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4KWC
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BU of 4kwc by Molmil
Structure of the plantazolicin methyltransferase BpumL in complex with SAH
Descriptor: BpumL, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Hao, Y, Nair, S.K.
Deposit date:2013-05-23
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Structural and functional insight into an unexpectedly selective N-methyltransferase involved in plantazolicin biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MHB
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BU of 4mhb by Molmil
Structure of a putative reductase from Yersinia pestis
Descriptor: Putative aldo/keto reductase, SULFATE ION
Authors:Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-08-29
Release date:2013-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of a putative reductase from Yersinia pestis
To be Published
4LHP
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BU of 4lhp by Molmil
Crystal Structure of Native FG41Malonate Semialdehyde Decarboxylase
Descriptor: FG41 Malonate Semialdehyde Decarboxylase, PHOSPHATE ION, SULFATE ION
Authors:Guo, Y, Serrano, H, Poelarends, G.J, Johnson Jr, W.H, Hackert, M.L, Whitman, C.P.
Deposit date:2013-07-01
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Kinetic, Mutational, and Structural Analysis of Malonate Semialdehyde Decarboxylase from Coryneform Bacterium Strain FG41: Mechanistic Implications for the Decarboxylase and Hydratase Activities.
Biochemistry, 52, 2013
4MLG
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BU of 4mlg by Molmil
Structure of RS223-Beta-xylosidase
Descriptor: Beta-xylosidase, CALCIUM ION, SULFATE ION
Authors:Jordan, D, Braker, J, Wagschal, K, Lee, C, Dubrovska, I, Anderson, S, Wawrzak, Z.
Deposit date:2013-09-06
Release date:2014-09-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of RS223-Beta-xylosidase
To be Published
4OHN
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BU of 4ohn by Molmil
Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
Descriptor: ABC transporter substrate-binding protein, ACETATE ION, HISTIDINE
Authors:Brunzelle, J.S, Wawrzak, W, Yim, Y, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-17
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of an ABC uptake transporter substrate binding protein from Streptococcus pneumoniae with Bound Histidine
To be Published
4OMV
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BU of 4omv by Molmil
Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
Descriptor: Macrophage growth locus, subunit A
Authors:Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-27
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
TO BE PUBLISHED
3M8A
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BU of 3m8a by Molmil
Crystal Structure of Swine Flu Virus NS1 N-Terminal RNA Binding Domain from H1N1 Influenza A/California/07/2009
Descriptor: ACETATE ION, MALONATE ION, Nonstructural protein 1, ...
Authors:Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-03-17
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Swine Flu Virus NS1 N-Terminal RNA Binding Domain from H1N1 Influenza A/California/07/2009
To be Published
3N84
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BU of 3n84 by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a 23-Membered Macrocyclic Ligand Having the Sequence pYVNVP
Descriptor: 23-membered peptide-like macrocyclic ligand, CHLORIDE ION, GLYCEROL, ...
Authors:Clements, J.H, Martin, S.F.
Deposit date:2010-05-27
Release date:2011-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
3N08
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BU of 3n08 by Molmil
Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog CT736 from Chlamydia trachomatis D/UW-3/CX
Descriptor: CALCIUM ION, CHLORIDE ION, Putative PhosphatidylEthanolamine-Binding Protein (PEBP)
Authors:Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-05-13
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25 Angstrom Crystal Structure of a Putative PhosphatidylEthanolamine-Binding Protein (PEBP) Homolog CT736 from Chlamydia trachomatis D/UW-3/CX
To be Published
3N0L
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BU of 3n0l by Molmil
Crystal structure of serine hydroxymethyltransferase from Campylobacter jejuni
Descriptor: SULFATE ION, Serine hydroxymethyltransferase
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Hasseman, J, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-05-14
Release date:2010-05-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of serine hydroxymethyltransferase from Campylobacter jejuni
TO BE PUBLISHED
3N7Y
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BU of 3n7y by Molmil
Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV
Descriptor: 20-membered peptide-like macrocyclic ligand, Growth factor receptor-bound protein 2
Authors:Whiddon, B.B, Clements, J.H, Martin, S.F.
Deposit date:2010-05-27
Release date:2011-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.
ACS MED.CHEM.LETT., 1, 2010
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
Descriptor: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
Authors:Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
Deposit date:2010-06-09
Release date:2010-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
6F0K
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BU of 6f0k by Molmil
Alternative complex III
Descriptor: ActD, ActF, ActH, ...
Authors:Sousa, J.S, Calisto, F, Mills, D.J, Pereira, M.M, Vonck, J, Kuehlbrandt, W.
Deposit date:2017-11-20
Release date:2018-05-09
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Structural basis for energy transduction by respiratory alternative complex III.
