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5KPE
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BU of 5kpe by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664
Descriptor: De novo Beta Sheet Design Protein OR664
Authors:Tang, Y, Liu, G, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2016-07-03
Release date:2016-09-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
6QUH
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BU of 6quh by Molmil
GHK tagged GFP variant crystal form II at 1.34A wavelength
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, COPPER (II) ION, ...
Authors:Huyton, T, Gorlich, D.
Deposit date:2019-02-27
Release date:2020-05-27
Last modified:2022-12-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 76, 2020
4V2S
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BU of 4v2s by Molmil
Crystal structure of Hfq in complex with the sRNA RydC
Descriptor: RNA-BINDING PROTEIN HFQ, RYDC
Authors:Dimastrogiovanni, D, Frohlich, K.S, Bruce, H.A, Bandyra, K.J, Hohensee, S, Vogel, J, Luisi, B.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Recognition of the small regulatory RNA RydC by the bacterial Hfq protein.
Elife, 3, 2014
6QXQ
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BU of 6qxq by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 7 with Mn2+ and CoA.
Descriptor: COENZYME A, MANGANESE (II) ION, Possible 4'-phosphopantetheinyl transferase
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-07
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
5KVN
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BU of 5kvn by Molmil
NMR Solution Structure of Designed Peptide NC_HEE_D1
Descriptor: Designed peptide NC_HEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-14
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6QVF
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BU of 6qvf by Molmil
TT_C0855 competence pilin from Thermus thermophilus HB27
Descriptor: Prepilin-like protein
Authors:Derrick, J.P, Salleh, M.Z, Levy, C.
Deposit date:2019-03-01
Release date:2019-05-29
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structure and Properties of a Natural Competence-Associated Pilin Suggest a Unique Pilus Tip-Associated DNA Receptor.
Mbio, 10, 2019
6QWX
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BU of 6qwx by Molmil
HEWL lysozyme, crystallized from NiCl2 solution
Descriptor: CHLORIDE ION, Lysozyme C, NICKEL (II) ION
Authors:Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V.
Deposit date:2019-03-06
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:HEWL lysozyme, crystallized from different chlorides
To Be Published
4UUJ
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BU of 4uuj by Molmil
POTASSIUM CHANNEL KCSA-FAB WITH TETRAHEXYLAMMONIUM
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ...
Authors:Lenaeus, M.J, Burdette, D, Wagner, T, Focia, P.J, Gross, A.
Deposit date:2014-07-29
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site.
Biochemistry, 53, 2014
4UW3
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BU of 4uw3 by Molmil
Human galectin-7 in complex with a galactose based dendron D1.
Descriptor: DENDRON-D1, HUMAN GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
4V1B
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BU of 4v1b by Molmil
Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 collected at the Zn edge
Descriptor: CARBOHYDRATE BINDING MODULE
Authors:Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2014-09-25
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
6QYI
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BU of 6qyi by Molmil
Structure of HPAB from E.coli in complex with FAD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, DI(HYDROXYETHYL)ETHER, ...
Authors:Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M.
Deposit date:2019-03-09
Release date:2019-06-12
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
6QSM
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BU of 6qsm by Molmil
mTFP* open conformation: I197C-Y200H-Y204H mutant for enhanced metal binding
Descriptor: GFP-like fluorescent chromoprotein cFP484
Authors:Fischer, J, Renn, D, Arold, T.A, Groll, M.
Deposit date:2019-02-21
Release date:2020-01-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Robust and Versatile Host Protein for the Design and Evaluation of Artificial Metal Centers
Acs Catalysis, 2019
6QSP
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BU of 6qsp by Molmil
Ketosynthase (ApeO) in Complex with its Chain Length Factor (ApeC) from Xenorhabdus doucetiae
Descriptor: Beta-ketoacyl synthase, GLYCEROL, PHOSPHATE ION, ...
Authors:Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H.
Deposit date:2019-02-21
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments.
