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2E9B
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BU of 2e9b by Molmil
Crystal structure of pullulanase type I from Bacillus subtilis str. 168 complexed with maltose
Descriptor: ACETATE ION, AmyX protein, CALCIUM ION, ...
Authors:Mikami, B, Malle, D, Utsumi, S, Iwamoto, H, Katsuya, Y.
Deposit date:2007-01-24
Release date:2008-02-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of pullulanase type I from Bacillus subtilis str. 168 in complex with maltose and alpha-cyclodextrin
To be Published
2X0R
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BU of 2x0r by Molmil
R207S, R292S Mutant of Malate Dehydrogenase from the Halophilic Archeon Haloarcula marismortui (HoloForm)
Descriptor: CHLORIDE ION, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Irimia, A, Ebel, C, Vellieux, F.M.D, Richard, S.B, Cosenza, L.W, Zaccai, G, Madern, D.
Deposit date:2009-12-17
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.915 Å)
Cite:The Oligomeric States of Haloarcula Marismortui Malate Dehydrogenase are Modulated by Solvent Components as Shown by Crystallographic and Biochemical Studies
J.Mol.Biol., 326, 2003
2E8Z
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BU of 2e8z by Molmil
Crystal structure of pullulanase type I from Bacillus subtilis str. 168 complexed with alpha-cyclodextrin
Descriptor: ACETATE ION, AmyX protein, CALCIUM ION, ...
Authors:Mikami, B, Malle, D, Utsumi, S, Iwamoto, H, Katsuya, Y.
Deposit date:2007-01-24
Release date:2008-02-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of pullulanase type I from Bacillus subtilis str. 168 in complex with maltose and alpha-cyclodextrin
To be Published
6E4L
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BU of 6e4l by Molmil
The structure of the N-terminal domain of human clathrin heavy chain 1 (nTD) in complex with ES9
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide, ACETATE ION, ...
Authors:Dejonghe, W, Sharma, I, Denoo, B, Munck, S.D, Bulut, H, Mylle, E, Vasileva, M, Lu, Q, Savatin, D.V, Mishev, K, Nerinckx, W, Staes, A, Drozdzecki, A, Audenaert, D, Madder, A, Friml, J, Damme, D.V, Gevaert, K, Haucke, V, Savvides, S, Winne, J, Russinova, E.
Deposit date:2018-07-17
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Disruption of endocytosis through chemical inhibition of clathrin heavy chain function.
Nat.Chem.Biol., 15, 2019
4QI7
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BU of 4qi7 by Molmil
Cellobiose dehydrogenase from Neurospora crassa, NcCDH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
Deposit date:2014-05-30
Release date:2015-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
7QBR
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BU of 7qbr by Molmil
Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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:Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
Deposit date:2021-11-19
Release date:2022-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
7QBQ
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BU of 7qbq by Molmil
Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide
Descriptor: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 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:Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X.
Deposit date:2021-11-19
Release date:2022-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
3WWA
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BU of 3wwa by Molmil
Crystal structure of the computationally designed Pizza7 protein after heat treatment
Descriptor: ISOPROPYL ALCOHOL, Pizza7H protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
7LXW
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BU of 7lxw by Molmil
SARS-CoV-2 S/S2M11/S2X333 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2X333 Fab Heavy Chain variable region, S2X333 Fab Light Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LY0
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BU of 7ly0 by Molmil
SARS-CoV-2 S/S2M11/S2M28 Local Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2M28 Fab Heavy Chain variable region, S2M28 Fab Light Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LXZ
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BU of 7lxz by Molmil
SARS-CoV-2 S/S2M11/S2L28 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LY2
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BU of 7ly2 by Molmil
SARS-CoV-2 S/S2M11/S2M28 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2M11 Fab Heavy Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LXX
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BU of 7lxx by Molmil
SARS-CoV-2 S/S2M11/S2L28 Local Refinement
Descriptor: 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, S2L28 Fab Heavy Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LXY
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BU of 7lxy by Molmil
SARS-CoV-2 S/S2M11/S2X333 Global Refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2M11 Fab Heavy Chain variable region, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
7LY3
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BU of 7ly3 by Molmil
Crystal structure of SARS-CoV-2 S NTD bound to S2M28 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2M28 Fab Heavy Chain, S2M28 Fab Light Chain, ...
