4, 100mM Tris pH 8.0, 200mM NaCl, 4% v/v isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.53 Å R-free 0.228
4GRN crystal structure of PAAM mutant of human MIF Deposited 2012-08-26	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 12 SO4 SULFATE ION × 4 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；2M NH42SO4, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.25 Å R-free 0.141
4GRO Crystallographic and biological characterization of N- and C- terminus mutants of human MIF Deposited 2012-08-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa）	Mutation：Pro1-Ala2 are insertions	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；2.0 ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.230
4GRO Crystallographic and biological characterization of N- and C- terminus mutants of human MIF Deposited 2012-08-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain B 2–115（114 aa） Chain C 2–115（114 aa） Chain D 2–115（114 aa）	Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions	CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；2.0 ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.230
4GRO Crystallographic and biological characterization of N- and C- terminus mutants of human MIF Deposited 2012-08-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain E 2–115（114 aa） Chain F 2–115（114 aa） Chain H 2–115（114 aa）	Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions	CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；2.0 ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.230
4GRO Crystallographic and biological characterization of N- and C- terminus mutants of human MIF Deposited 2012-08-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain G 2–115（114 aa）	Mutation：Pro1-Ala2 are insertions	CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；2.0 ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.230
4GRP Crystallographic and biological characterization of N- and C- terminus mutants of human MIF Deposited 2012-08-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions	SO4 SULFATE ION × 5 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；293 K；1.6M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.27 Å R-free 0.169
4GRR characterization of N- and C- terminus mutants of human MIF Deposited 2012-08-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 3–115（113 aa） Chain B 3–115（113 aa） Chain C 3–115（113 aa）	Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions	SO4 SULFATE ION × 5 CL CHLORIDE ION × 11 AVR (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；310 K；1.6M ammmonium sualfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 310K	Resolution 1.47 Å R-free 0.172
4GRU crystallographic and biological characterization of N- and C- terminus mutants of human MIF Deposited 2012-08-26	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions Mutation：Pro1-Ala2 are insertions	CL CHLORIDE ION × 12 DIO 1,4-DIETHYLENE DIOXIDE × 3 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；2.0M ammonium sulfate, pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.92 Å R-free 0.230
4GUM Cystal structure of locked-trimer of human MIF Deposited 2012-08-29	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：N110C Mutation：N110C Mutation：N110C	CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；0.2M LiSO4, 3% DMSO, pH8.0, 33% PEG4000 , VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.33 Å R-free 0.272
4GUM Cystal structure of locked-trimer of human MIF Deposited 2012-08-29	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain D 2–115（114 aa） Chain E 2–115（114 aa） Chain F 2–115（114 aa）	Mutation：N110C Mutation：N110C Mutation：N110C	CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；0.2M LiSO4, 3% DMSO, pH8.0, 33% PEG4000 , VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.33 Å R-free 0.272
4GUM Cystal structure of locked-trimer of human MIF Deposited 2012-08-29	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain G 2–115（114 aa） Chain H 2–115（114 aa） Chain I 2–115（114 aa）	Mutation：N110C Mutation：N110C Mutation：N110C	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；293 K；0.2M LiSO4, 3% DMSO, pH8.0, 33% PEG4000 , VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.33 Å R-free 0.272
4K9G 1.55 A Crystal Structure of Macrophage Migration Inhibitory Factor bound to ISO-66 and a related compound Deposited 2013-04-19	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	1Q2 (4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one × 3 1Q1 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one × 1 CL CHLORIDE ION × 6 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；293 K；1.1 mM (14 mg/ml) MIF , 10 mM inhibitor in 10% DMSO, 18 mM NaCl, 18 mM tris(hydroxymethyl)aminomethane mixed 1:1 with reservoir containing 2 M ammonium sulfate, 0.1 M tris(hydroxymethyl)aminomethane, 3% isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.55 Å R-free 0.220
4OSF 4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor Deposited 2014-02-12	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	4MT N-[2-(4-hydroxyphenyl)ethyl]thioformamide × 3 SO4 SULFATE ION × 12 CL CHLORIDE ION × 2 IPA ISOPROPYL ALCOHOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.9M ammonium sulfate, 100mM Tris pH 8.0, 200mM NaCl, 4%(v/v) 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.62 Å R-free 0.223
4OYQ (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor Deposited 2014-02-12	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	1X2 6-isothiocyanatohexylbenzene × 3 SO4 SULFATE ION × 4 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.9 M ammonium sulfate, 100 mM Tris pH 8.0, 200 mM NaCl, 4%(v/v) 2-propanol	Resolution 1.70 Å R-free 0.195
