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2M8T
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Solution NMR structure of the V209M variant of the human prion protein (residues 90-231)
Descriptor: Major prion protein
Authors:Mills, J.L, Surewicz, K, Surewicz, W, Soennichsen, F.D.
Deposit date:2013-05-28
Release date:2013-09-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Thermodynamic Stabilization of the Folded Domain of Prion Protein Inhibits Prion Infection in Vivo.
Cell Rep, 4, 2013
3IJG
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BU of 3ijg by Molmil
Macrophage Migration Inhibitory Factor (MIF) Bound to the (R)-Stereoisomer of AV1013
Descriptor: (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, CHLORIDE ION, Macrophage migration inhibitory factor
Authors:Crichlow, G.V, Cho, Y, Lolis, E.J.
Deposit date:2009-08-04
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast.
Proc.Natl.Acad.Sci.USA, 107, 2010
8OYT
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BU of 8oyt by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ...
Authors:Weckener, M, Naismith, J.H, Owens, R.J.
Deposit date:2023-05-05
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8PE2
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BU of 8pe2 by Molmil
Crystal structure of Gel4 in complex with Nanobody 3
Descriptor: 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 3, ...
Authors:Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R.
Deposit date:2023-06-13
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 2024
8PE1
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BU of 8pe1 by Molmil
Crystal structure of Gel4 in complex with Nanobody 4
Descriptor: 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 4, ...
Authors:Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R.
Deposit date:2023-06-13
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 2024
2MAT
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BU of 2mat by Molmil
E.COLI METHIONINE AMINOPEPTIDASE AT 1.9 ANGSTROM RESOLUTION
Descriptor: COBALT (II) ION, PROTEIN (METHIONINE AMINOPEPTIDASE), SODIUM ION
Authors:Lowther, W.T, Orville, A.M, Madden, D.T, Lim, S, Rich, D.H, Matthews, B.W.
Deposit date:1999-03-29
Release date:1999-06-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Escherichia coli methionine aminopeptidase: implications of crystallographic analyses of the native, mutant, and inhibited enzymes for the mechanism of catalysis.
Biochemistry, 38, 1999
8Q5W
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BU of 8q5w by Molmil
MgADP-bound Fe protein of the molybdenum nitrogenase from Methanocaldococcus infernus
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Maslac, N, Wagner, T.
Deposit date:2023-08-09
Release date:2024-05-15
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Febs J., 291, 2024
4Y14
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BU of 4y14 by Molmil
Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide, CHLORIDE ION, ...
Authors:Choy, M.S, Connors, C, Page, R, Peti, W.
Deposit date:2015-02-06
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:PTP1B inhibition suggests a therapeutic strategy for Rett syndrome.
J.Clin.Invest., 125, 2015
3IJE
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BU of 3ije by Molmil
Crystal structure of the complete integrin alhaVbeta3 ectodomain plus an Alpha/beta transmembrane fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xiong, J.-P, Mahalingham, B, Rui, X, Hyman, B.T, Goodman, S.L, Arnaout, M.A.
Deposit date:2009-08-04
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the complete integrin alphaVbeta3 ectodomain plus an alpha/beta transmembrane fragment.
J.Cell Biol., 186, 2009
2M41
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BU of 2m41 by Molmil
Solution Structure of the AXH domain of Ataxin-1 in complex with ligand peptide from Capicua
Descriptor: Ataxin-1, Protein capicua homolog
Authors:de Chiara, C, Kelly, G, Pastore, A.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein-Protein Interactions as a Strategy towards Protein-Specific Drug Design: The Example of Ataxin-1.
Plos One, 8, 2013
4XQA
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BU of 4xqa by Molmil
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0462
Descriptor: (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ...
Authors:Stehle, T, Liaci, A.M.
Deposit date:2015-01-19
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4072 Å)
Cite:Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
2MG8
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BU of 2mg8 by Molmil
Solution structure of TFF1 Estrogen Response Element complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
Descriptor: 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*GP*GP*TP*CP*AP*CP*GP*GP*TP*GP*GP*CP*CP*A)-3', 5'-D(*TP*GP*GP*CP*CP*AP*CP*CP*GP*TP*GP*AP*CP*CP*T)-3'
Authors:Lin, C.
