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3U8B
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BU of 3u8b by Molmil
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
3TIK
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BU of 3tik by Molmil
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
3U8I
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BU of 3u8i by Molmil
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
3U8H
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BU of 3u8h by Molmil
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
3U8D
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BU of 3u8d by Molmil
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
1I33
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BU of 1i33 by Molmil
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
1I32
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BU of 1i32 by Molmil
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
1JDJ
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BU of 1jdj by Molmil
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
1M66
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BU of 1m66 by Molmil
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
1M67
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BU of 1m67 by Molmil
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
16PK
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BU of 16pk by Molmil
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
1APV
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BU of 1apv by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION STATE MIMICS BOUND TO PENICILLOPEPSIN: DIFLUOROSTATINE-AND DIFLUOROSTATONE-CONTAINING PEPTIDES
Descriptor: DIMETHYLFORMAMIDE, INHIBITOR ISOVALERYL (IVA)-VAL-VAL-HYDRATED DIFLUOROSTATONE-N-METHYLAMINE, PENICILLOPEPSIN, ...
Authors:Sielecki, A.R, James, M.N.G.
Deposit date:1991-12-16
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of transition state mimics bound to penicillopepsin: difluorostatine- and difluorostatone-containing peptides.
Biochemistry, 31, 1992
2IEJ
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BU of 2iej by Molmil
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
4QPZ
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BU of 4qpz by Molmil
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
4QQ8
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BU of 4qq8 by Molmil
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
1APW
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BU of 1apw by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF TRANSITION STATE MIMICS BOUND TO PENICILLOPEPSIN: DIFLUOROSTATINE-AND DIFLUOROSTATONE-CONTAINING PEPTIDES
Descriptor: DIMETHYLFORMAMIDE, INHIBITOR ISOVALERYL (IVA)-VAL-VAL-DIFLUOROSTATINE-N-METHYLAMINE, PENICILLOPEPSIN, ...
Authors:Sielecki, A.R, James, M.N.G.
Deposit date:1991-12-16
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of transition state mimics bound to penicillopepsin: difluorostatine- and difluorostatone-containing peptides.
Biochemistry, 31, 1992
2A0M
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BU of 2a0m by Molmil
Arginase superfamily protein from Trypanosoma cruzi
Descriptor: ARGINASE SUPERFAMILY PROTEIN, CHLORIDE ION
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-06-16
Release date:2005-07-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:Structural genomics of pathogenic protozoa: an overview.
Methods Mol.Biol., 426, 2008
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
1GYQ
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BU of 1gyq by Molmil
CRYSTAL STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE FROM LEISHMANIA MEXICANA IN COMPLEX WITH N6-BENZYL-NAD
Descriptor: N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE)
Authors:Suresh, S, Hol, W.
Deposit date:1999-03-05
Release date:1999-03-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure-based design of submicromolar, biologically active inhibitors of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase.
Proc.Natl.Acad.Sci.USA, 96, 1999
1POC
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BU of 1poc by Molmil
CRYSTAL STRUCTURE OF BEE-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: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 bee-venom phospholipase A2 in a complex with a transition-state analogue.
Science, 250, 1990
1POE
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BU of 1poe by Molmil
STRUCTURES OF FREE AND INHIBITED HUMAN SECRETORY PHOSPHOLIPASE A2 FROM INFLAMMATORY EXUDATE
Descriptor: 1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Scott, D.L, White, S.P, Sigler, P.B.
Deposit date:1992-09-07
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of free and inhibited human secretory phospholipase A2 from inflammatory exudate.
Science, 254, 1991
1POB
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BU of 1pob by Molmil
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
1POA
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BU of 1poa by Molmil
INTERFACIAL CATALYSIS: THE MECHANISM OF PHOSPHOLIPASE A2
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors: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 (1.5 Å)
Cite:Interfacial catalysis: the mechanism of phospholipase A2.
Science, 250, 1990
3E33
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BU of 3e33 by Molmil
Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 7
Descriptor: FARNESYL DIPHOSPHATE, N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide, Protein farnesyltransferase subunit beta, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
3E37
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BU of 3e37 by Molmil
Protein farnesyltransferase complexed with bisubstrate ethylenediamine scaffold inhibitor 5
Descriptor: Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ZINC ION, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2008-08-06
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009

 

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