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4WA4
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BU of 4wa4 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
6TAV
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BU of 6tav by Molmil
Crystal structure of endopeptidase-induced alpha2-macroglobulin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin, ...
Authors:Gomis-Ruth, F.X, Duquerroy, S, Trapani, S, Marrero, A, Goulas, T, Guevara, T, Andersen, G.A, Sottrup-Jensen, L, Navaza, J.
Deposit date:2019-10-30
Release date:2021-05-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Cryo-EM structures shows the mechanistic basis of pan-peptidase inhibition by human alpha2-macroglobulin
Proc.Natl.Acad.Sci.USA, 2022
3CTH
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BU of 3cth by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
Descriptor: Hepatocyte growth factor receptor, N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
Authors:Sack, J.
Deposit date:2008-04-14
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CGD
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BU of 3cgd by Molmil
Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Wallen, J.R.
Deposit date:2008-03-05
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity.
Biochemistry, 47, 2008
7QVK
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BU of 7qvk by Molmil
NM-02 in complex with HER2-ECD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NM-02, Receptor tyrosine-protein kinase erbB-2, ...
Authors:Cowan, R, Hall, G, Carr, M.
Deposit date:2022-01-21
Release date:2023-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool.
Plos One, 18, 2023
3CHN
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BU of 3chn by Molmil
Solution structure of human secretory IgA1
Descriptor: Ig alpha-1 chain C region, Immunoglobulin kappa light chain, Secretory component
Authors:Bonner, A, Almogren, A, Furtado, P.B, Kerr, M.A, Perkins, S.J.
Deposit date:2008-03-10
Release date:2008-12-30
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Location of secretory component on the Fc edge of dimeric IgA1 reveals insight into the role of secretory IgA1 in mucosal immunity.
Mucosal Immunol, 2, 2009
4D9U
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BU of 4d9u by Molmil
Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Descriptor: Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
Authors:Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J.
Deposit date:2012-01-12
Release date:2012-04-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
5XSG
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BU of 5xsg by Molmil
Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED
Descriptor: RNA-binding protein FUS
Authors:Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C.
Deposit date:2017-06-14
Release date:2018-04-04
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.73 Å)
Cite:Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
3CKQ
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BU of 3ckq by Molmil
Crystal Structure of a Mycobacterial Protein
Descriptor: MANGANESE (II) ION, Putative uncharacterized protein, SULFATE ION, ...
Authors:Marland, Z, Rossjohn, J.
Deposit date:2008-03-16
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a UDP-glucose-specific glycosyltransferase from a Mycobacterium species.
J.Biol.Chem., 283, 2008
3CTO
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BU of 3cto by Molmil
Crystal Structure of M. tuberculosis YefM antitoxin
Descriptor: SULFATE ION, Uncharacterized protein Rv3357/MT3465
Authors:Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C.
Deposit date:2008-04-14
Release date:2008-12-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein
J.Mol.Biol., 383, 2008
1KPU
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BU of 1kpu by Molmil
High resolution crystal structure of the MHC class I complex H-2Kb/VSV8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rudolph, M.G, Wilson, I.A.
Deposit date:2002-01-02
Release date:2003-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High Resolution Crystal Structure of H-2Kb/VSV8
To be Published
2HYU
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BU of 2hyu by Molmil
Human Annexin A2 with heparin tetrasaccharide bound
Descriptor: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Annexin A2, CALCIUM ION
Authors:Shao, C, Head, J.F, Seaton, B.A.
Deposit date:2006-08-07
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystallographic Analysis of Calcium-dependent Heparin Binding to Annexin A2.
J.Biol.Chem., 281, 2006
3CUT
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BU of 3cut by Molmil
Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamide
Descriptor: Glycogen phosphorylase, muscle form, N-[(naphthalen-2-ylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
Authors:Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-04-17
Release date:2009-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides
To be Published
3CLH
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BU of 3clh by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS)from Helicobacter pylori
Descriptor: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Wang, W.C, Liu, J.S, Cheng, W.C, Wang, H.J, Chen, Y.C.
Deposit date:2008-03-19
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based inhibitor discovery of Helicobacter pylori dehydroquinate synthase.
