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5FGU
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BU of 5fgu by Molmil
Structure of Sda1 nuclease apoprotein as an EGFP fixed-arm fusion
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Green fluorescent protein,Extracellular streptodornase D, ...
著者Moon, A.F, Krahn, J.M, Xun, L, Cuneo, M.J, Pedersen, L.C.
登録日2015-12-21
公開日2016-03-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Structural characterization of the virulence factor Sda1 nuclease from Streptococcus pyogenes.
Nucleic Acids Res., 44, 2016
4ZED
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BU of 4zed by Molmil
PBP AccA from A. tumefaciens C58 in complex with agrocinopine-3'-O-benzoate
分子名称: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
著者El Sahili, A, Morera, S.
登録日2015-04-20
公開日2015-08-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
5FIS
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BU of 5fis by Molmil
Exonuclease domain-containing 1 (Exd1) in the Gd bound conformation
分子名称: EXD1, GADOLINIUM ATOM
著者Yang, Z, Chen, K.M, Pandey, R.R, Homolka, D, Reuter, M, Rodino Janeiro, B.K, Sachidanandam, R, Fauvarque, M.O, McCarthy, A.A, Pillai, R.S.
登録日2015-10-02
公開日2015-12-23
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Piwi Slicing and Exd1 Drive Biogenesis of Nuclear Pirnas from Cytosolic Targets of the Mouse Pirna Pathway
Mol.Cell, 61, 2016
6TEL
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BU of 6tel by Molmil
Crystal structure of Dot1L in complex with an inhibitor (compound 10).
分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, POTASSIUM ION, ...
著者Scheufler, C, Stauffer, F, Be, C, Moebitz, H.
登録日2019-11-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse.
Acs Med.Chem.Lett., 10, 2019
6JHA
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BU of 6jha by Molmil
Crystal structure of NADPH bound AerF from Microcystis aeruginosa
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase family protein, TRIETHYLENE GLYCOL
著者Qiu, X.
登録日2019-02-17
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural and functional investigation of AerF, a NADPH-dependent alkenal double bond reductase participating in the biosynthesis of Choi moiety of aeruginosin
J.Struct.Biol., 2019
5HPG
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BU of 5hpg by Molmil
STRUCTURE AND LIGAND DETERMINANTS OF THE RECOMBINANT KRINGLE 5 DOMAIN OF HUMAN PLASMINOGEN
分子名称: PLASMINOGEN
著者Tulinsky, A, Mochalkin, I, Castellino, F.J.
登録日1997-09-19
公開日1998-03-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure and ligand binding determinants of the recombinant kringle 5 domain of human plasminogen.
Biochemistry, 37, 1998
7BKG
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BU of 7bkg by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2)
分子名称: 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schreuder, H.A, Liesum, A.
登録日2021-01-15
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.326 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
7BB4
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BU of 7bb4 by Molmil
Crystal structure of perdeuterated PLL lectin in complex with L-fucose
分子名称: GLYCEROL, PLL lectin, alpha-L-fucopyranose, ...
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-16
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
5NPL
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BU of 5npl by Molmil
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria, Yb-derivative at 2.8 A resolution
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, Similar to tr|Q8YYT1|Q8YYT1, YTTERBIUM (III) ION
著者Hackenberg, C, Hakanpaa, J, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
登録日2017-04-17
公開日2018-05-30
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NRB
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BU of 5nrb by Molmil
A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - alpha-3GalT in complex with Co2+, UDP-Gal and lactose - a3GalT-Co2+-UDP-Gal-LAT-1
分子名称: COBALT (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, N-acetyllactosaminide alpha-1,3-galactosyltransferase, ...
著者Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E.
登録日2017-04-22
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
6TID
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BU of 6tid by Molmil
Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with H-type 1 antigen
分子名称: Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Varrot, A, Bermeo, R.
登録日2019-11-22
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.614 Å)
主引用文献BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information.
