Author results

3I05
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TRYPTOPHANYL-TRNA SYNTHETASE FROM TRYPANOSOMA BRUCEI
Descriptor:Tryptophanyl-tRNA synthetase
Authors:Arakaki, T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-06-24
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of three protozoan homologs of tryptophanyl-tRNA synthetase.
Mol.Biochem.Parasitol., 177, 2011
3I7F
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ASPARTYL TRNA SYNTHETASE FROM ENTAMOEBA HISTOLYTICA
Descriptor:Aspartyl-tRNA synthetase
Authors:Arakaki, T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-07-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the aspartyl-tRNA synthetase from Entamoeba histolytica.
Mol.Biochem.Parasitol., 169, 2010
3BJE
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CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI NUCLEOSIDE PHOSPHORYLASE SHOWS URIDINE PHOSPHORYLASE ACTIVITY
Descriptor:Nucleoside phosphorylase, putative, RIBOSE-1-PHOSPHATE, ...
Authors:Larson, E.T., Merritt, E.A., Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-12-03
Release date:2007-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
J.Mol.Biol., 396, 2010
3HHJ
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CRYSTAL STRUCTURE OF MUTATOR MUTT FROM BARTONELLA HENSELAE
Descriptor:Mutator mutT protein, MAGNESIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-05-15
Release date:2009-05-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a Nudix hydrolase (MutT) in the Mg(2+)-bound state from Bartonella henselae, the bacterium responsible for cat scratch fever.
Acta Crystallogr.,Sect.F, 67, 2011
3I79
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1)
Descriptor:Calmodulin-domain protein kinase 1, 1,2-ETHANEDIOL
Authors:Larson, E.T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-08-11
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I7B
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1) IN COMPLEX WITH BUMPED KINASE INHIBITOR NM-PP1
Descriptor:Calmodulin-domain protein kinase 1, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1,2-ETHANEDIOL, ...
Authors:Larson, E.T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2010-02-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I7C
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1) IN COMPLEX WITH BUMPED KINASE INHIBITOR NA-PP2
Descriptor:Calmodulin-domain protein kinase 1, 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Larson, E.T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2010-02-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3LC0
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HISTIDYL-TRNA SYNTHETASE FROM TRYPANOSOMA CRUZI (HISTIDINE COMPLEX)
Descriptor:Histidyl-tRNA synthetase, HISTIDINE
Authors:Merritt, E.A., Larson, E.T., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-01-08
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Trypanosomal Histidyl-tRNA Synthetase Illuminate Differences between Eukaryotic and Prokaryotic Homologs.
J.Mol.Biol., 397, 2010
3OCE
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CRYSTAL STRUCTURE OF FUMARATE LYASE:DELTA CRYSTALLIN FROM BRUCELLA MELITENSIS BOUND TO COBALT
Descriptor:Fumarate lyase:Delta crystallin, COBALT (II) ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-09
Release date:2010-08-18
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Crystal structure of fumarate lyase:delta crystallin from Brucella melitensis bound to cobalt
To be Published
3OCF
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CRYSTAL STRUCTURE OF FUMARATE LYASE:DELTA CRYSTALLIN FROM BRUCELLA MELITENSIS IN NATIVE FORM
Descriptor:Fumarate lyase:Delta crystallin, CHLORIDE ION, 1,2-ETHANEDIOL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-08-09
Release date:2010-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of fumarate lyase:delta crystallin from Brucella melitensis in native form
To be Published
3OUJ
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PHD2 WITH 2-OXOGLUTARATE
Descriptor:Egl nine homolog 1, SULFATE ION, FE (II) ION, ...
Authors:Staker, B.L., Arakaki, T.L.
Deposit date:2010-09-14
Release date:2010-12-01
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
ACS Med Chem Lett, 1, 2010
4EGF
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CRYSTAL STRUCTURE OF A L-XYLULOSE REDUCTASE FROM MYCOBACTERIUM SMEGMATIS
Descriptor:L-xylulose reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Arakaki, T.L., Staker, B.L., Fairman, J.W.
