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3WC9
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BU of 3wc9 by Molmil
The complex structure of HsSQS wtih ligand, FSPP
Descriptor: S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Squalene synthase
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-26
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCE
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BU of 3wce by Molmil
The complex structure of TcSQS with ligand, ER119884
Descriptor: (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Farnesyltransferase, putative
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-27
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCM
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BU of 3wcm by Molmil
The complex structure of HsSQS wtih ligand, ER119884
Descriptor: (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-28
Release date:2014-06-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
4H3Y
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BU of 4h3y by Molmil
Crystal structure of an asymmetric dimer of a tRNA (guanine-(N(1)-)-methyltransferase from Burkholderia phymatum bound to S-adenosyl homocystein in one half-site
Descriptor: CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-09-14
Release date:2012-10-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3EJ2
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BU of 3ej2 by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound 5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile, H32 crystal form
Descriptor: 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile, Inorganic pyrophosphatase
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 (2.12 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3VHO
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BU of 3vho by Molmil
Y61-gg insertion mutant of Tm-Cellulase 12A
Descriptor: Endo-1,4-beta-glucanase
Authors:Cheng, Y.-S, Ko, T.-P, Guo, R.-T, Liu, J.-R.
Deposit date:2011-08-30
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Enhanced activity of Thermotoga maritima cellulase 12A by mutating a unique surface loop
Appl.Microbiol.Biotechnol., 95, 2012
3EK2
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BU of 3ek2 by Molmil
Crystal structure of eonyl-(acyl carrier protein) reductase from burkholderia pseudomallei 1719b
Descriptor: CHLORIDE ION, Enoyl-(Acyl-carrier-protein) reductase (NADH)
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-18
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3V8H
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BU of 3v8h by Molmil
Crystal structure of Thymidylate Synthase from Burkholderia thailandensis
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Thymidylate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-12-22
Release date:2012-01-25
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
4EQY
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BU of 4eqy by Molmil
Crystal structure of Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase from Burkholderia thailandensis
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, HIS-HIS-HIS peptide
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-19
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4ELT
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BU of 4elt by Molmil
Snapshot of the large fragment of DNA polymerase I from Thermus Aquaticus processing modified pyrimidines
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5-[(4-ethynylphenyl)ethynyl]uridine 5'-(tetrahydrogen triphosphate), ACETATE ION, ...
Authors:Marx, A, Diederichs, K, Obeid, S.
Deposit date:2012-04-11
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interactions of non-polar and "Click-able" nucleotides in the confines of a DNA polymerase active site.
Chem.Commun.(Camb.), 48, 2012
3WCF
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BU of 3wcf by Molmil
The complex structure of HsSQS wtih ligand,BPH1218
Descriptor: Squalene synthase, hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-27
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
4E5R
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BU of 4e5r by Molmil
Crystal Structure of Frog DGCR8 Dimerization Domain
Descriptor: MGC78846 protein
Authors:Guo, F, Senturia, R, Laganowsky, A, Barr, I, Scheidemantle, B.D.
Deposit date:2012-03-14
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dimerization and heme binding are conserved in amphibian and starfish homologues of the microRNA processing protein DGCR8.
Plos One, 7, 2012
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
3WCJ
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BU of 3wcj by Molmil
The complex structure of HsSQS wtih ligand,E5700
Descriptor: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol, Squalene synthase
Authors:Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T.
Deposit date:2013-05-27
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3SZ1
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BU of 3sz1 by Molmil
Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ...
Authors:Puhl, A.C, Bernardes, A, Polikarpov, I.
Deposit date:2011-07-18
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mode of peroxisome proliferator-activated receptor gamma activation by luteolin.
Mol.Pharmacol., 81, 2012
4HGE
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BU of 4hge by Molmil
JAK2 kinase (JH1 domain) in complex with compound 8
Descriptor: N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2012-10-08
Release date:2012-10-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors.
J.Med.Chem., 55, 2012
3TZ0
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BU of 3tz0 by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/S-alpha-chloroisocaproate complex
Descriptor: (2S)-2-chloro-4-methylpentanoic acid, [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial
Authors:Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
Deposit date:2011-09-26
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EV4
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BU of 4ev4 by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1
Authors:Fonseca, F, Spencer, J.
Deposit date:2012-04-25
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
4E4T
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BU of 4e4t by Molmil
Crystal structure of Phosphoribosylaminoimidazole carboxylase, ATPase subunit from Burkholderia ambifaria
Descriptor: Phosphoribosylaminoimidazole carboxylase, ATPase subunit, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-03-13
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3UK1
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BU of 3uk1 by Molmil
Crystal structure of a transketolase from Burkholderia thailandensis with an oxidized cysteinesulfonic acid in the active site
Descriptor: CHLORIDE ION, SULFATE ION, Transketolase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-08
Release date:2011-11-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1N2E
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BU of 1n2e by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ETHANOL, GLYCEROL, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-10-22
Release date:2003-04-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate
Protein Sci., 12, 2003
4HSI
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BU of 4hsi by Molmil
Glycoprotein B from Herpes simplex virus type 1, A504P/R505G/Q507G/N511G mutant, low-pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Heldwein, E.E.
Deposit date:2012-10-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Extensive Mutagenesis of the HSV-1 gB Ectodomain Reveals Remarkable Stability of Its Postfusion Form.
J.Mol.Biol., 425, 2013
4HT4
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BU of 4ht4 by Molmil
Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus aureus
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (28-MER), ...
Authors:Edwards, J.S.
Deposit date:2012-10-31
Release date:2013-01-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:Molecular basis of antibiotic multiresistance transfer in Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HTE
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BU of 4hte by Molmil
Crystal Structure of the C-terminal domain of Nicking Enzyme from Staphylococcus aureus
Descriptor: CALCIUM ION, Nicking enzyme
Authors:Betts, L.
Deposit date:2012-11-01
Release date:2013-01-30
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular basis of antibiotic multiresistance transfer in Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 110, 2013
2OD4
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BU of 2od4 by Molmil
Crystal structure of a dimeric ferredoxin-like protein (jcvi_pep_1096665735785) from uncultured marine organism at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, hypothetical protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-12-21
Release date:2007-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of hypothetical protein (JCVI_PEP_1096665735785) from an environmental metagenome (unidentified marine microbe), Sorcerer II Global Ocean Sampling experiment at 1.70 A resolution
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