4P01 Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with N-[(4-cyanophenyl)methyl]methanethioamide Deposited 2014-02-19	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	1ZW N-[(4-cyanophenyl)methyl]methanethioamide × 2 IPA ISOPROPYL ALCOHOL × 2 GOL GLYCEROL × 1 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2 M ammonium Sulphate, 3% 2-propanol, 20 mM Tris.HCl, pH 7.5	Resolution 2.07 Å R-free 0.228
4P0H Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with Dimethylformamide Deposited 2014-02-21	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	DMF DIMETHYLFORMAMIDE × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2 M ammonium Sulphate, 3% 2-propanol,20 mM Tris.HCl pH 7.5	Resolution 1.93 Å R-free 0.217
4PKK Crystal structure of Macrophage Migration inhibitory factor in complex with furan-2-ylmethyl)imino methanethiol Deposited 2014-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	31E (Z)-[(furan-2-ylmethyl)imino]methanethiol × 3 GOL GLYCEROL × 4 SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2 M ammonium Sulphate, 3% 2-propanol, 20 mM Tris.HCl, pH 7.5	Resolution 1.78 Å R-free 0.181
4PKZ Crystal structure of P1M mutant of Macrophage Migration Inhibitory Factor Deposited 2014-05-15	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：P1M Mutation：P1M Mutation：P1M	SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2 M ammonium Sulphate, 3% 2-propanol, 20 mM Tris.HCl, pH 7.5	Resolution 1.90 Å R-free 0.251
4PLU Crystal structure of Macrophage Migration Inhibitory Factor in complex with benzaldehyde Deposited 2014-05-19	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	HBX benzaldehyde × 3 SO4 SULFATE ION × 2 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2 M ammonium Sulphate, 3% 2-propanol,20 mM Tris.HCl pH 7.5	Resolution 1.63 Å R-free 0.214
4TRF Crystal structure of Macrophage Migration Inhibitory Factor in complex with N-(pyridin-3-ylmethyl)thioformamide Deposited 2014-06-16	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	35J N-(pyridin-3-ylmethyl)thioformamide × 3 SO4 SULFATE ION × 3 GOL GLYCEROL × 2 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2 M ammonium Sulphate, 3% 2-propanol,20 mM Tris.HCl pH 7.5	Resolution 1.63 Å R-free 0.181
4TRU Crystal structure of Q24A Q25A mutant of human macrophage migration inhibitory factor Deposited 2014-06-17	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：Q24A, Q25A Mutation：Q24A, Q25A Mutation：Q24A, Q25A	SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 3 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2 M ammonium Sulphate, 3% 2-propanol,20 mM Tris.HCl pH 7.5	Resolution 1.81 Å R-free 0.191
4WR8 Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 9 3TX 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.0M ammonium sulfate, 0.1M Tris-HCl pH 7, 3% isopropanol	Resolution 2.60 Å R-free 0.280
4WR8 Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain D 2–115（114 aa） Chain E 2–115（114 aa） Chain F 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 9 3TX 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.0M ammonium sulfate, 0.1M Tris-HCl pH 7, 3% isopropanol	Resolution 2.60 Å R-free 0.280
4WR8 Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain G 2–115（114 aa） Chain H 2–115（114 aa） Chain I 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 9 3TX 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.0M ammonium sulfate, 0.1M Tris-HCl pH 7, 3% isopropanol	Resolution 2.60 Å R-free 0.280
4WR8 Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain J 2–115（114 aa） Chain K 2–115（114 aa） Chain L 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 9 3TX 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.0M ammonium sulfate, 0.1M Tris-HCl pH 7, 3% isopropanol	Resolution 2.60 Å R-free 0.280
4WR8 Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain M 2–115（114 aa） Chain N 2–115（114 aa） Chain O 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 8 3TX 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.0M ammonium sulfate, 0.1M Tris-HCl pH 7, 3% isopropanol	Resolution 2.60 Å R-free 0.280
4WR8 Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain P 2–115（114 aa） Chain Q 2–115（114 aa） Chain R 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 9 3TX 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.0M ammonium sulfate, 0.1M Tris-HCl pH 7, 3% isopropanol	Resolution 2.60 Å R-free 0.280
4WRB Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-190) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	3TW 4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol × 1 SO4 SULFATE ION × 6 IPA ISOPROPYL ALCOHOL × 4 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.2M ammonium sulfate, 0.1M Tris-HCl pH 7, 3% isopropanol	Resolution 1.81 Å R-free 0.205
4XX7 Crystal structure of M2A mutant of human macrophage migration inhibitory factor Deposited 2015-01-29	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Fragment：UNP residues Chain B 2–115（114 aa） Fragment：UNP residues Chain C 2–115（114 aa） Fragment：UNP residues	Mutation：M2A Mutation：M2A Mutation：M2A	SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；2 M ammonium Sulphate, 3% 2-propanol, 20 mM Tris.HCl, pH 7.5	Resolution 1.77 Å R-free 0.187
4XX8 Crystal structure of Pro1 deletion mutant of human macrophage migration inhibitory factor Deposited 2015-01-30	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 3–115（113 aa） Chain B 3–115（113 aa） Chain C 3–115（113 aa）	Mutation：Pro1 deletion Mutation：Pro1 deletion Mutation：Pro1 deletion	SO4 SULFATE ION × 5 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；2 M ammonium Sulphate, 3% 2-propanol, 20 mM Tris.HCl, pH 7.5	Resolution 1.77 Å R-free 0.188
4Z15 MIF in complex with 3-(2-furylmethyl)-2-thioxo-1,3-thiazolan-4-one Deposited 2015-03-26	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	IPA ISOPROPYL ALCOHOL × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；Tris, ammonium sulfate, isopropanol	Resolution 1.60 Å R-free 0.210
