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4V7F
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BU of 4v7f by Molmil
Arx1 pre-60S particle.
Descriptor: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Leidig, C, Thoms, M, Holdermann, I, Bradatsch, B, Berninghausen, O, Bange, G, Sinning, I, Hurt, E, Beckmann, R.
Deposit date:2013-12-10
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:60S ribosome biogenesis requires rotation of the 5S ribonucleoprotein particle.
Nat Commun, 5, 2014
1CGU
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BU of 1cgu by Molmil
CATALYTIC CENTER OF CYCLODEXTRIN GLYCOSYLTRANSFERASE DERIVED FROM X-RAY STRUCTURE ANALYSIS COMBINED WITH SITE-DIRECTED MUTAGENESIS
Descriptor: CALCIUM ION, CYCLODEXTRIN GLYCOSYL-TRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Klein, C, Hollender, J, Bender, H, Schulz, G.E.
Deposit date:1992-06-10
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic center of cyclodextrin glycosyltransferase derived from X-ray structure analysis combined with site-directed mutagenesis.
Biochemistry, 31, 1992
5M5E
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BU of 5m5e by Molmil
Crystal structure of a interleukin-2 variant in complex with interleukin-2 receptor
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:Klein, C, Freimoser-Grundschober, A, Waldhauer, I, Stihle, M, Birk, M, Benz, J.
Deposit date:2016-10-21
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cergutuzumab amunaleukin (CEA-IL2v), a CEA-targeted IL-2 variant-based immunocytokine for combination cancer immunotherapy: Overcoming limitations of aldesleukin and conventional IL-2-based immunocytokines.
Oncoimmunology, 6, 2017
1CGT
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BU of 1cgt by Molmil
STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE REFINED AT 2.0 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CYCLODEXTRIN GLYCOSYL-TRANSFERASE
Authors:Klein, C, Schulz, G.E.
Deposit date:1992-06-10
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of cyclodextrin glycosyltransferase refined at 2.0 A resolution.
J.Mol.Biol., 217, 1991
1GAR
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BU of 1gar by Molmil
TOWARDS STRUCTURE-BASED DRUG DESIGN: CRYSTAL STRUCTURE OF A MULTISUBSTRATE ADDUCT COMPLEX OF GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE AT 1.96 ANGSTROMS RESOLUTION
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, N-[4-[[3-(2,4-DIAMINO-1,6-DIHYDRO-6-OXO-4-PYRIMIDINYL)-PROPYL]-[2-((2-OXO-2-((4-PHOSPHORIBOXY)-BUTYL)-AMINO)-ETHYL)-THIO-ACETYL]-AMINO]BENZOYL]-1-GLUTAMIC ACID
Authors:Wilson, I.A, Klein, C, Chen, P, Arevalo, J.H.
Deposit date:1994-12-08
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Towards structure-based drug design: crystal structure of a multisubstrate adduct complex of glycinamide ribonucleotide transformylase at 1.96 A resolution.
J.Mol.Biol., 249, 1995
8BFB
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BU of 8bfb by Molmil
Sarkosyl-extracted AppNL-G-F Abeta42 fibril structure (Methoxy-X04-labelled mice)
Descriptor: Amyloid-beta precursor protein
Authors:Wilkinson, M, Leistner, C, Burgess, A, Goodfellow, S, Deuchars, S, Ranson, N.A, Radford, S.E, Frank, R.A.W.
Deposit date:2022-10-24
Release date:2023-05-31
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The in-tissue molecular architecture of beta-amyloid pathology in the mammalian brain.
Nat Commun, 14, 2023
8BFA
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BU of 8bfa by Molmil
Sarkosyl-extracted AppNL-G-F Abeta42 fibril structure
Descriptor: Amyloid-beta precursor protein
Authors:Wilkinson, M, Leistner, C, Burgess, A, Goodfellow, S, Deuchars, S, Ranson, N.A, Radford, S.E, Frank, R.A.W.
Deposit date:2022-10-24
Release date:2023-05-31
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The in-tissue molecular architecture of beta-amyloid pathology in the mammalian brain.
Nat Commun, 14, 2023
3TJT
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BU of 3tjt by Molmil
Crystal Structure Analysis of the superoxide dismutase from Clostridium difficile
Descriptor: FE (III) ION, Superoxide dismutase
Authors:Li, W, Lei, C, Ying, T.L, Wang, H.F, Tan, X.S.
Deposit date:2011-08-25
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal Structure of the superoxide dismutase from Clostridium difficile
To be Published
4MC2
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BU of 4mc2 by Molmil
HIV protease in complex with SA525P
Descriptor: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
Authors:Ganguly, A.K, Alluri, S.S, Wang, C, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4MC6
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BU of 4mc6 by Molmil
HIV protease in complex with SA499
Descriptor: 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ...
