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4G4X
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BU of 4g4x by Molmil
Crystal structure of peptidoglycan-associated lipoprotein from Acinetobacter baumannii
Descriptor: D-ALANINE, GLYCEROL, Peptidoglycan-associated lipoprotein, ...
Authors:Lee, W.C, Song, J.H, Park, J.S, Kim, H.Y.
Deposit date:2012-07-16
Release date:2013-07-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enantiomer-dependent amino acid binding affinity of OmpA-like domains from Acinetobacter baumannii peptidoglycan-associated lipoprotein and OmpA
To be Published
3UE3
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BU of 3ue3 by Molmil
Crystal structure of Acinetobacter baumanni PBP3
Descriptor: Septum formation, penicillin binding protein 3, peptidoglycan synthetase
Authors:Han, S.
Deposit date:2011-10-28
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Distinctive attributes of beta-lactam target proteins in Acinetobacter baumannii relevant to development of new antibiotics
J.Am.Chem.Soc., 133, 2011
3V47
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BU of 3v47 by Molmil
Crystal structure of the N-terminal fragment of zebrafish TLR5 in complex with Salmonella flagellin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Flagellin, ...
Authors:Yoon, S.I, Hong, H, Wilson, I.A.
Deposit date:2011-12-14
Release date:2012-02-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural basis of TLR5-flagellin recognition and signaling.
Science, 335, 2012
3UED
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BU of 3ued by Molmil
Crystal structure of human Survivin bound to histone H3 phosphorylated on threonine-3 (C2 space group).
Descriptor: Baculoviral IAP repeat-containing protein 5, N-terminal fragment of histone H3, ZINC ION
Authors:Niedzialkowska, E, Porebski, P.J, Wang, F, Higgins, J.M, Stukenberg, P.T, Minor, W.
Deposit date:2011-10-30
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis for phosphospecific recognition of histone H3 tails by Survivin paralogues at inner centromeres.
Mol.Biol.Cell, 23, 2012
3V5C
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BU of 3v5c by Molmil
Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Mandelate racemase/muconate lactonizing protein
Authors:Fedorov, A.A, Fedorov, E.V, Groninger-Poe, F, Gerlt, J.A, Almo, S.C.
Deposit date:2011-12-16
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of the mutant E234A of Galacturonate Dehydratase from GEOBACILLUS SP. complexed with Mg
To be Published
4G5O
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BU of 4g5o by Molmil
Structure of LGN GL4/Galphai3(Q147L) complex
Descriptor: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
Deposit date:2012-07-18
Release date:2012-09-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
3V5W
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BU of 3v5w by Molmil
Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine
Descriptor: G-protein coupled receptor kinase 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Thal, D.M, Tesmer, J.J.G.
Deposit date:2011-12-17
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Paroxetine is a direct inhibitor of g protein-coupled receptor kinase 2 and increases myocardial contractility.
Acs Chem.Biol., 7, 2012
4OF8
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BU of 4of8 by Molmil
Crystal Structure of Rst D1-D2
Descriptor: GLYCEROL, Irregular chiasm C-roughest protein, SODIUM ION
Authors:Ozkan, E, Garcia, K.C.
Deposit date:2014-01-14
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
4OQ2
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BU of 4oq2 by Molmil
5hmC specific restriction endonuclease PvuRTs1I
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Restriction endonuclease PvuRts1 I
Authors:Kazrani, A.A, Kowalska, M, Czapinska, H, Bochtler, M.
Deposit date:2014-02-07
Release date:2014-03-12
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the 5hmC specific endonuclease PvuRts1I.
Nucleic Acids Res., 42, 2014
3UFS
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BU of 3ufs by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-chloro-5-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
4OQD
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BU of 4oqd by Molmil
Crystal structure of the tylM1 N,N-dimethyltransferase in complex with SAH and TDP-Qui3NMe2
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, TDP-3,6-dideoxy-3-N,N-dimethylglucose, dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2014-02-08
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Production of a novel N-monomethylated dideoxysugar.
Biochemistry, 53, 2014
3V6N
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BU of 3v6n by Molmil
Crystal structure of a plant albumin from Cicer Arietinum showing hemagglutination
Descriptor: CALCIUM ION, CHLORIDE ION, IODIDE ION, ...
Authors:Sharma, U, Suresh, C.G.
Deposit date:2011-12-20
Release date:2012-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a plant albumin from Cicer arietinum (chickpea) possessing hemopexin fold and hemagglutination activity
Planta, 2015
4OGD
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BU of 4ogd by Molmil
Crystal structure of succinic semialdehyde dehydrogenase from Streptococcus pyogenes in complex with NADP+ as the cofactor
Descriptor: Succinate-semialdehyde dehydrogenase
Authors:Jang, E.H, Park, S.A, Chi, Y.M, Lee, K.S.