Deposit date:2013-10-30
Release date:2014-04-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of a 2:1 complex of anticancer drug XR5944 with TFF1 estrogen response element: insights into DNA recognition by a bis-intercalator.
Nucleic Acids Res., 42, 2014
4XQB
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BU of 4xqb by Molmil
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461
Descriptor: 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ...
Authors:Stehle, T, Liaci, A.M.
Deposit date:2015-01-19
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
8F6Q
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BU of 8f6q by Molmil
CryoEM structure of designed modular protein oligomer C8-71
Descriptor: C8-71
Authors:Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G.
Deposit date:2022-11-17
Release date:2023-11-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies.
Biorxiv, 2023
8Q6M
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BU of 8q6m by Molmil
Human SOD1 low dose data collecton
Descriptor: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
Authors:Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
Deposit date:2023-08-14
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
8F6G
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BU of 8f6g by Molmil
Crystal structure of BPTF bromodomain in complex with BZ2
Descriptor: 6-[4-(2-aminoethyl)anilino]-5-chloro-3-methylpyrimidin-4(3H)-one, Nucleosome-remodeling factor subunit BPTF
Authors:Nithianantham, S, Fischer, M.
Deposit date:2022-11-16
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of BPTF bromodomain in complex with BZ2
To Be Published
2MMM
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BU of 2mmm by Molmil
Solution structure of the mature form, GK cecropin-like peptide from Ae. aegypti mosquito
Descriptor: K cecropin-like peptide
Authors:Padilla, A, Misse, D.
Deposit date:2014-03-16
Release date:2015-01-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Aedesin: structure and antimicrobial activity against multidrug resistant bacterial strains.
Plos One, 9, 2014
3K36
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BU of 3k36 by Molmil
Crystal Structure of B/Perth Neuraminidase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
2M3N
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BU of 2m3n by Molmil
Peptide leucine arginine
Descriptor: Peptide leucine arginine
Authors:Polte, T.
Deposit date:2013-01-23
Release date:2013-09-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Therapeutic potential of the Peptide leucine arginine as a new nonplant bowman-birk-like serine protease inhibitor.
J.Med.Chem., 56, 2013
3KKI
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BU of 3kki by Molmil
PLP-Dependent Acyl-CoA transferase CqsA
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CAI-1 autoinducer synthase, MAGNESIUM ION, ...
Authors:Kelly, R.C, Jeffrey, P.D, Hughson, F.M.
Deposit date:2009-11-05
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Vibrio cholerae quorum-sensing autoinducer CAI-1: analysis of the biosynthetic enzyme CqsA.
Nat.Chem.Biol., 5, 2009
4YBN
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BU of 4ybn by Molmil
Structure of the FAD and Heme binding protein msmeg_4975 from Mycobacterium smegmatis
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-nucleotide-binding protein, ...
Authors:Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:2015-02-18
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
3KGU
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BU of 3kgu by Molmil
Wild type human transthyretin (TTR) complexed with genistein (TTRwt:GEN) pH 7.5
Descriptor: GENISTEIN, Transthyretin
Authors:Trivella, D.B, Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
4YEM
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BU of 4yem by Molmil
Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement
Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
Authors:Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A.
Deposit date:2015-02-24
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
3K39
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BU of 3k39 by Molmil
Crystal Structure of B/Perth Neuraminidase D197E mutant in complex with Peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Oakley, A.J, McKimm-Breschkin, J.L.
Deposit date:2009-10-02
Release date:2010-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural and Functional Basis of Resistance to Neuraminidase Inhibitors of Influenza B Viruses.
J.Med.Chem., 2010
3J3P
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BU of 3j3p by Molmil
Conformational Shift of a Major Poliovirus Antigen Confirmed by Immuno-Cryogenic Electron Microscopy: 135S Poliovirus and C3-Fab Complex
Descriptor: C3 antibody, heavy chain, light chain, ...
Authors:Lin, J, Cheng, N, Hogle, J.M, Steven, A.C, Belnap, D.M.
Deposit date:2013-04-10
Release date:2013-07-03
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Conformational shift of a major poliovirus antigen confirmed by immuno-cryogenic electron microscopy.
J.Immunol., 191, 2013

223790

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