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PDB: 140 results

4EQU
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BU of 4equ by Molmil
Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7
Descriptor: CALCIUM ION, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide, PENTAETHYLENE GLYCOL, ...
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2012-04-19
Release date:2012-11-07
Last modified:2012-12-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity-Based Probes Based on Type II Kinase Inhibitors.
J.Am.Chem.Soc., 134, 2012
3S4O
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BU of 3s4o by Molmil
Protein Tyrosine Phosphatase (putative) from Leishmania major
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein tyrosine phosphatase-like protein, THIOSULFATE
Authors:Merritt, E.A, Arakaki, T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP), Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2011-05-19
Release date:2011-06-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Protein Tyrosine Phosphatase from Leishmania major
To be Published
3P0I
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BU of 3p0i by Molmil
Leishmania major Tyrosyl-tRNA synthetase in complex with tyrosinol, cubic crystal form
Descriptor: 4-[(2S)-2-amino-3-hydroxypropyl]phenol, Tyrosyl-tRNA synthetase
Authors:Merritt, E.A, Larson, E.T, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-09-28
Release date:2011-03-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer.
J.Mol.Biol., 409, 2011
4DS2
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BU of 4ds2 by Molmil
Ubiquitin conjugating enzyme (putative) from Trypanosoma cruzi
Descriptor: Ubiquitin-conjugating enzyme E2, putative
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2012-02-17
Release date:2012-02-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Ubiquitin conjugating enzyme (putative) from Trypanosoma cruzi
To be Published
3UQG
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BU of 3uqg by Molmil
c-SRC kinase domain in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UQF
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BU of 3uqf by Molmil
c-SRC kinase domain in complex with BKI RM-1-89
Descriptor: 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-20
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V51
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BU of 3v51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
Descriptor: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5P
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BU of 3v5p by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
Descriptor: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UPX
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BU of 3upx by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1300
Descriptor: Calmodulin-domain protein kinase 1, [2-amino-1-(piperidin-4-ylmethyl)-1H-benzimidazol-6-yl](phenyl)methanone
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-11-18
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5T
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BU of 3v5t by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299
Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
1HTL
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BU of 1htl by Molmil
MUTATION OF A BURIED RESIDUE CAUSES LACK OF ACTIVITY BUT NO CONFORMATIONAL CHANGE: CRYSTAL STRUCTURE OF E. COLI HEAT-LABILE ENTEROTOXIN MUTANT VAL 97--> LYS
Descriptor: HEAT-LABILE ENTEROTOXIN, SUBUNIT A, SUBUNIT B
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1995-02-15
Release date:1995-04-20
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutation of a buried residue causes loss of activity but no conformational change in the heat-labile enterotoxin of Escherichia coli.
Nat.Struct.Biol., 2, 1995
1JQY
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BU of 1jqy by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010
Descriptor: (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, HEAT-LABILE ENTEROTOXIN B CHAIN
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2001-08-09
Release date:2002-05-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
1JR0
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BU of 1jr0 by Molmil
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011
Descriptor: (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:2001-08-09
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
4YSM
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BU of 4ysm by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella
Descriptor: CALCIUM ION, Calmodulin-like domain protein kinase
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4YUQ
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BU of 4yuq by Molmil
CDPK1 from Eimeria tenella in complex with inhibitor UW1354
Descriptor: 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-like domain protein kinase
Authors:Merritt, E.A.
Deposit date:2015-03-19
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4YZB
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BU of 4yzb by Molmil
CDPK1 from Eimeria tenella in complex with inhibitor UW1521
Descriptor: 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine, CALCIUM ION, Calmodulin-like domain protein kinase
Authors:Merritt, E.A.
Deposit date:2015-03-24
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
2Q0X
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BU of 2q0x by Molmil
Alpha/Beta hydrolase fold protein of unknown function
Descriptor: GLYCEROL, Uncharacterized protein
Authors:Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-05-22
Release date:2007-06-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Trypanosoma brucei alpha/beta-hydrolase fold protein with unknown function.
Acta Crystallogr.,Sect.F, 64, 2008
1LT6
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BU of 1lt6 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYLGALACTOSIDE
Descriptor: 3-nitrophenyl alpha-D-galactopyranoside, HEAT-LABILE ENTEROTOXIN
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1997-10-01
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Structure, 5, 1997
1LT5
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BU of 1lt5 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH THIODIGALACTOSIDE
Descriptor: HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1997-09-30
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Structure, 5, 1997
2QOR
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BU of 2qor by Molmil
Crystal structure of Plasmodium vivax guanylate kinase
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase, PYROPHOSPHATE 2-
Authors:Merritt, E.A, Le Trong, I, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-07-20
Release date:2007-08-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Plasmodium vivax guanylate kinase.
To be Published
1LTB
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BU of 1ltb by Molmil
2.6 ANGSTROMS CRYSTAL STRUCTURE OF PARTIALLY-ACTIVATED E. COLI HEAT-LABILE ENTEROTOXIN (LT)
Descriptor: HEAT-LABILE ENTEROTOXIN, SUBUNIT A, SUBUNIT B
Authors:Merritt, E.A, Sixma, T.K, Hol, W.G.J.
Deposit date:1993-09-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of partially-activated E. coli heat-labile enterotoxin (LT) at 2.6 A resolution.
FEBS Lett., 337, 1994
3CHB
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BU of 3chb by Molmil
CHOLERA TOXIN B-PENTAMER COMPLEXED WITH GM1 PENTASACCHARIDE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLERA TOXIN, UNKNOWN ATOM OR ION, ...
Authors:Merritt, E.A, Hol, W.G.J.
Deposit date:1998-03-24
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A resolution refinement of the cholera toxin B-pentamer: evidence of peptide backbone strain at the receptor-binding site.
J.Mol.Biol., 282, 1998
1LUQ
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BU of 1luq by Molmil
Full Matrix Error Analysis of Streptavidin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BIOTIN, GLYCEROL, ...
Authors:Merritt, E.A, Le Trong, I.
Deposit date:2002-05-23
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Full Matrix Error Analysis of Streptavidin
To be Published
1LTA
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BU of 1lta by Molmil
2.2 ANGSTROMS CRYSTAL STRUCTURE OF E. COLI HEAT-LABILE ENTEROTOXIN (LT) WITH BOUND GALACTOSE
Descriptor: HEAT-LABILE ENTEROTOXIN, SUBUNIT A, SUBUNIT B, ...
Authors:Merritt, E.A, Sixma, T.K, Kalk, K.H, Van Zanten, B.A.M, Hol, W.G.J.
Deposit date:1993-09-15
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Galactose-binding site in Escherichia coli heat-labile enterotoxin (LT) and cholera toxin (CT).
Mol.Microbiol., 13, 1994

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