J.Am.Chem.Soc., 141, 2019
5LF9
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BU of 5lf9 by Molmil
Crystal structure of human NUDT22
Descriptor: Nucleoside diphosphate-linked moiety X motif 22
Authors:Tallant, C, Siejka, P, Mathea, S, Shrestha, L, Krojer, T, Srikannathasan, V, Elkins, J.M, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2016-06-30
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of human NUDT22
To Be Published
4UUS
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BU of 4uus by Molmil
CRYSTAL STRUCTURE OF A UBX-EXD-DNA COMPLEX INCLUDING THE UBDA MOTIF
Descriptor: 5'-D(*AP*CP*GP*TP*GP*AP*TP*TP*TP*AP*TP*GP*GP*CP*G)-3', 5'-D(*GP*TP*CP*GP*CP*CP*AP*TP*AP*AP*AP*TP*CP*AP*C)-3', HOMEOTIC PROTEIN EXTRADENTICLE, ...
Authors:Foos, N, Mate, M.J, Ortiz-Lombardia, M.
Deposit date:2014-07-31
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Flexible Extension of the Drosophila Ultrabithorax Homeodomain Defines a Novel Hox/Pbc Interaction Mode.
Structure, 23, 2015
6QLL
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BU of 6qll by Molmil
Crystal structure of F181H UbiX in complex with FMN and dimethylallyl monophosphate
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QTN
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BU of 6qtn by Molmil
Tubulin-cyclostreptin complex
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Balaguer, F.d.A, Muehlethaler, T, Estevez-Gallego, J, Calvo, E, Gimenez-Abian, J.F, Risinger, A.L, Sorensen, E.J, Vanderwal, C.D, Altmann, K.-H, Mooberry, S.L, Steinmetz, M.O, Oliva, M.A, Prota, A.E, Diaz, J.F.
Deposit date:2019-02-25
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Cyclostreptin-Tubulin Adduct: Implications for Tubulin Activation by Taxane-Site Ligands.
Int J Mol Sci, 20, 2019
6QLP
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BU of 6qlp by Molmil
Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 3
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3, ...
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2019-02-01
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.081 Å)
Cite:Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
6QLU
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BU of 6qlu by Molmil
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-8
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluoranyl-3-methyl-phenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2019-02-01
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
4UNZ
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BU of 4unz by Molmil
Structure of the A_Equine_Newmarket_2_93 H3 haemagglutinin in complex with 6SO4-Sialyl Lewis X
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:Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J.
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recent Evolution of Equine Influenza and the Origin of Canine Influenza.
Proc.Natl.Acad.Sci.USA, 111, 2014
6QUD
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BU of 6qud by Molmil
2-deoxy-galactose reaction intermediate of a Truncated beta-galactosidase III from Bifidobacterium bifidum
Descriptor: 2-deoxy-alpha-D-galactopyranose, Beta-galactosidase, CALCIUM ION
Authors:Thirup, S.S, Nielsen, J.A, Andersen, J.L, Alsarraf, H, Blaise, M.
Deposit date:2019-02-27
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Truncated beta-galactosidase III from Bifidobacterium bifidum
To Be Published
6QM5
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BU of 6qm5 by Molmil
Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in DDM
Descriptor: CALCIUM ION, Predicted protein
Authors:Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C.
Deposit date:2019-02-01
Release date:2019-03-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM.
Elife, 8, 2019
6QUK
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BU of 6quk by Molmil
Protein crystallization by ionic liquid hydrogel support: glucose isomerase grown by using ionic liquid hydrogel
Descriptor: GLYCEROL, MANGANESE (II) ION, SULFATE ION, ...
Authors:Belviso, B.D, Caliandro, R, Caliandro, R.
Deposit date:2019-02-27
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Protein Crystallization in Ionic-Liquid Hydrogel Composite Membranes
Crystals, 9, 2019
6QUW
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BU of 6quw by Molmil
Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b
Descriptor: (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole, GTPase KRas, MAGNESIUM ION, ...
Authors:Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
Deposit date:2019-02-28
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.242 Å)
Cite:KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
4V40
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BU of 4v40 by Molmil
BETA-GALACTOSIDASE
Descriptor: BETA-GALACTOSIDASE, MAGNESIUM ION
Authors:Jacobson, R.H, Zhang, X, Dubose, R.F, Matthews, B.W.
Deposit date:1994-07-18
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of beta-galactosidase from E. coli.
Nature, 369, 1994

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