Biochem.Biophys.Res.Commun., 373, 2008
3CLZ
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BU of 3clz by Molmil
The set and ring associated (SRA) domain of UHRF1 bound to methylated DNA
Descriptor: 5'-D(*DCP*DCP*DCP*DTP*DGP*DCP*DGP*DGP*DGP*DCP*DCP*DC)-3', 5'-D(*DGP*DGP*DGP*DCP*DCP*(5CM)P*DGP*DCP*DAP*DGP*DGP*DG)-3', E3 ubiquitin-protein ligase UHRF1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-03-20
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.
Nature, 455, 2008
3CV2
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BU of 3cv2 by Molmil
Atomic Resolution Structures of Escherichia coli and Bacillis anthracis Malate Synthase A: Comparison with Isoform G and Implications for Structure Based Drug Design
Descriptor: COENZYME A, MAGNESIUM ION, Malate synthase A, ...
Authors:Lohman, J.R, Remington, S.J.
Deposit date:2008-04-17
Release date:2008-11-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery
Protein Sci., 17, 2008
3CVV
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BU of 3cvv by Molmil
Drosophila melanogaster (6-4) photolyase bound to ds DNA with a T-T (6-4) photolesion and F0 cofactor
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DGP*DGP*(64T)P*(5PY)P*DGP*DCP*DAP*DGP*DGP*DT)-3'), ...
Authors:Glas, A.F, Maul, M.J, Cryle, M.J, Barends, T.R.M, Schneider, S, Kaya, E, Schlichting, I, Carell, T.
Deposit date:2008-04-20
Release date:2009-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The archaeal cofactor F0 is a light-harvesting antenna chromophore in eukaryotes.
Proc.Natl.Acad.Sci.USA, 106, 2009
9L1N
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BU of 9l1n by Molmil
Structure of Western equine encephalitis virus 71V1658 strain VLP in complex with human PCDH10 EC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid glycoprotein, E1 glycoprotein, ...
Authors:Cao, D, Ma, B, Cao, Z, Zhang, X, Xiang, Y.
Deposit date:2024-12-15
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for the recognition of two different types of receptors by Western equine encephalitis virus.
Cell Rep, 44, 2025
3CXI
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BU of 3cxi by Molmil
Structure of BthTX-I complexed with alpha-tocopherol
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Myotoxic phospholipase A2-like, SULFATE ION, ...
Authors:dos Santos, J.I, Fontes, M.R.M.
Deposit date:2008-04-24
Release date:2009-05-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Comparative structural studies on Lys49-phospholipases A(2) from Bothrops genus reveal their myotoxic site.
J.Struct.Biol., 167, 2009
6Y0F
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BU of 6y0f by Molmil
Structure of human FAPalpha in complex with linagliptin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione, ...
Authors:Nar, H, Schnapp, G, Schreiner, P.
Deposit date:2020-02-07
Release date:2021-02-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.924 Å)
Cite:Structure of human FAPalpha in complex with linagliptin
To Be Published
3CN7
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BU of 3cn7 by Molmil
Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- MONOCLINIC CRYSTAL FORM
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carboxylesterase
Authors:Pesaresi, A, Lamba, D.
Deposit date:2008-03-25
Release date:2009-03-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Insights into the fatty acid chain length specificity of the carboxylesterase PA3859 from Pseudomonas aeruginosa: A combined structural, biochemical and computational study.
Biochimie, 92, 2010
3CNJ
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BU of 3cnj by Molmil
Cholesterol oxidase from Streptomyces sp. F359W mutant (0.95A)
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Lyubimov, A.Y, Brammer, L, Vrielink, A.
Deposit date:2008-03-25
Release date:2008-04-29
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:The binding and release of oxygen and hydrogen peroxide are directed by a hydrophobic tunnel in cholesterol oxidase
Biochemistry, 47, 2008
3COL
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BU of 3col by Molmil
Crystal structure of putative transcription regulator from Lactobacillus plantarum
Descriptor: GLYCEROL, Putative transcription regulator
Authors:Chang, C, Bigelow, L, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-28
Release date:2008-04-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of putative transcription regulator from Lactobacillus plantarum.
To be Published
3CP1
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BU of 3cp1 by Molmil
Structure of a longer thermalstable core domain of HIV-1 gp41 containing the enfuvirtide resistance mutation N43D
Descriptor: Transmembrane Protein
Authors:Wang, Z.M, Dwyer, J.J.
Deposit date:2008-03-30
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
3CY0
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BU of 3cy0 by Molmil
Crystal structure of cytochrome P450 CYP121 S237A mutant from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterisation of active site structure of cytochrome CYP121
TO BE PUBLISHED

238582

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