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PDB: 91 results

3YPI
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BU of 3ypi by Molmil
ELECTROPHILIC CATALYSIS IN TRIOSEPHOSPHASE ISOMERASE: THE ROLE OF HISTIDINE-95
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Lolis, E, Petsko, G.A.
Deposit date:1990-12-31
Release date:1993-04-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Electrophilic catalysis in triosephosphate isomerase: the role of histidine-95.
Biochemistry, 30, 1991
2YPI
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BU of 2ypi by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE AND 2-PHOSPHOGLYCOLATE AT 2.5-ANGSTROMS RESOLUTION. IMPLICATIONS FOR CATALYSIS
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Lolis, E, Petsko, G.A.
Deposit date:1990-01-12
Release date:1991-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of the complex between triosephosphate isomerase and 2-phosphoglycolate at 2.5-A resolution: implications for catalysis.
Biochemistry, 29, 1990
1C9D
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BU of 1c9d by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
Descriptor: 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Lolis, E, Sachpatzidis, A.
Deposit date:1999-08-02
Release date:1999-12-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic studies of phosphonate-based alpha-reaction transition-state analogues complexed to tryptophan synthase.
Biochemistry, 38, 1999
1HHV
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BU of 1hhv by Molmil
SOLUTION STRUCTURE OF VIRUS CHEMOKINE VMIP-II
Descriptor: VIRUS CHEMOKINE VMIP-II
Authors:Shao, W, Fernandez, E, Navenot, J.M, Wilken, J, Thompson, D.A, Pepiper, S, Schweitzer, B.I, Lolis, E.
Deposit date:1998-12-06
Release date:2003-09-16
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:CCR2 and CCR5 receptor-binding properties of herpesvirus-8 vMIP-II based on sequence analysis and its solution structure
Eur.J.Biochem., 268, 2001
1YPI
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BU of 1ypi by Molmil
STRUCTURE OF YEAST TRIOSEPHOSPHATE ISOMERASE AT 1.9-ANGSTROMS RESOLUTION
Descriptor: TRIOSEPHOSPHATE ISOMERASE
Authors:Alber, T, Lolis, E, Petsko, G.A.
Deposit date:1990-01-12
Release date:1991-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of yeast triosephosphate isomerase at 1.9-A resolution.
Biochemistry, 29, 1990
8AP3
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BU of 8ap3 by Molmil
Structure of A. thaliana MIF/D-DT-like protein-2 (MDL2)
Descriptor: MIF homologue
Authors:Manjula, R, Basquin, J, Lolis, E.
Deposit date:2022-08-09
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of A. thaliana MIF/D-DT-like protein-2 (MDL2)
To Be Published
3KER
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BU of 3ker by Molmil
D-Dopachrome tautomerase (D-DT)/ macrophage migration inhibitory factor 2 (MIF2) complexed with inhibitor 4-IPP
Descriptor: 4-phenylpyrimidine, CHLORIDE ION, D-dopachrome decarboxylase, ...
Authors:Zierow, S, Lolis, E.
Deposit date:2009-10-26
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment.
Faseb J., 28, 2014
3B6Q
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BU of 3b6q by Molmil
Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) Mutant T686A in Complex with Glutamate at 2.0 Resolution
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
Authors:Cho, Y, Lolis, E, Howe, J.R.
Deposit date:2007-10-29
Release date:2008-02-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating.
J.Neurosci., 28, 2008
3B6W
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BU of 3b6w by Molmil
Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) T686S Mutant in Complex with Glutamate at 1.7 Resolution
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
Authors:Cho, Y, Lolis, E, Howe, J.R.
Deposit date:2007-10-29
Release date:2008-02-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating.
J.Neurosci., 28, 2008
6MC1
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BU of 6mc1 by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ...
Authors:Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E.
Deposit date:2018-08-30
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.
Sci.Signal., 13, 2020
8DQ6
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Structure of A. thaliana MIF/D-DT-like protein-1 (MDL1)
Descriptor: CALCIUM ION, MIF/D-DT-like protein-1
Authors:Manjula, R, Basquin, J, Lolis, E.
Deposit date:2022-07-18
Release date:2023-07-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Plant MDL proteins synergize with the cytokine MIF at CXCR2 and CXCR4 receptors in human cells.
Sci.Signal., 16, 2023
8DQA
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BU of 8dqa by Molmil
Structure of A. thaliana MIF/D-DT-like protein-3 (MDL3)
Descriptor: LS1-like protein
Authors:Manjula, R, Basquin, J, Lolis, E.
Deposit date:2022-07-18
Release date:2023-07-26
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Plant MDL proteins synergize with the cytokine MIF at CXCR2 and CXCR4 receptors in human cells.
Sci.Signal., 16, 2023
8SON
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BU of 8son by Molmil
Crystal structure of macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide
Descriptor: (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2023-04-28
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of the macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide
To Be Published
5HVV
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BU of 5hvv by Molmil
Crystal structure of Pro1 deletion and M2A double mutant of Macrophage Migration Inhibitory Factor
Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Pantouris, G, Lolis, E.
Deposit date:2016-01-28
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of P1 deletion and M2A double mutant of Macrophage Migration Inhibitory Factor
To Be Published
5EIZ
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BU of 5eiz by Molmil
Crystal structure of Y99A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2015-10-30
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 2018
2QFJ
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BU of 2qfj by Molmil
Crystal Structure of First Two RRM Domains of FIR Bound to ssDNA from a Portion of FUSE
Descriptor: DNA (5'-D(*DTP*DCP*DGP*DGP*DGP*DAP*DTP*DTP*DTP*DTP*DTP*DTP*DAP*DTP*DTP*DTP*DTP*DGP*DTP*DGP*DTP*DTP*DAP*DTP*DT)-3'), FBP-interacting repressor
Authors:Crichlow, G.V, Yang, Y, Fan, C, Lolis, E, Braddock, D.
Deposit date:2007-06-27
Release date:2008-03-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dimerization of FIR upon FUSE DNA binding suggests a mechanism of c-myc inhibition
EMBO J., 27, 2007
8SPN
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BU of 8spn by Molmil
Crystal structure of macrophage migration inhibitory factor in complex with T614
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Iguratimod, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2023-05-03
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Iguratimod, an allosteric inhibitor of macrophage migration inhibitory factor (MIF), prevents mortality and oxidative stress in a murine model of acetaminophen overdose.
Mol Med, 30, 2024
7U4R
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BU of 7u4r by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Gentzel, E, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-02-28
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7U4O
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BU of 7u4o by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-02-28
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UMV
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BU of 7umv by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, ACETATE ION, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-04-07
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UN0
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BU of 7un0 by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-04-08
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UN4
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BU of 7un4 by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-04-08
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UMU
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BU of 7umu by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-04-07
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
4TRF
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BU of 4trf by Molmil
Crystal structure of Macrophage Migration Inhibitory Factor in complex with N-(pyridin-3-ylmethyl)thioformamide
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-06-16
Release date:2015-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4TRU
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BU of 4tru by Molmil
Crystal structure of Q24A Q25A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2014-06-17
Release date:2015-09-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015

 

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