Deposit date:2014-01-15
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Kinetic and Structural Characterization for Cofactor Preference of Succinic Semialdehyde Dehydrogenase from Streptococcus pyogenes.
Mol.Cells, 37, 2014
3UGD
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BU of 3ugd by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
4OQU
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BU of 4oqu by Molmil
Structure of the SAM-I/IV riboswitch (env87(deltaU92))
Descriptor: MAGNESIUM ION, S-ADENOSYLMETHIONINE, SAM-I/IV riboswitch
Authors:Trausch, J.J, Reyes, F.E, Edwards, A.L, Batey, R.T.
Deposit date:2014-02-10
Release date:2014-06-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for diversity in the SAM clan of riboswitches.
Proc.Natl.Acad.Sci.USA, 111, 2014
4OR1
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BU of 4or1 by Molmil
Structure and mechanism of fibronectin binding and biofilm formation of enteroaggregative Escherischia coli AAF fimbriae
Descriptor: ACETATE ION, Invasin homolog AafB, Major fimbrial subunit of aggregative adherence fimbria II AafA chimeric construct, ...
Authors:Lee, W.-C, Garnett, J.A, Yang, Y, Matthews, S.
Deposit date:2014-02-10
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
3UH2
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BU of 3uh2 by Molmil
Tankyrase-1 in complexed with PJ34
Descriptor: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, SULFATE ION, Tankyrase-1, ...
Authors:Kirby, C.A, Stams, T.
Deposit date:2011-11-03
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human tankyrase 1 in complex with small-molecule inhibitors PJ34 and XAV939.
Acta Crystallogr.,Sect.F, 68, 2012
4GAP
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BU of 4gap by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with NAD+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase
Authors:Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J.
Deposit date:2012-07-25
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
3V7D
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BU of 3v7d by Molmil
Crystal Structure of ScSkp1-ScCdc4-pSic1 peptide complex
Descriptor: Cell division control protein 4, Protein SIC1, Suppressor of kinetochore protein 1
Authors:Tang, X, Orlicky, S, Mittag, T, Csizmok, V, Pawson, T, Forman-Kay, J, Sicheri, F, Tyers, M.
Deposit date:2011-12-20
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:Composite low affinity interactions dictate recognition of the cyclin-dependent kinase inhibitor Sic1 by the SCFCdc4 ubiquitin ligase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OR7
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BU of 4or7 by Molmil
Klebsiella pneumoniae dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
Descriptor: 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lamb, K.M, Anderson, A.C.
Deposit date:2014-02-11
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structures of Klebsiella pneumoniae Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal Features for Potency and Selectivity.
Antimicrob.Agents Chemother., 58, 2014
3UHE
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BU of 3uhe by Molmil
HBI (M37V,L73I) CO bound
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E.
Deposit date:2011-11-03
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures.
Proc.Natl.Acad.Sci.USA, 109, 2012
4OIV
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BU of 4oiv by Molmil
Structural basis for small molecule NDB as a selective antagonist of FXR
Descriptor: Bile acid receptor, N-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide
Authors:Xu, X, Chen, L, Hu, L, Shen, X.
Deposit date:2014-01-20
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Small Molecule NDB (N-Benzyl-N-(3-(tert-butyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) Benzamide) as a Selective Antagonist of Farnesoid X Receptor alpha (FXR alpha ) in Stabilizing the Homodimerization of the Receptor.
J.Biol.Chem., 290, 2015
3UHO
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BU of 3uho by Molmil
Crystal Structure of Glutamate Racemase from Campylobacter jejuni subsp. jejuni
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Maltseva, N, Mulligan, R, Kwon, K, Kim, Y, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-11-03
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Glutamate Racemase from Campylobacter jejuni subsp. jejuni
To be Published
4ORD
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BU of 4ord by Molmil
Crystal Structure of Zebra Fish Thioesterase Superfamily Member 2
Descriptor: Thioesterase Superfamily Member 2
Authors:Yu, S.S, Li, H, Gao, F, Xu, H, Gong, W.M.
Deposit date:2014-02-11
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Potential Physiological Role of Zebra Fish Thioesterase Superfamily Member 2 (fTHEM2)
To be Published
4OJB
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BU of 4ojb by Molmil
Crystal structure of W741L-AR-LBD
Descriptor: Androgen receptor, R-BICALUTAMIDE
Authors:Liu, J.S, Hsu, C.L, Wu, W.G.
Deposit date:2014-01-21
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis.
Mol Oncol, 8, 2014

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