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3TML
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BU of 3tml by Molmil
Crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Burkholderia cenocepacia
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-31
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
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
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
4EG0
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BU of 4eg0 by Molmil
Crystal Structure of D-alanine--D-alanine ligase from Burkholderia ambifaria
Descriptor: 1,2-ETHANEDIOL, D-alanine--D-alanine ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-30
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4EGF
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BU of 4egf by Molmil
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:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4EK2
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BU of 4ek2 by Molmil
The structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis bound to deoxyadenosine monophosphate
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-09
Release date:2012-05-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4EYE
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BU of 4eye by Molmil
Crystal structure of a probable oxidoreductase from Mycobacterium abscessus solved by iodide ion SAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, Probable oxidoreductase
Authors:Edwards, T.E, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-05-01
Release date:2012-05-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4ED4
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BU of 4ed4 by Molmil
Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to ATP
Descriptor: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, ADENOSINE-5'-TRIPHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-26
Release date:2012-04-04
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
4EGJ
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BU of 4egj by Molmil
Crystal structure of D-alanine-D-alanine ligase from Burkholderia xenovorans
Descriptor: D-alanine--D-alanine ligase
Authors:SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-31
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4E98
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BU of 4e98 by Molmil
Crystal structure of possible CutA1 divalent ion tolerance protein from Cryptosporidium parvum Iowa II
Descriptor: CHLORIDE ION, CutA1 divalent ion tolerance protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Buchko, G.W, Robinson, H.
Deposit date:2012-03-20
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a CutA1 divalent-cation tolerance protein from Cryptosporidium parvum, the protozoal parasite responsible for cryptosporidiosis.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4EO9
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BU of 4eo9 by Molmil
Crystal structure of a phosphoglycerate mutase gpm1 from Mycobacterium leprae
Descriptor: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-13
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4EFI
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BU of 4efi by Molmil
Crystal Structure of 3-oxoacyl-(Acyl-carrier protein) Synthase from Burkholderia Xenovorans LB400
Descriptor: 3-oxoacyl-(Acyl-carrier protein) synthase, CHLORIDE ION, FORMIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Craig, T.K, Abendroth, J, Staker, B, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-29
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4EXQ
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BU of 4exq by Molmil
CRYSTAL STRUCTURE of UROPORPHYRINOGEN DECARBOXYLASE (UPD) FROM BURKHOLDERIA THAILANDENSIS E264
Descriptor: SODIUM ION, Uroporphyrinogen decarboxylase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-30
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4EMD
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BU of 4emd by Molmil
Crystal structure of IspE (4-diphosphocytidyl-2-C-methyl-D-erythritol kinase) from Mycobacterium abcessus, bound to CMP and SO4
Descriptor: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, CYTIDINE-5'-MONOPHOSPHATE, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-11
Release date:2012-04-25
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
4EGE
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BU of 4ege by Molmil
Crystal Structure of Dipeptidase PepE from Mycobacterium ulcerans
Descriptor: 1,2-ETHANEDIOL, Dipeptidase PepE, UNKNOWN ATOM OR ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-30
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 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
5ELO
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BU of 5elo by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and cladosporin
Descriptor: 1,2-ETHANEDIOL, LYSINE, Lysine--tRNA ligase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
5ELN
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BU of 5eln by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, LYSINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-04
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc. Natl. Acad. Sci. U.S.A., 2019
7N8I
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BU of 7n8i by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 (Local Refinement of the NTD/S2L20)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab Heavy Chain Variable Region, S2L20 Fab Light Chain Variable Region, ...
Authors:McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2021-06-14
Release date:2021-07-14
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
7N8H
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BU of 7n8h by Molmil
SARS-CoV-2 S (B.1.429 / epsilon variant) + S2M11 + S2L20 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-14
Release date:2021-07-14
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:SARS-CoV-2 immune evasion by the B.1.427/B.1.429 variant of concern.
Science, 373, 2021
6HCW
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BU of 6hcw by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ...
Authors:Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HCV
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BU of 6hcv by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand
Descriptor: 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase
Authors:Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HCU
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BU of 6hcu by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ...
Authors:Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H.
Deposit date:2018-08-16
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis.
Proc.Natl.Acad.Sci.USA, 116, 2019
3T7C
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BU of 3t7c by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to NAD
Descriptor: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-29
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017

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