3U8B
 
 | | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | | Deposit date: | 2011-10-16 | | Release date: | 2012-10-17 | | Last modified: | 2013-06-12 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
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3TIK
 | | Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one | | Descriptor: | 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha demethylase (CYP51) | | Authors: | Hargrove, T.Y, Wawrzak, Z, Kraus, J.M, Gelb, M.H, Buckner, F.S, Waterman, M.R, Lepesheva, G.I. | | Deposit date: | 2011-08-20 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.
Antimicrob.Agents Chemother., 56, 2012
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3U8I
 | | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | | Deposit date: | 2011-10-17 | | Release date: | 2012-10-17 | | Last modified: | 2013-06-12 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
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3U8H
 | | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | | Descriptor: | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | | Deposit date: | 2011-10-17 | | Release date: | 2012-10-17 | | Last modified: | 2013-06-12 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
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3U8D
 | | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | | Descriptor: | (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | | Deposit date: | 2011-10-16 | | Release date: | 2012-10-17 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.805 Å) | | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
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1I33
 | | LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS | | Descriptor: | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | | Authors: | Suresh, S, Bressi, J.C, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2001-02-12 | | Release date: | 2001-10-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors.
J.Mol.Biol., 309, 2001
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1I32
 | | LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS | | Descriptor: | GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | | Authors: | Suresh, S, Bressi, J.C, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2001-02-12 | | Release date: | 2001-10-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Conformational changes in Leishmania mexicana glyceraldehyde-3-phosphate dehydrogenase induced by designed inhibitors.
J.Mol.Biol., 309, 2001
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1JDJ
 | | CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE | | Descriptor: | 6-CHLORO-2-FLUOROPURINE, GLYCEROL-3-PHOSPHATE DEHYDROGENASE, PENTADECANE | | Authors: | Suresh, S, Wisedchaisri, G, Kennedy, K.J, Verlinde, C.L.M.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2001-06-14 | | Release date: | 2002-06-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
Chem.Biol., 9, 2002
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1M66
 | | Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor 2-bromo-6-chloro-purine | | Descriptor: | 2-BROMO-6-CHLORO-PURINE, Glycerol-3-phosphate dehydrogenase, PALMITIC ACID | | Authors: | Choe, J, Suresh, S, Wisedchaisri, G, Kennedy, K.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2002-07-12 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to
glycerol-3-phosphate dehydrogenase
Chem.Biol., 9, 2002
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1M67
 | | Crystal Structure of Leishmania mexicana GPDH Complexed with Inhibitor 2-bromo-6-hydroxy-purine | | Descriptor: | 2-BROMO-6-HYDROXY-PURINE, Glycerol-3-phosphate dehydrogenase, PALMITIC ACID | | Authors: | Choe, J, Suresh, S, Wisedchaisri, G, Kennedy, K.J, Gelb, M.H, Hol, W.G.J. | | Deposit date: | 2002-07-12 | | Release date: | 2002-12-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Anomalous differences of light elements in determining precise binding modes of ligands to
glycerol-3-phosphate dehydrogenase
Chem.Biol., 9, 2002
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4QQ8
 | | Crystal structure of the formolase FLS in space group P 43 21 2 | | Descriptor: | 1,2-ETHANEDIOL, Formolase, MAGNESIUM ION, ... | | Authors: | Shen, B.W, Siegel, J.B, Stoddard, B.L. | | Deposit date: | 2014-06-26 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
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16PK
 | | PHOSPHOGLYCERATE KINASE FROM TRYPANOSOMA BRUCEI BISUBSTRATE ANALOG | | Descriptor: | 1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER, 3-PHOSPHOGLYCERATE KINASE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | | Authors: | Bernstein, B.E, Bressi, J, Blackburn, M, Gelb, M, Hol, W.G.J. | | Deposit date: | 1998-05-18 | | Release date: | 1998-11-25 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A bisubstrate analog induces unexpected conformational changes in phosphoglycerate kinase from Trypanosoma brucei.
J.Mol.Biol., 279, 1998
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2A0M
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3I1C
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4QPZ
 | | Crystal structure of the formolase FLS_v2 in space group P 21 | | Descriptor: | Formolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | Authors: | Shen, B.W, Siegel, J.B, Stoddard, B.L, Baker, D. | | Deposit date: | 2014-06-25 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2IEJ
 | | Human Protein Farnesyltransferase Complexed with Inhibitor Compound STN-48 And FPP Analog at 1.8A Resolution | | Descriptor: | ACETATE ION, METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE, Protein farnesyltransferase subunit beta, ... | | Authors: | Hast, M.A, Beese, L.S. | | Deposit date: | 2006-09-19 | | Release date: | 2007-01-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Resistance mutations at the lipid substrate binding site of Plasmodium falciparum protein farnesyltransferase.
Mol.Biochem.Parasitol., 152, 2007
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1GYQ
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1POC
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1POE
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1POB
 | | CRYSTAL STRUCTURE OF COBRA-VENOM PHOSPHOLIPASE A2 IN A COMPLEX WITH A TRANSITION-STATE ANALOGUE | | Descriptor: | 1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | White, S.P, Scott, D.L, Otwinowski, Z, Sigler, P.B. | | Deposit date: | 1992-09-07 | | Release date: | 1993-10-31 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of cobra-venom phospholipase A2 in a complex with a transition-state analogue.
Science, 250, 1990
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1POA
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1APW
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1APV
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4ZT2
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1575) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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4ZT3
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor N-(3,5-dichlorobenzyl)-N'-(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (Chem 1614) | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, METHIONINE, ... | | Authors: | Koh, C.-Y, Hol, W.G.J. | | Deposit date: | 2015-05-14 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 5-Fluoroimidazo[4,5-b]pyridine Is a Privileged Fragment That Conveys Bioavailability to Potent Trypanosomal Methionyl-tRNA Synthetase Inhibitors.
Acs Infect Dis., 2, 2016
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