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8Q8E
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BU of 8q8e by Molmil
Tau - AD-LIA4 (tau intermediate amyloid)
Descriptor: Isoform Tau-D of Microtubule-associated protein tau
Authors:Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
Deposit date:2023-08-18
Release date:2023-09-20
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
8Q8X
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BU of 8q8x by Molmil
Tau - CTE-MIA5 (tau intermediate amyloid)
Descriptor: Isoform Tau-D of Microtubule-associated protein tau
Authors:Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
Deposit date:2023-08-19
Release date:2023-09-20
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
8Q9B
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BU of 8q9b by Molmil
Tau - CTE-MIA13 (tau intermediate amyloid)
Descriptor: Isoform Tau-D of Microtubule-associated protein tau
Authors:Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
Deposit date:2023-08-20
Release date:2023-09-20
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
8Q8V
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BU of 8q8v by Molmil
Tau - CTE-MIA3
Descriptor: Isoform Tau-D of Microtubule-associated protein tau
Authors:Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
Deposit date:2023-08-18
Release date:2023-09-20
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
1HCQ
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BU of 1hcq by Molmil
THE CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR DNA-BINDING DOMAIN BOUND TO DNA: HOW RECEPTORS DISCRIMINATE BETWEEN THEIR RESPONSE ELEMENTS
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP*CP*CP*T P*G)-3'), DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP*CP*CP*T P*G)-3'), PROTEIN (ESTROGEN RECEPTOR), ...
Authors:Schwabe, J.W.R, Chapman, L, Finch, J.T, Rhodes, D.
Deposit date:1995-01-04
Release date:1995-11-23
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the estrogen receptor DNA-binding domain bound to DNA: how receptors discriminate between their response elements.
Cell(Cambridge,Mass.), 75, 1993
8Q9C
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BU of 8q9c by Molmil
Tau - CTE-MIA14 (tau intermediate amyloid)
Descriptor: Isoform Tau-D of Microtubule-associated protein tau
Authors:Lovestam, S, Li, D, Scheres, S.H.W, Goedert, M.
Deposit date:2023-08-20
Release date:2023-09-20
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Disease-specific tau filaments assemble via polymorphic intermediates.
Nature, 625, 2024
8QPH
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BU of 8qph by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
Deposit date:2023-10-02
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
8QQC
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BU of 8qqc by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra single crystal
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
Deposit date:2023-10-04
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
1NX3
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BU of 1nx3 by Molmil
Calpain Domain VI in Complex with the Inhibitor PD150606
Descriptor: 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID, CALCIUM ION, Calcium-dependent protease, ...
Authors:Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L.
Deposit date:2003-02-07
Release date:2003-08-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor.
J.Mol.Biol., 328, 2003
1NXB
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BU of 1nxb by Molmil
STRUCTURE AND FUNCTION OF SNAKE VENOM CURARIMIMETIC NEUROTOXINS
Descriptor: NEUROTOXIN B, SULFATE ION
Authors:Tsernoglou, D, Petsko, G.A.
Deposit date:1980-08-08
Release date:1981-01-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure and function of snake venom curarimimetic neurotoxins.
Mol.Pharmacol., 14, 1978
3OGI
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BU of 3ogi by Molmil
Crystal structure of the Mycobacterium tuberculosis H37Rv EsxOP complex (Rv2346c-Rv2347c)
Descriptor: Putative ESAT-6-like protein 6, Putative ESAT-6-like protein 7
Authors:Arbing, M.A, Chan, S, Zhou, T.T, Ahn, C, Harris, L, Kuo, E, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-08-16
Release date:2010-08-25
Last modified:2014-05-21
Method:X-RAY DIFFRACTION (2.549 Å)
Cite:Heterologous expression of mycobacterial Esx complexes in Escherichia coli for structural studies is facilitated by the use of maltose binding protein fusions.
Plos One, 8, 2013
1GWM
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BU of 1gwm by Molmil
Carbohydrate binding module family29 complexed with glucohexaose
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, NON-CATALYTIC PROTEIN 1, ...
Authors:Charnock, S.J, Nurizzo, D, Davies, G.J.
Deposit date:2002-03-19
Release date:2003-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Promiscuity in Ligand-Binding: The Three-Dimensional Structure of a Piromyces Carbohydrate-Binding Module,Cbm29-2,in Complex with Cello- and Mannohexaose
Proc.Natl.Acad.Sci.USA, 99, 2002
8QCI
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BU of 8qci by Molmil
FCGBP D10 Assembly Segment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Yeshaya, N, Fass, D.
Deposit date:2023-08-27
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:VWD domain stabilization by autocatalytic Asp-Pro cleavage.
Protein Sci., 33, 2024
3DOO
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BU of 3doo by Molmil
Crystal structure of shikimate dehydrogenase from Staphylococcus epidermidis complexed with shikimate
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase
Authors:Han, C, Hu, T, Wu, D, Zhou, J, Shen, X, Qu, D, Jiang, H.
