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4NQN
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Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
Descriptor: 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 9
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-25
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
To be Published
4NW2
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Tandem chromodomains of human CHD1 in complex with Influenza virus NS1 C-terminal tail trimethylated at K229
Descriptor: Chromodomain-helicase-DNA-binding protein 1, GLYCEROL, Nonstructural protein 1, ...
Authors:Qin, S, Tempel, W, Xu, C, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2013-12-05
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
4NW4
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Crystal structure of a DUF4822 family protein (EF0375) from Enterococcus faecalis V583 at 1.85 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Lipoprotein S-layer protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-12-05
Release date:2014-02-19
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a hypothetical protein (EF0375) from Enterococcus faecalis V583 at 1.85 A resolution
To be published
4MW4
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Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1473)
Descriptor: 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MVW
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Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MYB
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BU of 4myb by Molmil
Crystal Structure of Francisella tularensis 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD)
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Noble, S.M, Tsang, A.K, Couch, R.D.
Deposit date:2013-09-27
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Francisella tularensis 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD)
To be Published
4EV0
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Crystal Structure of Thermus thermophilus Catabolite Activator Protein
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Hudson, B.P, Turo, K, Birktoft, J.J, Lawson, C.L.
Deposit date:2012-04-25
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Crystal Structure of T. thermophilius Catabolite Activator Protein
To be Published
4EVI
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Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine
Descriptor: 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, ...
Authors:Wolters, S, Heine, A, Petersen, M.
Deposit date:2012-04-26
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
4N0W
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X-ray crystal structure of a serine hydroxymethyltransferase from Burkholderia cenocepacia with covalently attached pyridoxal phosphate
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SULFATE ION, Serine hydroxymethyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-10-02
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray crystal structure of a serine hydroxymethyltransferase from Burkholderia cenocepacia with covalently attached pyridoxal phosphate
To be Published
4N44
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Crystal structure of oxidized form of thiolase from Clostridium acetobutylicum
Descriptor: ACETATE ION, Acetyl-CoA acetyltransferase, GLYCEROL
Authors:Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
Deposit date:2013-10-08
Release date:2014-10-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural insight into redox-switch regulatory mechanism of thiolase from the n-butanol synthesizing bacterium, Clostridium acetobutylicum
to be published
4ES2
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BU of 4es2 by Molmil
Double-stranded Endonuclease Activity in B. halodurans Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR)-associated Cas2 Protein
Descriptor: BH0342 protein
Authors:Ke, A, Nam, K.H.
Deposit date:2012-04-21
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Double-stranded endonuclease activity in Bacillus halodurans clustered regularly interspaced short palindromic repeats (CRISPR)-associated Cas2 protein.
J. Biol. Chem., 287, 2012
4N4P
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Crystal Structure of N-acetylneuraminate lyase from Mycoplasma synoviae, crystal form I
Descriptor: Acylneuraminate lyase, CHLORIDE ION
Authors:Georgescauld, F, Popova, K, Gupta, A.J, Bracher, A, Engen, J.R, Hayer-Hartl, M, Hartl, F.U.
Deposit date:2013-10-08
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:GroEL/ES chaperonin modulates the mechanism and accelerates the rate of TIM-barrel domain folding.
Cell(Cambridge,Mass.), 157, 2014
4N5F
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Crystal Structure of a Putative acyl-CoA dehydrogenase with bound FADH2 from Burkholderia cenocepacia J2315
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Putative acyl-CoA dehydrogenase, UNKNOWN ATOM OR ION
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-10-09
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a Putative acyl-CoA dehydrogenase with bound FADH2 from Burkholderia cenocepacia J2315
TO BE PUBLISHED
4ESG
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X-ray structure of WDR5-MLL1 Win motif peptide binary complex
Descriptor: Histone-lysine N-methyltransferase MLL, WD repeat-containing protein 5
Authors:Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
Deposit date:2012-04-23
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
4N60
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Crystal structure of hemagglutinin from an H7N9 influenza virus in complex with LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2013-10-11
Release date:2013-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9032 Å)
Cite:Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
4ESV
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A New Twist on the Translocation Mechanism of Helicases from the Structure of DnaB with its Substrates
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', 5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', ...
Authors:Itsathitphaisarn, O, Wing, R.A, Eliason, W.K, Wang, J, Steitz, T.A.
Deposit date:2012-04-23
Release date:2012-10-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Hexameric Helicase DnaB Adopts a Nonplanar Conformation during Translocation.
Cell(Cambridge,Mass.), 151, 2012
4E52
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Crystal structure of Haemophilus Eagan 4A polysaccharide bound human lung surfactant protein D
Descriptor: 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid-(5-1)-L-glycero-alpha-D-manno-heptopyranose, CALCIUM ION, Pulmonary surfactant-associated protein D
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2012-03-13
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a Complex of Surfactant Protein D (SP-D) and Haemophilus influenzae Lipopolysaccharide Reveals Shielding of Core Structures in SP-D-Resistant Strains.
Infect.Immun., 84, 2016
4N62
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Crystal structure of hemagglutinin from an H7N9 influenza virus in complex with a sulfated receptor analog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2013-10-11
Release date:2013-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5026 Å)
Cite:Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
4N7J
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Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-15
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N6R
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Crystal structure of VosA-VelB-complex
Descriptor: SULFATE ION, VelB, VosA
Authors:Ahmed, Y.L, Dickmanns, A, Neumann, P, Ficner, R.
Deposit date:2013-10-14
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Velvet Family of Fungal Regulators Contains a DNA-Binding Domain Structurally Similar to NF-kappa B.
Plos Biol., 11, 2013
4E4G
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Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
Descriptor: Methylmalonate-semialdehyde dehydrogenase
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-12
Release date:2012-03-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of putative Methylmalonate-semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
To be Published
4E6M
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Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-15
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
To be Published
4E7W
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Structure of GSK3 from Ustilago maydis
Descriptor: Glycogen Synthase Kinase 3
Authors:Gruetter, C, Rauh, D.
Deposit date:2012-03-19
Release date:2012-05-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals.
Acs Chem.Biol., 7, 2012
4MQY
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Crystal Structure of the Escherichia coli LpxC/LPC-138 complex
Descriptor: 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-2-methyl-1-nitroso-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Lee, C.-J, Najeeb, J, Zhou, P.
Deposit date:2013-09-17
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
4MTH
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Crystal structure of mature human RegIIIalpha
Descriptor: Regenerating islet-derived protein 3-alpha 15 kDa form, ZINC ION
Authors:Derebe, M.G.
Deposit date:2013-09-19
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Antibacterial membrane attack by a pore-forming intestinal C-type lectin.
Nature, 505, 2013

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