Nat Commun, 9, 2018
3NX4
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BU of 3nx4 by Molmil
Crystal structure of the yhdH oxidoreductase from Salmonella enterica in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative oxidoreductase
Authors:Anderson, S.M, Wawrzak, Z, Peterson, S, Onopriyenko, O, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-12
Release date:2010-08-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the yhdH oxidoreductase from Salmonella enterica in complex with NADP
To be Published
3O04
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BU of 3o04 by Molmil
Crystal structure of the beta-keto-acyl carrier protein synthase II (lmo2201) from Listeria monocytogenes
Descriptor: beta-keto-acyl carrier protein synthase II
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-19
Release date:2010-08-04
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the beta-keto-acyl carrier protein synthase II (lmo2201) from Listeria monocytogenes
To be Published
2VJ8
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BU of 2vj8 by Molmil
Complex of human leukotriene A4 hydrolase with a hydroxamic acid inhibitor
Descriptor: 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID), ACETATE ION, IMIDAZOLE, ...
Authors:Thunnissen, M.M.G.M, Andersson, B, Wong, C.-H, Samuelsson, B, Haeggstrom, J.Z.
Deposit date:2007-12-07
Release date:2008-01-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Leukotriene A4 Hydrolase in Complex with Captopril and Two Competitive Tight-Binding Inhibitors
Faseb J., 16, 2002
2WHR
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BU of 2whr by Molmil
Crystal structure of acetylcholinesterase in complex with K027
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.-G, Schneider, G, Pang, Y.-P.
Deposit date:2009-05-06
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
2WNE
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BU of 2wne by Molmil
Mutant Laminarinase 16A cyclizes laminariheptaose
Descriptor: PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Vasur, J, Kawai, R, Andersson, E, Widmalm, G, Jonsson, K.H.M, Hansson, H, Engstrom, A, Einarsson, E, Forsberg, Z, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J.
Deposit date:2009-07-09
Release date:2010-01-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.124 Å)
Cite:Synthesis of Cyclic Beta-Glucan Using Laminarinase 16A Glycosynthase Mutant from the Basidiomycete Phanerochaete Chrysosporium.
J.Am.Chem.Soc., 132, 2010
3OD6
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BU of 3od6 by Molmil
Crystal structure of p38alpha Y323T active mutant
Descriptor: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Livnah, O, Tzarum, N.
Deposit date:2010-08-11
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:Active mutants of the TCR-mediated p38alpha alternative activation site show changes in the phosphorylation lip and DEF site formation.
J.Mol.Biol., 405, 2011
6F36
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BU of 6f36 by Molmil
Polytomella Fo model
Descriptor: Mitochondrial ATP synthase subunit 6, Mitochondrial ATP synthase subunit ASA6, Mitochondrial ATP synthase subunit c
Authors:Yildiz, O, Kuehlbrandt, W, Klusch, N, Murphy, B.J, Mills, D.J.
Deposit date:2017-11-28
Release date:2017-12-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of proton translocation and force generation in mitochondrial ATP synthase.
Elife, 6, 2017
2X41
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BU of 2x41 by Molmil
Structure of beta-glucosidase 3B from Thermotoga neapolitana in complex with glucose
Descriptor: BETA-GLUCOSIDASE, BROMIDE ION, beta-D-glucopyranose
Authors:Pozzo, T, Karlsson, E.N, Logan, D.T.
Deposit date:2010-01-28
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Functional Analysis of Beta-Glucosidase 3B from Thermotoga Neapolitana: A Thermostable 3-Domain Representative of Glycoside Hydrolase Family 3
J.Mol.Biol., 397, 2010
6FHZ
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BU of 6fhz by Molmil
Inward-facing conformation of a multidrug resistance MATE family transporter of the MOP superfamily.
Descriptor: Putative MOP flippase
Authors:Zakrzewska, S, Safarian, S, Michel, H.
Deposit date:2018-01-16
Release date:2019-05-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inward-facing conformation of a multidrug resistance MATE family transporter.
Proc.Natl.Acad.Sci.USA, 116, 2019
6F0E
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BU of 6f0e by Molmil
Structure of yeast Sec14p with a picolinamide compound
Descriptor: SEC14 cytosolic factor, ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-bromanyl-3-fluoranyl-pyridine-2-carboxamide
Authors:Hong, Z, Johnen, P, Schaaf, G, Bono, F.
Deposit date:2017-11-20
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Target Identification and Mechanism of Action of Picolinamide and Benzamide Chemotypes with Antifungal Properties.
Cell Chem Biol, 25, 2018
3OCG
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BU of 3ocg by Molmil
P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor
Descriptor: 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2010-08-10
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:5-Amino-pyrazoles as potent and selective p38α inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
2X42
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BU of 2x42 by Molmil
Structure of beta-glucosidase 3B from Thermotoga neapolitana in complex with alpha-D-glucose
Descriptor: BETA-GLUCOSIDASE, BROMIDE ION, alpha-D-glucopyranose
Authors:Pozzo, T, Karlsson, E.N, Logan, D.T.
Deposit date:2010-01-28
Release date:2010-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural and Functional Analysis of Beta-Glucosidase 3B from Thermotoga Neapolitana: A Thermostable 3-Domain Representative of Glycoside Hydrolase Family 3
J.Mol.Biol., 397, 2010

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