4Z1T MIF in complex with 4-[(4-oxo-2-thioxo-1,3-thiazolan-3-yl)methyl]benzonitrile Deposited 2015-03-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	IPA ISOPROPYL ALCOHOL × 2 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；Tris, ammonium sulfate, isopropanol	Resolution 1.50 Å R-free 0.225
4Z1U MIF in complex with 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one Deposited 2015-03-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 6 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；Tris, ammonium sulfate, isopropanol	Resolution 2.05 Å R-free 0.205
4Z1U MIF in complex with 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one Deposited 2015-03-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain D 2–115（114 aa） Chain E 2–115（114 aa） Chain F 2–115（114 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 9 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；Tris, ammonium sulfate, isopropanol	Resolution 2.05 Å R-free 0.205
5B4O Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14 Deposited 2016-04-07	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Fragment：UNP residues 2-115 Chain B 2–115（114 aa） Fragment：UNP residues 2-115 Chain C 2–115（114 aa） Fragment：UNP residues 2-115	Not recorded	6DQ 2-pyridin-3-yl-1,3-benzothiazin-4-one × 4 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 9	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；2.4M ammonium sulfate, 0.1M bicine pH 9.0 , 2.4 mM BTZO-14	Resolution 1.37 Å R-free 0.198
5BS9 Crystal structure of N109A mutant of human macrophage migration inhibitory factor Deposited 2015-06-01	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：N109A Mutation：N109A Mutation：N109A	SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 6 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.98 Å R-free 0.185
5BSC Crystal structure of K66A mutant of human macrophage migration inhibitory factor Deposited 2015-06-01	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：K66A Mutation：K66A Mutation：K66A	IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.89 Å R-free 0.218
5BSI Crystal structure of Y36A mutant of human macrophage migration inhibitory factor Deposited 2015-06-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：Y36A Mutation：Y36A Mutation：Y36A	SO4 SULFATE ION × 3 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 2.00 Å R-free 0.221
5BSI Crystal structure of Y36A mutant of human macrophage migration inhibitory factor Deposited 2015-06-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain D 2–115（114 aa） Chain E 2–115（114 aa） Chain F 2–115（114 aa）	Mutation：Y36A Mutation：Y36A Mutation：Y36A	SO4 SULFATE ION × 3 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 2.00 Å R-free 0.221
5BSI Crystal structure of Y36A mutant of human macrophage migration inhibitory factor Deposited 2015-06-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain G 2–115（114 aa）	Mutation：Y36A	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 2.00 Å R-free 0.221
5BSI Crystal structure of Y36A mutant of human macrophage migration inhibitory factor Deposited 2015-06-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain J 2–115（114 aa）	Mutation：Y36A	SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 2.00 Å R-free 0.221
5BSJ Crystal structure of S63A mutant of human macrophage migration inhibitory factor Deposited 2015-06-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：S63A Mutation：S63A Mutation：S63A	SO4 SULFATE ION × 4 IPA ISOPROPYL ALCOHOL × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 2.00 Å R-free 0.210
5EIZ Crystal structure of Y99A mutant of human macrophage migration inhibitory factor Deposited 2015-10-30	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：Y99A Mutation：Y99A Mutation：Y99A	GOL GLYCEROL × 3 SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.96 Å R-free 0.181
5HVS Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Biaryltriazole Inhibitor (3i-305) Deposited 2016-01-28	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 6 65V 3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid × 3 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；2.0M ammonium sulfate, 0.1M Tris-HCl pH 8, 3% isopropanol	Resolution 1.75 Å R-free 0.206
5HVT Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Potent Inhibitor (NVS-2) Deposited 2016-01-28	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 6 NVS 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one × 3 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.0 M Ammonium Sulfate, 3% isopropanol and 0.1 M Tris pH 7.0	Resolution 1.75 Å R-free 0.203
5HVV Crystal structure of Pro1 deletion and M2A double mutant of Macrophage Migration Inhibitory Factor Deposited 2016-01-28	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 3–115（113 aa） Fragment：UNP residues 3-113 Chain B 3–115（113 aa） Fragment：UNP residues 3-113 Chain C 3–115（113 aa） Fragment：UNP residues 3-113	Mutation：M2A Mutation：M2A Mutation：M2A	SO4 SULFATE ION × 1 IPA ISOPROPYL ALCOHOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.90 Å R-free 0.191
5J7P Macrophage Migration Inhibitory Factor bound to Covalent Inhibitor RDR03785 Deposited 2016-04-06	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	6H1 6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol × 3 SO4 SULFATE ION × 7 IPA ISOPROPYL ALCOHOL × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.2 M Ammonium Sulfate, 3% isopropanol and 0.1 M Tris pH 7.0	Resolution 1.85 Å R-free 0.201
5J7Q Macrophage Migration Inhibitory Factor bound to Inhibitor K664 Derivative Deposited 2016-04-06	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	6H2 4-(imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol × 1 SO4 SULFATE ION × 7 GOL GLYCEROL × 2 IPA ISOPROPYL ALCOHOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；2.4 M Ammonium Sulfate, 3% isopropanol and 0.1 M Tris pH 7.0	Resolution 2.05 Å R-free 0.233
