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4HU4
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BU of 4hu4 by Molmil
Crystal structure of EAL domain of the E. coli DosP - dimeric form
Descriptor: Oxygen sensor protein DosP
Authors:Tarnawski, M, Barends, T.R.M, Hartmann, E, Schlichting, I.
Deposit date:2012-11-02
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the catalytic EAL domain of the Escherichia coli direct oxygen sensor.
Acta Crystallogr.,Sect.D, 69, 2013
4HUV
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BU of 4huv by Molmil
Crystal Structure of H2Db-NPM6W
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Gras, S, Twist, K.A, Rossjohn, J.
Deposit date:2012-11-04
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preemptive priming readily overcomes structure-based mechanisms of virus escape.
Proc.Natl.Acad.Sci.USA, 110, 2013
3RYA
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BU of 3rya by Molmil
Lactococcal OppA complexed with SLSQLSSQS
Descriptor: Oligopeptide, Oligopeptide-binding protein oppA
Authors:Berntsson, R.P.-A, Thunnissen, A.-M.W.H, Poolman, B, Slotboom, D.-J.
Deposit date:2011-05-11
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Importance of a Hydrophobic Pocket for Peptide Binding in Lactococcal OppA.
J.Bacteriol., 193, 2011
4E3K
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BU of 4e3k by Molmil
Crystal structure of AmpC beta-lactamase in complex with a designed 4-tetrazolyl pyridine sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4299 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
2ITB
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BU of 2itb by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE TRNA-(MS(2)IO(6)A)-HYDROXYLASE (PP_2188) FROM PSEUDOMONAS PUTIDA KT2440 AT 2.05 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, PEROXIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-10-19
Release date:2006-11-07
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of putative tRNA-(ms(2)io(6)a)-hydroxylase (NP_744337.1) from Pseudomonas Putida KT2440 at 2.05 A resolution
To be published
4E3U
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BU of 4e3u by Molmil
Crystal Structure of Hen Egg White Lysozyme Cryoprotected in Proline
Descriptor: CHLORIDE ION, Lysozyme C, PROLINE
Authors:Tanner, J.J, Pemberton, T.A.
Deposit date:2012-03-10
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4E1E
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BU of 4e1e by Molmil
Crystal structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(n-hexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
Authors:Aripirala, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2012-03-06
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
3S3M
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BU of 3s3m by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and Dolutegravir (S/GSK1349572)
Descriptor: (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2011-05-18
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572).
Mol.Pharmacol., 80, 2011
2NO2
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BU of 2no2 by Molmil
Crystal structure of the DLLRKN-containing coiled-coil domain of Huntingtin-interacting protein 1
Descriptor: Huntingtin-interacting protein 1
Authors:Ybe, J.A, Mishra, S, Helms, S, Nix, J.
Deposit date:2006-10-24
Release date:2007-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure at 2.8 A of the DLLRKN-containing coiled-coil domain of huntingtin-interacting protein 1 (HIP1) reveals a surface suitable for clathrin light chain binding
J.Mol.Biol., 367, 2007
2NQO
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BU of 2nqo by Molmil
Crystal Structure of Helicobacter pylori gamma-Glutamyltranspeptidase
Descriptor: Gamma-glutamyltranspeptidase
Authors:Boanca, G, Sand, A, Okada, T, Suzuki, H, Kumagai, H, Fukuyama, K, Barycki, J.J.
Deposit date:2006-10-31
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Autoprocessing of Helicobacter pylori gamma-glutamyltranspeptidase leads to the formation of a threonine-threonine catalytic dyad.
J.Biol.Chem., 282, 2007
3F0G
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BU of 3f0g by Molmil
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with CMP
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-24
Release date:2008-11-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
4HK0
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BU of 4hk0 by Molmil
UCA Fab (unbound) from CH65-CH67 Lineage
Descriptor: UCA heavy chain, UCA light chain
Authors:Schmidt, A.G, Harrison, S.C.
Deposit date:2012-10-14
Release date:2012-11-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Preconfiguration of the antigen-binding site during affinity maturation of a broadly neutralizing influenza virus antibody.