Authors:Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
Deposit date:2013-08-21
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
2Y4L
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BU of 2y4l by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH Manganese and GDP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, MALONATE ION, ...
Authors:Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J.
Deposit date:2011-01-07
Release date:2011-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
4V0G
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BU of 4v0g by Molmil
JAK3 in complex with a covalent EGFR inhibitor
Descriptor: N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3
Authors:Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X.
Deposit date:2014-09-16
Release date:2016-01-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation
To be Published
4XYC
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BU of 4xyc by Molmil
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
Descriptor: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1
Authors:Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E.
Deposit date:2015-02-02
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
2Y4M
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BU of 2y4m by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH GDP-Mannose
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), ...
Authors:Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J.
Deposit date:2011-01-07
Release date:2011-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2Y4K
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BU of 2y4k by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH MG-GDP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J.
Deposit date:2011-01-07
Release date:2011-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
2Y4J
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BU of 2y4j by Molmil
MANNOSYLGLYCERATE SYNTHASE IN COMPLEX WITH LACTATE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LACTIC ACID, MANNOSYLGLYCERATE SYNTHASE, ...
Authors:Nielsen, M.M, Suits, M.D.L, Yang, M, Barry, C.S, Martinez-Fleites, C, Tailford, L.E, Flint, J.E, Davis, B.G, Davies, G.J, Gilbert, H.J.
Deposit date:2011-01-07
Release date:2011-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase.
J.Biol.Chem., 286, 2011
1TT0
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BU of 1tt0 by Molmil
Crystal Structure of Pyranose 2-Oxidase
Descriptor: ACETATE ION, DODECAETHYLENE GLYCOL, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Hallberg, B.M, Leitner, C, Haltrich, D, Divne, C.
Deposit date:2004-06-21
Release date:2005-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the 270 kDa homotetrameric lignin-degrading enzyme pyranose 2-oxidase
J.Mol.Biol., 341, 2004
4ZJ0
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BU of 4zj0 by Molmil
The crystal structure of monomer Q108K:K40L:Y60W CRBPII bound to all-trans-retinal
Descriptor: ACETATE ION, RETINAL, Retinol-binding protein 2
Authors:Nossoni, Z, Assar, Z, Wang, W, Vasileiou, C, Borhan, B, Geiger, J.H.
Deposit date:2015-04-28
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
2VN6
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BU of 2vn6 by Molmil
The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner
Descriptor: CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN
Authors:Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P.
Deposit date:2008-01-31
Release date:2008-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner.
J.Biol.Chem., 283, 2008
2VN5
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BU of 2vn5 by Molmil
The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner
Descriptor: CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN
Authors:Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P.
Deposit date:2008-01-31
Release date:2008-05-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner.
J.Biol.Chem., 283, 2008
4LI5
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BU of 4li5 by Molmil
EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide
Descriptor: Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION
Authors:Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M.
Deposit date:2013-07-02
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR).
J.Med.Chem., 56, 2013
1W18
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BU of 1w18 by Molmil
Crystal Structure of levansucrase from Gluconacetobacter diazotrophicus
Descriptor: LEVANSUCRASE, SULFATE ION
Authors:Martinez-Fleites, C, Ortiz-Lombardia, M, Pons, T, Tarbouriech, N, Taylor, E.J, Hernandez, L, Davies, G.J.
Deposit date:2004-06-16
Release date:2005-05-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Levansucrase from the Gram- Negative Bacterium Gluconacetobacter Diazotrophicus.
Biochem.J., 390, 2005
2BO6
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BU of 2bo6 by Molmil
DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
Descriptor: (2R)-2,3-DIHYDROXYPROPANOIC ACID, MANGANESE (II) ION, MANNOSYLGLYCERATE SYNTHASE
Authors:Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
Deposit date:2005-04-08
Release date:2005-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Dissection and High-Throughput Screening of Mannosylglyceerate Synthase
Nat.Struct.Mol.Biol., 12, 2005
2BO7
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BU of 2bo7 by Molmil
DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
Descriptor: COBALT (II) ION, GUANOSINE-5'-DIPHOSPHATE, MANNOSYLGLYCERATE SYNTHASE
Authors:Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
Deposit date:2005-04-08
Release date:2005-06-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural dissection and high-throughput screening of mannosylglycerate synthase.
Nat. Struct. Mol. Biol., 12, 2005
2BO8
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BU of 2bo8 by Molmil
DISSECTION OF MANNOSYLGLYCERATE SYNTHASE: AN ARCHETYPAL MANNOSYLTRANSFERASE
Descriptor: CHLORIDE ION, GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER, ...
Authors:Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J.
Deposit date:2005-04-08
Release date:2005-06-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural dissection and high-throughput screening of mannosylglycerate synthase.
Nat. Struct. Mol. Biol., 12, 2005

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