5UMJ Crystal structure of H62A mutant of human macrophage migration inhibitory factor Deposited 2017-01-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：H62A Mutation：H62A Mutation：H62A	SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.61 Å R-free 0.179
5UMK Crystal structure of H62Y mutant of human macrophage migration inhibitory factor Deposited 2017-01-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：H62Y Mutation：H62Y Mutation：H62Y	SO4 SULFATE ION × 2 IPA ISOPROPYL ALCOHOL × 4 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.73 Å R-free 0.175
5UZY Crystal structure of N97A mutant of human macrophage migration inhibitory factor Deposited 2017-02-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：N97A Mutation：N97A Mutation：N97A	SO4 SULFATE ION × 4 IPA ISOPROPYL ALCOHOL × 3 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.71 Å R-free 0.178
5V70 Crystal structure of N102A mutant of human macrophage migration inhibitory factor Deposited 2017-03-17	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：N102A Mutation：N102A Mutation：N102A	SO4 SULFATE ION × 5 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.94 Å R-free 0.198
5V73 Crystal structure of N110A mutant of human macrophage migration inhibitory factor Deposited 2017-03-17	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：N110A Mutation：N110A Mutation：N110A	SO4 SULFATE ION × 4 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.0 - 8.0	Resolution 1.68 Å R-free 0.175
5XEJ Crystal Structure of Macrophage Migration Inhibitory Factor bound to MTX Deposited 2017-04-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Fragment：UNP residues 2-115 Chain B 2–115（114 aa） Fragment：UNP residues 2-115 Chain C 2–115（114 aa） Fragment：UNP residues 2-115	Not recorded	SO4 SULFATE ION × 4 6UV (2~{R})-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1M HEPES(pH7.5), 65% Sat. AS, 2% PEG400	Resolution 2.50 Å R-free 0.227
6B1C Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a) Deposited 2017-09-18	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 4 C9J 2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；2.6 M AMMONIUM SULFATE, 0.1 M TRIS-HCL PH 7, 3% ISOPROPANOL, 2% DMSO	Resolution 2.16 Å R-free 0.254
6B1K Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (3a) Deposited 2017-09-18	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	C9G 2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one × 3 SO4 SULFATE ION × 4 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；2.1 M AMMONIUM SULFATE, 0.1 M TRIS-HCL PH 7.5, 3% ISOPROPANOL, 1.4% DMSO	Resolution 1.17 Å R-free 0.154
6B2C Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b) Deposited 2017-09-19	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 1 C9Y {2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；2.1 M AMMONIUM SULFATE, 0.1 M TRIS-HCL PH 7.5, 3% ISOPROPANOL, 2% DMSO	Resolution 2.00 Å R-free 0.222
6BG6 Crystal structure of S111A mutant of human macrophage migration inhibitory factor Deposited 2017-10-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：S111A Mutation：S111A Mutation：S111A	SO4 SULFATE ION × 3 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M Ammonium Sulphate, 3% 2-propanol, 100 mM Tris.HCl, pH 7.5	Resolution 1.52 Å R-free 0.174
6BG7 Crystal structure of G107A mutant of human macrophage migration inhibitory factor Deposited 2017-10-27	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：G107A Mutation：G107A Mutation：G107A	SO4 SULFATE ION × 4 IPA ISOPROPYL ALCOHOL × 3 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 2.54 Å R-free 0.225
6CB5 Macrophage Migration Inhibitory Factor in complex with a Pyrazole Inhibitor (8g) Deposited 2018-02-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	EV7 2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid × 3 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；2.0 M AMMONIUM SULFATE, 0.1 M TRIS-HCL PH 7.0, 3% ISOPROPANOL	Resolution 1.78 Å R-free 0.212
6CBF Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (6a) Deposited 2018-02-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	EWD 2-phenoxy-5-(1H-pyrazol-4-yl)benzoic acid × 2 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；2.4M ammonium sulfate, 3% isopropanol, 0.1M Tris pH 6.5	Resolution 2.30 Å R-free 0.282
6CBG Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (5) Deposited 2018-02-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 6 GOL GLYCEROL × 9 EWG 3-(1H-pyrazol-4-yl)benzoic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293.15 K；2.4M ammonium sulfate, 3% isopropanol, 0.1M Tris pH 7	Resolution 2.00 Å R-free 0.205
6CBH Macrophage Migration Inhibitory Factor in Complex with a Pyrazole Inhibitor (8m) Deposited 2018-02-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 6 IPA ISOPROPYL ALCOHOL × 2 GOL GLYCEROL × 2 EWJ 5-(3-fluoro-1H-pyrazol-4-yl)-2-[(naphthalen-2-yl)oxy]benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.4M ammonium sulfate, 3% isopropanol, 0.1M Tris pH 7	Resolution 2.00 Å R-free 0.214
6FVE Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound FITC Deposited 2018-03-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	6B9 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid × 3 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；Ammonium Sulfate, 0.1M Hepes pH 7.0	Resolution 1.41 Å R-free 0.189
6FVH Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound PITC Deposited 2018-03-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 6 0FI N-phenylthioformamide × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；Ammonium Sulfate, Hepes	Resolution 1.40 Å R-free 0.166
