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PDB: 91 件

3YPI
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ELECTROPHILIC CATALYSIS IN TRIOSEPHOSPHASE ISOMERASE: THE ROLE OF HISTIDINE-95
分子名称: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Lolis, E, Petsko, G.A.
登録日1990-12-31
公開日1993-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Electrophilic catalysis in triosephosphate isomerase: the role of histidine-95.
Biochemistry, 30, 1991
2YPI
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CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE AND 2-PHOSPHOGLYCOLATE AT 2.5-ANGSTROMS RESOLUTION. IMPLICATIONS FOR CATALYSIS
分子名称: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Lolis, E, Petsko, G.A.
登録日1990-01-12
公開日1991-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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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CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
分子名称: 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Lolis, E, Sachpatzidis, A.
登録日1999-08-02
公開日1999-12-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: VIRUS CHEMOKINE VMIP-II
著者Shao, W, Fernandez, E, Navenot, J.M, Wilken, J, Thompson, D.A, Pepiper, S, Schweitzer, B.I, Lolis, E.
登録日1998-12-06
公開日2003-09-16
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献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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STRUCTURE OF YEAST TRIOSEPHOSPHATE ISOMERASE AT 1.9-ANGSTROMS RESOLUTION
分子名称: TRIOSEPHOSPHATE ISOMERASE
著者Alber, T, Lolis, E, Petsko, G.A.
登録日1990-01-12
公開日1991-01-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of yeast triosephosphate isomerase at 1.9-A resolution.
Biochemistry, 29, 1990
8AP3
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Structure of A. thaliana MIF/D-DT-like protein-2 (MDL2)
分子名称: MIF homologue
著者Manjula, R, Basquin, J, Lolis, E.
登録日2022-08-09
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: 4-phenylpyrimidine, CHLORIDE ION, D-dopachrome decarboxylase, ...
著者Zierow, S, Lolis, E.
登録日2009-10-26
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献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
分子名称: GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
著者Cho, Y, Lolis, E, Howe, J.R.
登録日2007-10-29
公開日2008-02-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) T686S Mutant in Complex with Glutamate at 1.7 Resolution
分子名称: GLUTAMIC ACID, Glutamate receptor 2, SULFATE ION
著者Cho, Y, Lolis, E, Howe, J.R.
登録日2007-10-29
公開日2008-02-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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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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
分子名称: 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, ...
著者Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E.
登録日2018-08-30
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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)
分子名称: CALCIUM ION, MIF/D-DT-like protein-1
著者Manjula, R, Basquin, J, Lolis, E.
登録日2022-07-18
公開日2023-07-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献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)
分子名称: LS1-like protein
著者Manjula, R, Basquin, J, Lolis, E.
登録日2022-07-18
公開日2023-07-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide, GLYCEROL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2023-04-28
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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
分子名称: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION
著者Pantouris, G, Lolis, E.
登録日2016-01-28
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2015-10-30
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献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
分子名称: 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
著者Crichlow, G.V, Yang, Y, Fan, C, Lolis, E, Braddock, D.
登録日2007-06-27
公開日2008-03-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dimerization of FIR upon FUSE DNA binding suggests a mechanism of c-myc inhibition
EMBO J., 27, 2007
8SPN
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Crystal structure of macrophage migration inhibitory factor in complex with T614
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Iguratimod, ...
著者Pantouris, G, Lolis, E.
登録日2023-05-03
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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
分子名称: 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
著者Gannam, Z.T.K, Jamali, H, Gentzel, E, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-02-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7U4O
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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
分子名称: 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
著者Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-02-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UMV
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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
分子名称: 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, ACETATE ION, Dual specificity protein phosphatase 10
著者Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-04-07
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UN0
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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
分子名称: 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10
著者Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-04-08
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UN4
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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
分子名称: 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10
著者Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-04-08
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UMU
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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
分子名称: 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dual specificity protein phosphatase 10
著者Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-04-07
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献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
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2014-06-16
公開日2015-09-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
4TRU
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Crystal structure of Q24A Q25A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2014-06-17
公開日2015-09-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015

 

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