Proc.Natl.Acad.Sci.USA, 110, 2013
3S27
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BU of 3s27 by Molmil
The crystal structure of sucrose synthase-1 from Arabidopsis thaliana and its functional implications.
Descriptor: MALONIC ACID, POTASSIUM ION, SULFATE ION, ...
Authors:Zheng, Y, Garavito, R.M.
Deposit date:2011-05-16
Release date:2011-08-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The Structure of Sucrose Synthase-1 from Arabidopsis thaliana and Its Functional Implications.
J.Biol.Chem., 286, 2011
3S77
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BU of 3s77 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3F00
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BU of 3f00 by Molmil
Crystal Structure of Synaptotagmin I C2A domain with Cu(II)
Descriptor: COPPER (II) ION, SULFATE ION, Synaptotagmin-1
Authors:Guo, F, Dakshinamurthy, R, Thallapuranam, S.K.K, Sakon, J.
Deposit date:2008-10-24
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structure of Synaptotagmin I C2A
To be Published
3S9K
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BU of 3s9k by Molmil
Crystal structure of the Itk SH2 domain.
Descriptor: CITRIC ACID, Tyrosine-protein kinase ITK/TSK
Authors:Joseph, R.E, Ginder, N.D, Hoy, J.A, Nix, J.C, Fulton, B.D, Honzatko, R.B, Andreotti, A.H.
Deposit date:2011-06-01
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Structure of the interleukin-2 tyrosine kinase Src homology 2 domain; comparison between X-ray and NMR-derived structures.
Acta Crystallogr.,Sect.F, 68, 2012
3F0F
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BU of 3f0f by Molmil
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with hydrolyzed CDP
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-24
Release date:2008-11-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4E3N
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BU of 4e3n by Molmil
Crystal structure of AmpC beta-lactamase in complex with a 2-trifluoromethyl-4-tetrazolyl benzene sulfonamide boronic acid inhibitor
Descriptor: Beta-lactamase, PHOSPHATE ION, [({[4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
Authors:Eidam, O, Shoichet, B.K.
Deposit date:2012-03-09
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo.
Proc.Natl.Acad.Sci.USA, 109, 2012
4DCB
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BU of 4dcb by Molmil
Y. pestis Plasminogen Activator Pla in Complex with Human Plasminogen Activation Loop Peptide ALP11
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ...
Authors:Eren, E, van den Berg, B.
Deposit date:2012-01-17
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Structural basis for activation of an integral membrane protease by lipopolysaccharide.
J.Biol.Chem., 287, 2012
4HU1
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BU of 4hu1 by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor.
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2012-11-02
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
Bioorg.Med.Chem., 21, 2013
4E5E
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BU of 4e5e by Molmil
Crystal structure of avian influenza virus PAn Apo
Descriptor: MANGANESE (II) ION, Polymerase protein PA, SULFATE ION
Authors:DuBois, R.M, White, S.W.
Deposit date:2012-03-14
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease.
Plos Pathog., 8, 2012
3SKN
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BU of 3skn by Molmil
Crystal structure of the RL42 TCR unliganded
Descriptor: RL42 T cell receptor, alpha chain, beta chain
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SHT
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BU of 3sht by Molmil
Crystal structure of human MCPH1 tandem BRCT domains
Descriptor: Microcephalin
Authors:Shao, Z.H, Li, F.D, Yan, W.
Deposit date:2011-06-17
Release date:2011-12-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Specific recognition of phosphorylated tail of H2AX by the tandem BRCT domains of MCPH1 revealed by complex structure
J.Struct.Biol., 177, 2012
4HP1
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BU of 4hp1 by Molmil
Crystal structure of Tet3 in complex with a non-CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), LOC100036628 protein, ZINC ION
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
3F9A
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BU of 3f9a by Molmil
W354F Yersinia enterocolitica PTPase complexed with tungstate
Descriptor: TUNGSTATE(VI)ION, Tyrosine-protein phosphatase yopH
Authors:Brandao, T.A.S, Robinson, H, Johnson, S.J, Hengge, A.C.
Deposit date:2008-11-13
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Impaired acid catalysis by mutation of a protein loop hinge residue in a YopH mutant revealed by crystal structures.
J.Am.Chem.Soc., 131, 2009

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