6OY8 Crystal structure of Y99G mutant of human macrophage migration inhibitory factor Deposited 2019-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：Y99G Mutation：Y99G Mutation：Y99G	SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.53 Å R-free 0.175
6OYB Crystal structure of H62G mutant of human macrophage migration inhibitory factor Deposited 2019-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：H62G Mutation：H62G Mutation：H62G	SO4 SULFATE ION × 4 GOL GLYCEROL × 5 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.53 Å R-free 0.161
6OYE Crystal structure of Y99F mutant of human macrophage migration inhibitory factor Deposited 2019-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：Y99F Mutation：Y99F Mutation：Y99F	GOL GLYCEROL × 4 SO4 SULFATE ION × 3 IPA ISOPROPYL ALCOHOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.53 Å R-free 0.168
6OYG Crystal structure of H62F mutant of human macrophage migration inhibitory factor Deposited 2019-05-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：H62F Mutation：H62F Mutation：H62F	SO4 SULFATE ION × 3 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.55 Å R-free 0.154
6PEG MIF with a allosteric inhibitor Deposited 2019-06-20	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain D 2–115（114 aa） Chain E 2–115（114 aa） Chain F 2–115（114 aa）	Not recorded	ACT ACETATE ION × 4 GOL GLYCEROL × 2 SO4 SULFATE ION × 3 4FQ 4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid × 1 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；100microMolar 4048, 2M Ammonium sulfate, 4% isopropanol, 50 mM Tris pH 8.0, 12.5% Glycerol, 50mM sodium acetate Protein 100mg/ml MIF in 50mM citrate pH 5, 50microMolar 4048	Resolution 2.00 Å R-free 0.188
7E45 Crystal structure of compound 7 bound to MIF Deposited 2021-02-10	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 13 HWO (2R)-7-[(2R,3R,4R,5S,6S)-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0 M ammonium sulfate, 0.1 M Tris pH 7.0, 3% isopropanol	Resolution 1.43 Å R-free 0.186
7E47 Crystal structure of compound 6 bound to MIF Deposited 2021-02-10	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 7 HWR (2S,3R,4R,5R,6R)-2-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-2-[[(2R,4R)-2-(4-hydroxyphenyl)-4,5-bis(oxidanyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0M ammonium sulfate, 3% isopropanol	Resolution 1.38 Å R-free 0.179
7E49 Crystal structure of MIF bound to compound10 Deposited 2021-02-11	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 8 MYC 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0M ammonium sulfate, 3% isopropanol	Resolution 1.57 Å R-free 0.235
7E4A Crystal structure of MIF bound to compound 13 Deposited 2021-02-11	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 11 HWL Flavoxate × 2 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；310 K；2.0M ammonium sulfate	Resolution 1.48 Å R-free 0.207
7E4B Crystal structure of MIF bound to compound 5 Deposited 2021-02-11	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 4 MRI 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；310 K；2.0M ammonium, 3% isopropanol	Resolution 1.77 Å R-free 0.232
7E4C Crystal structure of MIF bound to compound11 Deposited 2021-02-11	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 13 SO4 SULFATE ION × 4 GBJ 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；310 K；2.0M ammonium sulfate, 3% isopropanol	Resolution 1.64 Å R-free 0.191
7EDQ MIF complex to compound7 Deposited 2021-03-16	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	HFC 6,7-bis(oxidanyl)chromen-2-one × 1 CL CHLORIDE ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；290 K；2.0M Ammonium sulfate	Resolution 1.27 Å R-free 0.190
7EE8 The crystal structure of MIF bound to compound D5 Deposited 2021-03-17	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	CL CHLORIDE ION × 9 7Y8 3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol × 1 J23 3-[(2S)-2-azanyl-1-oxidanyl-propyl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；310 K；2.0M Ammonium sulfate, pH7.50	Resolution 1.22 Å R-free 0.242
7KQX MIF Y99C homotrimeric mutant Deposited 2020-11-18	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：Y99C Mutation：Y99C Mutation：Y99C	SO4 SULFATE ION × 3 GOL GLYCEROL × 15 IPA ISOPROPYL ALCOHOL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3% 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.60 Å R-free 0.180
7XTX High resolution crystal structure of human macrophage migration inhibitory factor in complex with methotrexate Deposited 2022-05-18	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 11 IPA ISOPROPYL ALCOHOL × 3 MT1 N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-6-YL)METHYL](METHYL)AMINO}BENZOYL)-L-GLUTAMIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；283 K；2.0 M Ammonium sulfate 0.1 M Tris-HCl (pH 8.0) 4 % isopropanol	Resolution 1.28 Å R-free 0.188
7XVX Neutron crystal structure of human macrophage migration inhibitory factor Deposited 2022-05-25	Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	No recorded non-water small molecule	Experimental method not declared X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；283 K；0.49 M Monosodium phosphate, 0.91 M Dipotassium phosphate	Resolution not provided
8CA0 Macrophage inhibitory factor (MIF) in complex with small molecule PAV174 Deposited 2023-01-24	Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	VIU 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine × 1	SOLUTION NMR NMR measurement conditions pH 7.2；298 K；Ionic strength (raw mmCIF value) 20；Pressure 1 NMR sample composition 1.0 mM [U-13C; U-15N] MIF, 1.0 mM PAV, 100% D2O \| 100% D2O	Resolution not provided
