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8FBP
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BU of 8fbp by Molmil
Glutamine synthetase from Pseudomonas aeruginosa, filament double-unit in compressed conformation
Descriptor: Glutamine synthetase
Authors:Phan, I.Q, Staker, B, Shek, R, Moser, T.H, Evans, J.E, van Voorhis, W.C, Myler, P.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-11-29
Release date:2024-02-14
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Glutamine synthetase from Pseudomonas aeruginosa, filament double-unit in compressed conformation
To Be Published
2KN9
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BU of 2kn9 by Molmil
Solution structure of zinc-substituted rubredoxin B (Rv3250c) from Mycobacterium tuberculosis. Seattle Structural Genomics Center for Infectious Disease target MytuD.01635.a
Descriptor: Rubredoxin, ZINC ION
Authors:Buchko, G.W, Hewitt, S.N, Napuli, A.J, Van Voorhis, W.C, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-20
Release date:2009-09-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution-state NMR structure and biophysical characterization of zinc-substituted rubredoxin B (Rv3250c) from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 67, 2011
2KOK
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BU of 2kok by Molmil
Solution structure of an arsenate reductase (ArsC) related protein from Brucella melitensis. Seattle Structural Genomics Center for Infectious Disease target BrabA.00007.a.
Descriptor: arsenate reductase
Authors:Buchko, G.W, Hewitt, S.N, Napuli, A.J, Van Voorhis, W.C, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-23
Release date:2009-10-13
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of an arsenate reductase-related protein, YffB, from Brucella melitensis, the etiological agent responsible for brucellosis.
Acta Crystallogr.,Sect.F, 67, 2011
3RP9
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BU of 3rp9 by Molmil
Crystal Structure of the apo MapK from Toxoplasma Gondii, 25.m01780 or TGME49_007820
Descriptor: Mitogen-activated protein kinase, SULFATE ION
Authors:Wernimont, A.K, Crombet, L, Pizarro, J.C, Crowther, G.J, Van Voorhis, W.C, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2011-04-26
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the apo MapK from Toxoplasma Gondii, 25.m01780 or TGME49_007820
To be Published
2R2L
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BU of 2r2l by Molmil
Structure of Farnesyl Protein Transferase bound to PB-93
Descriptor: FARNESYL DIPHOSPHATE, Farnesyltransferase subunit alpha, Farnesyltransferase subunit beta, ...
Authors:Strickland, C.O, Voorhis, W.
Deposit date:2007-08-27
Release date:2008-03-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase.
Antimicrob.Agents Chemother., 51, 2007
3EIY
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BU of 3eiy by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound pyrophosphate
Descriptor: DI(HYDROXYETHYL)ETHER, Inorganic pyrophosphatase, POTASSIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-17
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009
3EJ0
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BU of 3ej0 by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound N-(pyridin-3-ylmethyl) aniline, H32 crystal form
Descriptor: Inorganic pyrophosphatase, N-(pyridin-3-ylmethyl)aniline
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-17
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009
4M84
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BU of 4m84 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
Descriptor: 5-amino-1-tert-butyl-3-(quinolin-2-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2013-08-12
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
Descriptor: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
3R20
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BU of 3r20 by Molmil
Crystal structure of cytidylate kinase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytidylate kinase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-11
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
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
4TZR
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BU of 4tzr by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561
Descriptor: 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-07-10
Release date:2014-08-27
Last modified:2023-12-27
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
6BFA
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BU of 6bfa by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553
Descriptor: 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2017-10-26
Release date:2017-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 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
4YSJ
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BU of 4ysj by Molmil
Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calmodulin-like domain protein kinase, ...
Authors:Merritt, E.A.
Deposit date:2015-03-17
Release date:2016-04-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
3KFL
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BU of 3kfl by Molmil
Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-10-27
Release date:2010-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate.
Biochimie, 93, 2011
3KHP
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BU of 3khp by Molmil
Crystal structure of a possible dehydrogenase from Mycobacterium tuberculosis at 2.3A resolution
Descriptor: CHLORIDE ION, L(+)-TARTARIC ACID, MaoC family protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-30
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3KRB
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BU of 3krb by Molmil
Structure of Aldose Reductase from Giardia Lamblia at 1.75A Resolution
Descriptor: 1,2-ETHANEDIOL, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-11-18
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of aldose reductase from Giardia lamblia.
Acta Crystallogr.,Sect.F, 67, 2011
3R1J
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BU of 3r1j by Molmil
Crystal structure of Alpha-ketoglutarate-dependent taurine dioxygenase from Mycobacterium avium, native form
Descriptor: 1,2-ETHANEDIOL, Alpha-ketoglutarate-dependent taurine dioxygenase, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-10
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3R6H
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BU of 3r6h by Molmil
Crystal structure of an enoyl-CoA hydratase (ECHA3) from Mycobacterium marinum
Descriptor: CHLORIDE ION, Enoyl-CoA hydratase, EchA3, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-21
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3RD5
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BU of 3rd5 by Molmil
Crystal structure of a putative uncharacterized protein from Mycobacterium Paratuberculosis
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MYPAA.01249.C
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-31
Release date:2011-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3RIH
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BU of 3rih by Molmil
Crystal structure of a putative short chain dehydrogenase or reductase from Mycobacterium abscessus
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, POTASSIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-04-13
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3RRP
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BU of 3rrp by Molmil
Crystal structure of fumarate hydratase Fum from Mycobacterium abscessus with malate bound
Descriptor: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Probable fumarate hydratase Fum
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-04-29
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

225158

數據於2024-09-18公開中

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