Deposit date:2008-07-05
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic and enzymatic analyses of shikimate dehydrogenase from Staphylococcus epidermidis
Febs J., 276, 2009
1FCX
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BU of 1fcx by Molmil
ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394
Descriptor: 6-[HYDROXY-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1
Authors:Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE)
Deposit date:2000-07-19
Release date:2000-09-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural basis for isotype selectivity of the human retinoic acid nuclear receptor.
J.Mol.Biol., 302, 2000
1FDU
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BU of 1fdu by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH ESTRADIOL AND NADP+
Descriptor: 17-BETA-HYDROXYSTEROID DEHYDROGENASE, ESTRADIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
Deposit date:1998-01-14
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unusual charge stabilization of NADP+ in 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 273, 1998
2GLS
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BU of 2gls by Molmil
REFINED ATOMIC MODEL OF GLUTAMINE SYNTHETASE AT 3.5 ANGSTROMS RESOLUTION
Descriptor: GLUTAMINE SYNTHETASE, MANGANESE (II) ION
Authors:Eisenberg, D, Almassy, R.J, Yamashita, M.M.
Deposit date:1989-05-19
Release date:1989-10-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Refined atomic model of glutamine synthetase at 3.5 A resolution.
J.Biol.Chem., 264, 1989
1AFH
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BU of 1afh by Molmil
LIPID TRANSFER PROTEIN FROM MAIZE SEEDLINGS, NMR, 15 STRUCTURES
Descriptor: MAIZE NONSPECIFIC LIPID TRANSFER PROTEIN
Authors:Gomar, J, Petit, M.C, Sodano, P, Sy, D, Marion, D, Kader, J.C, Vovelle, F, Ptak, M.
Deposit date:1997-03-07
Release date:1997-05-15
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure and lipid binding of a nonspecific lipid transfer protein extracted from maize seeds.
Protein Sci., 5, 1996
3GEQ
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BU of 3geq by Molmil
Structural basis for the chemical rescue of Src kinase activity
Descriptor: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Proto-oncogene tyrosine-protein kinase Src
Authors:Muratore, K.E, Seeliger, M.A, Wang, Z, Fomina, D, Neiswinger, J, Havranek, J.J, Baker, D, Kuriyan, J, Cole, P.A.
Deposit date:2009-02-25
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparative analysis of mutant tyrosine kinase chemical rescue.
Biochemistry, 48, 2009
6I47
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BU of 6i47 by Molmil
Structure of P. aeruginosa LpxC with compound 10: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-1-oxoisoindolin-2-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
Descriptor: (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
6I49
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BU of 6i49 by Molmil
Structure of P. aeruginosa LpxC with compound 17a: (2R)-N-Hydroxy-2-methyl-2-(methylsulfonyl)-4(6((4(morpholinomethyl)phenyl)ethynyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-2(3H)yl)butanamide
Descriptor: (2~{R})-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]-3-oxidanylidene-1~{H}-pyrrolo[1,2-c]imidazol-2-yl]-~{N}-oxidanyl-butanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G.
Deposit date:2018-11-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
1LNE
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BU of 1lne by Molmil
A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN
Descriptor: CADMIUM ION, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W.
Deposit date:1994-05-13
Release date:1995-05-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
1GSG
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BU of 1gsg by Molmil
Structure of E.coli glutaminyl-tRNA synthetase complexed with trnagln and ATP at 2.8 Angstroms resolution
Descriptor: GLUTAMINYL-TRNA SYNTHETASE, TRNAGLN
Authors:Rould, M.A, Perona, J.J, Soell, D, Steitz, T.A.
Deposit date:1990-04-03
Release date:1992-02-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of E. coli glutaminyl-tRNA synthetase complexed with tRNA(Gln) and ATP at 2.8 A resolution.
Science, 246, 1989
3DO7
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BU of 3do7 by Molmil
X-ray structure of a NF-kB p52/RelB/DNA complex
Descriptor: 5'-D(*DCP*DGP*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DCP*DC)-3', Avian reticuloendotheliosis viral (V-rel) oncogene related B, Nuclear factor NF-kappa-B p100 subunit
Authors:Fusco, A, Huang, D.B, Miller, D, Vu, D, Ghosh, G.
Deposit date:2008-07-03
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:NF-kapppaB p52:RelB heterodimer uses different binding modes to recognize different kappaB DNA
TO BE PUBLISHED
7A1B
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BU of 7a1b by Molmil
Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine
Descriptor: 1,2-ETHANEDIOL, 5,6-dibromo-1H-triazolo[4,5-b]pyridine, CHLORIDE ION, ...
Authors:Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P.
Deposit date:2020-08-12
Release date:2020-12-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.287 Å)
Cite:Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021

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