8IMR Structure of ligand-free human macrophage migration inhibitory factor Deposited 2023-03-07	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 6 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；283 K；2.0 M Ammonium sulfate 0.1 M Tris-HCl (pH 8.0) 4 % Isopropanol	Resolution 1.30 Å R-free 0.217
8SON Crystal structure of macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide Deposited 2023-04-28	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	GOL GLYCEROL × 3 SO4 SULFATE ION × 3 30Y (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20 mM Tris.HCl, pH 7.5, 2 M ammonium sulfate, and 3% 2-propanol	Resolution 1.63 Å R-free 0.199
8SPN Crystal structure of macrophage migration inhibitory factor in complex with T614 Deposited 2023-05-03	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Mutation：No Mutation：No Mutation：No	SO4 SULFATE ION × 2 IPA ISOPROPYL ALCOHOL × 1 GOL GLYCEROL × 1 7TN Iguratimod × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5	Resolution 1.73 Å R-free 0.202
8TT8 Joint Xray/Neutron structure of Macrophage Migration Inhibitory Factor (MIF) Bound to 4-hydroxyphenylpyruvate at room temperature Deposited 2023-08-13	Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	ENO 3-(4-HYDROXY-PHENYL)PYRUVIC ACID × 2 IPA ISOPROPYL ALCOHOL × 1 EN1 (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid × 1	Experimental method not declared X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；295 K；Protein: 1 mM MIF, 10 mM deuterated HPP, 20 mM NaCl in 20 mM Tris (pH 7.4) mixed 1:1 with reservoir containing 2M (NH4)2SO4, 1% isopropanol in 100 mM Tris (pH 7.4).	Resolution not provided
8TT9 X-ray structure of Macrophage Migration Inhibitory Factor (MIF) Covalently Bound to 4-hydroxyphenylpyruvate (HPP) Deposited 2023-08-13	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	ENO 3-(4-HYDROXY-PHENYL)PYRUVIC ACID × 3 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；2M AMMONIUM SULFATE, 4% ISOPROPANOL, 0.1 M TRIS(HYDROXYMETHYL)AMINOMETHAN; MIXED WITH PROTEIN:INHIBITOR COMPLEX IN A 1:10 RATIO	Resolution 1.68 Å R-free 0.199
9BNQ N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor Deposited 2024-05-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	A1AQU N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide × 3 SO4 SULFATE ION × 5 IPA ISOPROPYL ALCOHOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；0.2 uL 11 mg/mL MIF (100 mM Tris-HCl pH 8.0, 200 mM NaCl) were mixed with 0.2 uL of reservoir solution. Sitting drop reservoir contained 33 uL of 2.1 M Ammonium sulfate, 0.1 M Tris pH 7.5, 3% Isopropanol and <5mM N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide (10% DMSO final). Crystal was frozen in a solution of ~25% Glycerol, 75% reservoir	Resolution 1.09 Å R-free 0.154
9BNR 4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor Deposited 2024-05-02	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 2–115（114 aa） Chain B 2–115（114 aa） Chain C 2–115（114 aa）	Not recorded	A1AQT N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide × 3 SO4 SULFATE ION × 9	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；289.15 K；0.2 uL 11 mg/mL MIF (100 mM Tris-HCl pH 8.0, 200 mM NaCl) were mixed with 0.2 uL of reservoir solution. Sitting drop reservoir contained 33 uL of 2.0 M Ammonium sulfate, 0.1 M HEPES pH 7.0, 3% Isopropanol and <5mM 4-(2-isothiocyanatoethyl)benzenesulfonamide (10% DMSO final). Crystal was frozen in a solution of ~25% Glycerol, 75% reservoir	Resolution 1.53 Å R-free 0.178
9JIT Macrophage migration inhibitory factor S61H/Y100H mutant (MIF(S61H/Y100H)) Deposited 2024-09-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–115（115 aa） Chain B 1–115（115 aa） Chain C 1–115（115 aa）	Mutation：S61H/Y100H Mutation：S61H/Y100H Mutation：S61H/Y100H	SO4 SULFATE ION × 4 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2.0M ammonium sulfate, 20mM Tris-HCl buffer (pH 7.5), 3% isopropanol	Resolution 1.08 Å R-free 0.155
9JIV Macrophage migration inhibitory factor Y100H mutant (MIF(Y100H)) Deposited 2024-09-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–115（115 aa） Chain B 1–115（115 aa） Chain C 1–115（115 aa）	Mutation：Y100H Mutation：Y100H Mutation：Y100H	SO4 SULFATE ION × 4 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2.0M ammonium sulfate, 20mM Tris-HCl buffer (pH 7.5), 3% isopropanol	Resolution 1.25 Å R-free 0.152
9JIY Macrophage migration inhibitory factor S61H/Y100H mutant complexed with three Zinc ions (Zn3-MIF(S61H/Y100H)-L) Deposited 2024-09-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–115（115 aa） Chain B 1–115（115 aa） Chain C 1–115（115 aa）	Mutation：S61H/Y100H Mutation：S61H/Y100H Mutation：S61H/Y100H	ZN ZINC ION × 3 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 5 GOL GLYCEROL × 4 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.0M ammonium sulfate, 20mM Tris-HCl buffer (pH 7.5), 3% isopropanol	Resolution 1.20 Å R-free 0.174
9JIZ Macrophage migration inhibitory factor S61H/Y100H mutant complexed with three Zinc ions (Zn3-MIF(S61H/Y100H)) Deposited 2024-09-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–115（115 aa） Chain B 1–115（115 aa） Chain C 1–115（115 aa）	Mutation：S61H/Y100H Mutation：S61H/Y100H Mutation：S61H/Y100H	ZN ZINC ION × 3 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2.0M ammonium sulfate, 20mM Tris-HCl buffer (pH 7.5), 3% isopropanol	Resolution 1.30 Å R-free 0.167
9JJ0 Macrophage migration inhibitory factor Y100H mutant complexed with three Zinc ions (Zn3-MIF(Y100H)) Deposited 2024-09-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 1–115（115 aa） Chain B 1–115（115 aa） Chain C 1–115（115 aa）	Mutation：Y100H Mutation：Y100H Mutation：Y100H	ZN ZINC ION × 3 CL CHLORIDE ION × 3 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 3 IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2.0M ammonium sulfate, 20mM Tris-HCl buffer (pH 7.5), 3% isopropanol	Resolution 1.25 Å R-free 0.146

