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PDB: 22297 results

6YM4
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BU of 6ym4 by Molmil
Crystal structure of BAY-297 with PIP4K2A
Descriptor: (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Authors:Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C.
Deposit date:2020-04-07
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
6V9X
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BU of 6v9x by Molmil
Structure of TRPA1 modified by iodoacetamide, PMAL-C8
Descriptor: Transient receptor potential cation channel subfamily A member 1
Authors:Zhao, J, Lin King, J.V, Paulsen, C.E, Cheng, Y, Julius, D.
Deposit date:2019-12-16
Release date:2020-05-06
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Irritant-evoked activation and calcium modulation of the TRPA1 receptor.
Nature, 585, 2020
6VB0
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BU of 6vb0 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HLA-B*15:02 complexed with a synthetic peptide
To Be Published
5A4P
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BU of 5a4p by Molmil
Structure of UBE2Z provides functional insight into specificity in the FAT10 conjugation machinery
Descriptor: DI(HYDROXYETHYL)ETHER, MALONATE ION, UBIQUITIN-CONJUGATING ENZYME E2 Z
Authors:Schelpe, J, Monte, D, Dewitte, F, Sixma, T.K, Rucktooa, P.
Deposit date:2015-06-11
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Ube2Z Provides Functional Insight Into Specificity in the Fat10 Conjugation Machinery
J.Biol.Chem., 291, 2016
6VB3
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HLA-B*15:01 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:HLA-B*15:01 complexed with a synthetic peptide
To Be Published
5AIG
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BU of 5aig by Molmil
Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. Tomsk-sample- Valpromide complex
Descriptor: 2-PROPYLPENTANAMIDE, DIMETHYL SULFOXIDE, LIMONENE-1,2-EPOXIDE HYDROLASE
Authors:Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D.
Deposit date:2015-02-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
FEBS J., 282, 2015
6YPI
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BU of 6ypi by Molmil
Structure of the engineered metallo-Diels-Alderase DA7 W16G,K58Q,L77R,T78R
Descriptor: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BENZOIC ACID, DA7 W16G,K58Q,L77R,T78R, ...
Authors:Basler, S, Mori, T, Hilvert, D.
Deposit date:2020-04-16
Release date:2021-04-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold.
Nat.Chem., 13, 2021
5A2S
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BU of 5a2s by Molmil
Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors
Descriptor: (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ...
Authors:Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C.
Deposit date:2015-05-22
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5AJA
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BU of 5aja by Molmil
Crystal structure of mandrill SAMHD1 (amino acid residues 1-114) bound to Vpx isolated from mandrill and human DCAF1 (amino acid residues 1058-1396)
Descriptor: PROTEIN VPRBP, SAM DOMAIN AND HD DOMAIN-CONTAINING PROTEIN, VPX PROTEIN, ...
Authors:Schwefel, D, Boucherit, V.C, Christodoulou, E, Walker, P.A, Stoye, J.P, Bishop, K.N, Taylor, I.A.
Deposit date:2015-02-20
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Molecular Determinants for Recognition of Divergent Samhd1 Proteins by the Lentiviral Accessory Protein Vpx.
Cell Host Microbe., 17, 2015
6VAQ
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BU of 6vaq by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase V394L mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
2X8S
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BU of 2x8s by Molmil
Crystal Structure of the Abn2 D171A mutant in complex with arabinotriose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:deSanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I.
Deposit date:2010-03-11
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
FEBS J., 277, 2010
5A3A
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BU of 5a3a by Molmil
Crystal structure of the ADP-ribosylating sirtuin (SirTM) from Streptococcus pyogenes (Apo form)
Descriptor: 1,2-ETHANEDIOL, GLYCINE, SIR2 FAMILY PROTEIN, ...
Authors:Rack, J.G.M, Morra, R, Barkauskaite, E, Kraehenbuehl, R, Ariza, A, Qu, Y, Ortmayer, M, Leidecker, O, Cameron, D.R, Matic, I, Peleg, A.Y, Leys, D, Traven, A, Ahel, I.
Deposit date:2015-05-28
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Identification of a Class of Protein Adp-Ribosylating Sirtuins in Microbial Pathogens.
Mol.Cell, 59, 2015
4N9W
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BU of 4n9w by Molmil
Crystal structure of phosphatidyl mannosyltransferase PimA
Descriptor: 1,2-ETHANEDIOL, GDP-mannose-dependent alpha-(1-2)-phosphatidylinositol mannosyltransferase, GUANOSINE-5'-DIPHOSPHATE
Authors:Giganti, D, Albesa-Jove, D, Bellinzoni, M, Guerin, M.E, Alzari, P.M.
Deposit date:2013-10-21
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Secondary structure reshuffling modulates glycosyltransferase function at the membrane.