Molecules, 25, 2020
6T5T
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BU of 6t5t by Molmil
Crystal structure of Archaeoglobus fulgidus Argonaute protein with cognate DNA oligoduplex 5'-pATTGTGGCCACAAT
分子名称: 5'-D(*AP*TP*TP*GP*TP*GP*GP*CP*CP*AP*CP*AP*AP*TP)-3', BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Grazulis, S, Zaremba, M.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7003 Å)
主引用文献Crystal structure of Archaeoglobus fulgidus Argonaute protein with cognate DNA oligoduplex 5'-pATTGTGGCCACAAT
To be published
7BLE
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BU of 7ble by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3)
分子名称: 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schreuder, H.A, Liesum, A.
登録日2021-01-18
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.809 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
5HDX
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BU of 5hdx by Molmil
BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-[(2E,4aR,7aR)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
6JKC
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BU of 6jkc by Molmil
Crystal structure of tetrameric PepTSo2 in P4212 space group
分子名称: Proton:oligopeptide symporter POT family
著者Nagamura, R, Fukuda, M, Ishitani, R, Nureki, O.
登録日2019-02-28
公開日2019-05-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis for oligomerization of the prokaryotic peptide transporter PepTSo2.
Acta Crystallogr.,Sect.F, 75, 2019
5HE4
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BU of 5he4 by Molmil
BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
7BBC
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BU of 7bbc by Molmil
Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose
分子名称: PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose
著者Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M.
登録日2020-12-17
公開日2021-03-24
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION
主引用文献Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
5HU1
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BU of 5hu1 by Molmil
BACE1 in complex with (R)-N-(3-(3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl)-5-fluoropicolinamide
分子名称: Beta-secretase 1, N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
著者Orth, P.
登録日2016-01-27
公開日2016-11-09
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease.
J. Med. Chem., 59, 2016
5HUK
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BU of 5huk by Molmil
The crystal structure of neuraminidase from A/Northern pintail/Washington/40964/2014 influenza virus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Yang, H, Carney, P.J, Guo, Z, Chang, J.C, Stevens, J.
登録日2016-01-27
公開日2016-04-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Molecular Characterizations of Surface Proteins Hemagglutinin and Neuraminidase from Recent H5Nx Avian Influenza Viruses.
J.Virol., 90, 2016
5NCD
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BU of 5ncd by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2-amino-5-(diaminomethylideneamino)-N-hydroxypentanamide
分子名称: ACETATE ION, CITRIC ACID, N-HYDROXY-L-ARGININAMIDE, ...
著者Giastas, P, Andreou, A, Eliopoulos, E.E.
登録日2017-03-03
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
6JIR
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BU of 6jir by Molmil
Crystal structure of C. crescentus beta sliding clamp with PEG bound to putative beta-motif tethering region
分子名称: 1,2-ETHANEDIOL, Beta sliding clamp, DI(HYDROXYETHYL)ETHER, ...
著者Jiang, X, Teng, M, Li, X.
登録日2019-02-23
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Caulobacter crescentus beta sliding clamp employs a noncanonical regulatory model of DNA replication.
Febs J., 287, 2020
5NFO
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BU of 5nfo by Molmil
Human JMJD7 in complex with Mn and 2OG in the P21212 form
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
著者Chowdhury, R, Markolovic, S, Schofield, C.J.
登録日2017-03-14
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
7BG3
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BU of 7bg3 by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2046
分子名称: 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-01-05
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
5NG2
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BU of 5ng2 by Molmil
Structure of RIP2K(D146N) with bound Staurosporine
分子名称: PHOSPHATE ION, Receptor-interacting serine/threonine-protein kinase 2, STAUROSPORINE
著者Pellegrini, E, Cusack, S.
登録日2017-03-16
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation.
PLoS ONE, 12, 2017
7BIY
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BU of 7biy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175
分子名称: 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-13
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021

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件を2024-08-28に公開中

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