117 other PDB entries and 132 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	MIF_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–116； UniProt 2–115 Author chain B； PDBConstruct 1–116； UniProt 2–115 Author chain C； PDBConstruct 1–116； UniProt 2–115

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	4grq
Deposition date deposition_date	2012-08-26
Structure title title	Characterization of N- and C- terminus mutants of human MIF
Keywords keywords	alpha/beta mixture, cytokine, Isomerase; cytokine, Isomerase
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	20.06 Å
Radius of gyration Rg (electron density) rg_electron	18.80 Å
Forward intensity I(0) i0	25244800.00
Molecular weight molecular_weight	38004.0 kDa
Excluded volume excluded_volume	47295 Å³
Envelope volume envelope_volume	52889 Å³
Hydration-shell volume shell_volume	22627 Å³
Envelope diameter envelope_diameter	58.1 Å
Shell Rg shell_rg	25.99 Å
Envelope Rg envelope_rg	18.89 Å
Shape Rg shape_rg	18.81 Å
Total Rg total_rg	19.70 Å
Total atoms total_atoms	5287
Residues n_residues	348
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	59.7 Å
Rg (real space) rg_real	19.89 Å
Rg uncertainty (real space) rg_real_error	0.24 Å
I(0) (real space) i0_real	2.5240e+07
I(0) uncertainty (real space) i0_real_error	2.8970e+05
Rg (reciprocal space) rg_reciprocal	19.92 Å
I(0) (reciprocal space) i0_reciprocal	25250000.0000
Solution quality estimate total_estimate	0.8230
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	26.4 Å
Skewness Skewness skewness	0.012
Kurtosis Kurtosis kurtosis	-0.545
Angular range angular_range	— – 0.3950 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	5879000.0000
Real-space data points n_real_points	71
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.908; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Macrophage migration inhibitory factor
Molecular weight formula_weight	12497.2 kDa
EC 编号 ec_number	5.3.2.1, 5.3.3.12
Mutation mutation	Pro1-Ala2 are insertions
Source method src_method	man
Copy count entity_count	3