Deposit date:2012-03-30
Release date:2012-05-02
Last modified:2016-02-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4JNQ
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CRYSTAL STRUCTURE OF A THIOREDOXIN REDUCTASE FROM BRUCELLA MELITENSIS
Descriptor:Thioredoxin reductase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-03-15
Release date:2013-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a thioredoxin reductase from Brucella melitensis
To be Published
4PJT
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STRUCTURE OF PARP1 CATALYTIC DOMAIN BOUND TO INHIBITOR BMN 673
Descriptor:Poly [ADP-ribose] polymerase 1, SULFATE ION, (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, ...
Authors:Aoyagi-Scharber, M., Gardberg, A.S., Arakaki, T.L.
Deposit date:2014-05-12
Release date:2014-09-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70, 2014
4QFD
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CO-CRYSTAL STRUCTURE OF COMPOUND 2 (3-(7-HYDROXY-2-OXO-4-PHENYL-2H-CHROMEN-6-YL)PROPANOIC ACID) AND FAD BOUND TO HUMAN DAAO AT 2.85A
Descriptor:D-amino-acid oxidase, SODIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Edwards, T.E., Chun, L., Arakaki, T.L.
Deposit date:2014-05-20
Release date:2014-07-16
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Novel human D-amino acid oxidase inhibitors stabilize an active-site lid-open conformation.
Biosci.Rep., 34, 2014
4YWN
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CRYSTAL STRUCTURE OF NADH-FMN OXIDOREDUCTASE FROM MYCOBACTERIUM AVIUM
Descriptor:NADH-fmn oxidoreductase, CITRATE ANION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-03-20
Release date:2015-04-01
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of NADH-FMN oxidoreductase from Mycobacterium avium
To be Published
4TZR
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1) IN COMPLEX WITH INHIBITOR UW1561
Descriptor:Calmodulin-domain protein kinase 1, 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol
Authors:Merritt, E.A.
Deposit date:2014-07-10
Release date:2014-08-27
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
3MWU
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ACTIVATED CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM CRYPTOSPORIDIUM PARVUM (CPCDPK1) IN COMPLEX WITH BUMPED KINASE INHIBITOR RM-1-95
Descriptor:Calmodulin-domain protein kinase 1, CALCIUM ION, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Larson, E.T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-05-06
Release date:2010-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3N51
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1) IN COMPLEX WITH BUMPED KINASE INHIBITOR RM-1-95
Descriptor:Calmodulin-domain protein kinase 1, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, ...
Authors:Larson, E.T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-05-24
Release date:2010-07-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3NCG
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ACTIVATED CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM CRYPTOSPORIDIUM PARVUM (CPCDPK1) IN COMPLEX WITH BUMPED KINASE INHIBITOR NM-PP1
Descriptor:Calmodulin-domain protein kinase 1, CALCIUM ION, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Larson, E.T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-06-04
Release date:2010-07-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3NYV
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1) IN COMPLEX WITH NON-SPECIFIC INHIBITOR WHI-P180
Descriptor:Calmodulin-domain protein kinase 1, 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
Authors:Larson, E.T., Merritt, E.A., Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding modes of non-specific inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from T. gondii and C. parvum
To be Published
3SXF
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1) IN COMPLEX WITH BUMPED KINASE INHIBITOR, RM-1-89
Descriptor:Calmodulin-domain protein kinase 1, 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, ...
Authors:Larson, E.T., Merritt, E.A.
Deposit date:2011-07-14
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3T3U
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1) IN COMPLEX WITH BUMPED KINASE INHIBITOR, RM-1-130
Descriptor:Calmodulin-domain protein kinase 1, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, ...
Authors:Larson, E.T., Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2017-11-08
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
3T3V
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CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (TGCDPK1) IN COMPLEX WITH BUMPED KINASE INHIBITOR, RM-1-87
Descriptor:Calmodulin-domain protein kinase 1, 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 1,2-ETHANEDIOL
Authors:Larson, E.T., Merritt, E.A.
Deposit date:2011-07-25
Release date:2012-03-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1.
J.Med.Chem., 55, 2012
3UPX
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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:2012-04-18
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