Nat.Chem.Biol., 11, 2015
6VB2
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BU of 6vb2 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:HLA-B*15:02 complexed with a synthetic peptide
To Be Published
6VB5
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BU of 6vb5 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:HLA-B*15:02 complexed with a synthetic peptide
To Be Published
5AFB
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BU of 5afb by Molmil
Crystal structure of the Latrophilin3 Lectin and Olfactomedin Domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Jackson, V.A, del Toro, D, Carrasquero, M, Roversi, P, Harlos, K, Klein, R, Seiradake, E.
Deposit date:2015-01-21
Release date:2015-03-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural Basis of Latrophilin-Flrt Interaction.
Structure, 23, 2015
5AII
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BU of 5aii by Molmil
Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-PEG complex
Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ...
Authors:Ferrandi, E, Sayer, C, Isupov, M.N, Annovazzi, C, Marchesi, C, Iacobone, G, Peng, X, Bonch-Osmolovskaya, E, Wohlgemuth, R, Littlechild, J.A, Montia, D.
Deposit date:2015-02-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery and Characterization of Thermophilic Limonene-1,2-Epoxide Hydrolases from Hot Spring Metagenomic Libraries
FEBS J., 282, 2015
6VHL
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BU of 6vhl by Molmil
Paired Helical Filament from Alzheimer's Disease Human Brain Tissue
Descriptor: GLYCINE, Microtubule-associated protein tau
Authors:Arakhamia, T, Lee, C.E, Carlomagno, Y, Duong, D.M, Kundinger, S.R, Wang, K, Williams, D, DeTure, M, Dickson, D.W, Cook, C.N, Seyfried, N.T, Petrucelli, L, Fitzpatrick, A.W.P.
Deposit date:2020-01-10
Release date:2020-03-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Posttranslational Modifications Mediate the Structural Diversity of Tauopathy Strains.
Cell, 180, 2020
1PJN
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BU of 1pjn by Molmil
Mouse Importin alpha-bipartite NLS N1N2 from Xenopus laevis phosphoprotein Complex
Descriptor: Histone-binding protein N1/N2, Importin alpha-2 subunit
Authors:Fontes, M.R.M, Teh, T, Jans, D, Brinkworth, R.I, Kobe, B.
Deposit date:2003-06-03
Release date:2003-08-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the specificity of bipartite nuclear localization sequence binding by importin-alpha
J.Biol.Chem., 278, 2003
1PJM
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BU of 1pjm by Molmil
Mouse Importin alpha-bipartite NLS from human retinoblastoma protein Complex
Descriptor: Importin alpha-2 subunit, Retinoblastoma-associated protein
Authors:Fontes, M.R.M, Teh, T, Jans, D, Brinkworth, R.I, Kobe, B.
Deposit date:2003-06-03
Release date:2003-08-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the specificity of bipartite nuclear localization sequence binding by importin-alpha
J.Biol.Chem., 278, 2003
5AH0
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BU of 5ah0 by Molmil
STRUCTURE OF LIPASE 1 FROM PELOSINUS FERMENTANS
Descriptor: DI(HYDROXYETHYL)ETHER, LIPASE, POTASSIUM ION, ...
Authors:Hromic, A, Gruber, K, Biundo, A, Ribitsch, D, Quartinello, F, Perz, V, Arrell, M.S, Kalman, F, Guebitz, G.M.
Deposit date:2015-02-04
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of a Poly(Butylene Adipate-Co-Terephthalate)-Hydrolyzing Lipase from Pelosinus Fermentans.
Appl.Microbiol.Biotechnol., 100, 2016
6YA9
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BU of 6ya9 by Molmil
Crystal structure of rsGCaMP in the ON state (non-illuminated)
Descriptor: CALCIUM ION, rsCGaMP
Authors:Janowski, R, Fuenzalida-Werner, J.P, Mishra, K, Stiel, A.C, Niessing, D.
Deposit date:2020-03-11
Release date:2021-10-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging.
Nat.Biotechnol., 2021
6UZP
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BU of 6uzp by Molmil
HLA-B*15:01 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-11-15
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:HLA-B*15:01 complexed with a synthetic peptide
To Be Published
2X8T
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BU of 2x8t by Molmil
Crystal Structure of the Abn2 H318A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:deSanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I.
Deposit date:2010-03-11
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases.
FEBS J., 277, 2010
6UZV
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BU of 6uzv by Molmil
The structure of a red shifted photosystem I complex
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Toporik, H, Williams, D, Chiu, P.L, Mazor, Y.
Deposit date:2019-11-15
Release date:2020-09-16
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of a red-shifted photosystem I reveals a red site in the core antenna.
Nat Commun, 11, 2020

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