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C
Atom count atom_count	5919

PAAMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA

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

Entity 2 Entity 2 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	2-methyl-1-[2-(propan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
Molecular weight formula_weight	230.3 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	505

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7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d4grqa_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.80 — Tautomerase/MIF
Superfamily Superfamily superfamily	d.80.1 — Tautomerase/MIF
Family Family family	d.80.1.3 — MIF-related

Domain ID domain_id	d4grqb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.80 — Tautomerase/MIF
Superfamily Superfamily superfamily	d.80.1 — Tautomerase/MIF
Family Family family	d.80.1.3 — MIF-related

Domain ID domain_id	d4grqc_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.80 — Tautomerase/MIF
Superfamily Superfamily superfamily	d.80.1 — Tautomerase/MIF
Family Family family	d.80.1.3 — MIF-related

CATH v4.4 (3 domains)

Domain ID domain_id	4grqA00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	429 — Macrophage Migration Inhibitory Factor
Homologous superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

Domain ID domain_id	4grqB00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	429 — Macrophage Migration Inhibitory Factor
Homologous superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

Domain ID domain_id	4grqC00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	429 — Macrophage Migration Inhibitory Factor
Homologous superfamily homologous superfamily	10 — Macrophage Migration Inhibitory Factor

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8. Citations (1)

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Unit-cell length a length_a	95.369 Å
Unit-cell length b length_b	95.369 Å
Unit-cell length c length_c	103.830 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	18

Space group space_group	P 31 2 1
Space-group number int_tables_number	152
Crystal system crystal_system	—

Resolution resolution	1.650 Å
Low-resolution limit resolution_low	47.680 Å
R factor r_factor	0.1390
R_work r_work	0.1370
R_free r_free	0.1610

fit	/app/data/saxs_computation/gr/4grq/4grq.fit
pddf	/app/data/pr_computation/gr/4grq/4grq.pr.out
profile	/app/data/saxs_computation/gr/4grq/4grq.dat