Authors:McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-05
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:N-terminal domain antigenic mapping reveals a site of vulnerability for SARS-CoV-2.
Cell, 184, 2021
6EHO
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BU of 6eho by Molmil
Dimer of the Sortilin Vps10p domain at low pH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A.
Deposit date:2017-09-14
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin.
Structure, 25, 2017
3WS3
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BU of 3ws3 by Molmil
Crystal Structure of H-2D in complex with an insulin derived peptide
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Kumar, P.R, Mukherjee, G, Samanta, D, DiLorenzo, T.P, Almo, S.C, Immune Function Network, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-02-28
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.335 Å)
Cite:Compensatory mechanisms allow undersized anchor-deficient class I MHC ligands to mediate pathogenic autoreactive T cell responses
J. Immunol., 193, 2014
4QI4
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BU of 4qi4 by Molmil
Dehydrogenase domain of Myriococcum thermophilum cellobiose dehydrogenase, MtDH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
Authors:Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C.
Deposit date:2014-05-30
Release date:2015-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation.
Nat Commun, 6, 2015
3WW9
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BU of 3ww9 by Molmil
Crystal structure of the computationally designed Pizza6 protein
Descriptor: GLYCEROL, SULFATE ION, pizza6 protein
Authors:Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H.
Deposit date:2014-06-17
Release date:2014-10-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MOV
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BU of 2mov by Molmil
Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal Derived AGEs.
Descriptor: Advanced glycosylation end product-specific receptor, N~5~-[(5R)-5-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl]-L-ornithine
Authors:Shekhtman, A, Xue, J, Ray, R, Singer, D, Bohme, D, Burz, D.S, Rai, V, Hoffman, R.
Deposit date:2014-05-05
Release date:2014-06-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Receptor for Advanced Glycation End Products (RAGE) Specifically Recognizes Methylglyoxal-Derived AGEs.
Biochemistry, 53, 2014
6EIE
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BU of 6eie by Molmil
Ras guanine nucleotide exchange factor SOS2 (Rem-cdc25), with surface mutations
Descriptor: Son of sevenless homolog 2
Authors:Hillig, R.C, Moosmayer, D, Mastouri, J.
Deposit date:2017-09-19
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
2WBS
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BU of 2wbs by Molmil
Crystal structure of the zinc finger domain of Klf4 bound to its target DNA
Descriptor: 5'-D(*GP*AP*GP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP*CP*TP*CP)-3', GLYCEROL, ...
Authors:Zocher, G, Schuetz, A, Carstanjen, D, Heinemann, U.
Deposit date:2009-03-03
Release date:2010-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation.
Cell.Mol.Life Sci., 68, 2011
2MWH
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BU of 2mwh by Molmil
NMR solution structure of ligand-free OAA
Descriptor: Anti-HIV lectin OAA
Authors:Lee, D, Carneiro, M.G, Koharudin, L.M, Griesinger, C, Gronenborn, A.M, Ban, D, Sabo, T, Trigo-Mourino, P, Mazur, A.
Deposit date:2014-11-10
Release date:2015-04-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sampling of Glycan-Bound Conformers by the Anti-HIV Lectin Oscillatoria agardhii agglutinin in the Absence of Sugar.
Angew.Chem.Int.Ed.Engl., 54, 2015
4QDN
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BU of 4qdn by Molmil
Crystal Structure of the endo-beta-N-acetylglucosaminidase from Thermotoga maritima
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Flagellar protein FlgJ [peptidoglycan hydrolase], PHOSPHATE ION
Authors:Lipski, A, Nurizzo, D, Bourne, Y, Vincent, F.
Deposit date:2014-05-14
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and biochemical characterization of the beta-N-acetylglucosaminidase from Thermotoga maritima: Toward rationalization of mechanistic knowledge in the GH73 family.
Glycobiology, 25, 2015
6EI9
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BU of 6ei9 by Molmil
Crystal structure of E. coli tRNA-dihydrouridine synthase B (DusB)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Bou-Nader, C, Hamdane, D.
Deposit date:2017-09-18
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Unveiling structural and functional divergences of bacterial tRNA dihydrouridine synthases: perspectives on the evolution scenario.
Nucleic Acids Res., 46, 2018

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