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6YCV
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BU of 6ycv by Molmil
2'-F-riboguanosine and LNA modified hybrid type G-quadruplex with V-loop
分子名称: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*(GF2))-R(P*(LCG))-D(P*GP*GP*AP*CP*GP*GP*G)-3')
著者Weisz, K, Haase, L.
登録日2020-03-19
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Locked nucleic acid building blocks as versatile tools for advanced G-quadruplex design.
Nucleic Acids Res., 48, 2020
2VLD
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BU of 2vld by Molmil
crystal structure of a repair endonuclease from Pyrococcus abyssi
分子名称: Endonuclease NucS
著者Ren, B, Kuhn, J, Meslet-Cladiere, L, Briffotaux, J, Norais, C, Lavigne, R, Flament, D, Ladenstein, R, Myllykallio, H.
登録日2008-01-14
公開日2009-05-19
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and function of a novel endonuclease acting on branched DNA substrates.
EMBO J., 28, 2009
6YG3
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BU of 6yg3 by Molmil
Crystal structure of MKK7 (MAP2K7) covalently bound with CPT1-70-1
分子名称: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
著者Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
6YEP
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BU of 6yep by Molmil
LNA modified G-quadruplex with flipped G-tract and central tetrad
分子名称: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*G)-R(P*(LCG))-D(P*GP*GP*AP*CP*GP*GP*G)-3')
著者Weisz, K, Haase, L.
登録日2020-03-25
公開日2020-09-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Locked nucleic acid building blocks as versatile tools for advanced G-quadruplex design.
Nucleic Acids Res., 48, 2020
6YG7
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BU of 6yg7 by Molmil
Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor SB1-G-23
分子名称: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide
著者Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-27
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
6YJQ
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BU of 6yjq by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A,Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
著者Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
登録日2020-04-04
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJT
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BU of 6yjt by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
著者Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
登録日2020-04-04
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
2V3L
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BU of 2v3l by Molmil
Orientational and dynamical heterogeneity of Rhodamine 6G terminally attached to a DNA helix
分子名称: 5'-D(*CP*AP*AP*AP*GP*CP*GP*CP*CP*AP *TP*TP*CP*GP*CP*CP*AP*TP*TP*C)-3', 5'-D(*GP*AP*AP*TP*GP*GP*CP*GP*AP*AP *TP*GP*GP*CP*GP*CP*TP*TP*TP*G)-3', RHODAMINE 6G
著者Neubauer, H, Gaiko, N, Berger, S, Schaffer, J, Eggeling, C, Tuma, J, Verdier, L, Seidel, C.A.M, Griesinger, C, Volkmer, A.
登録日2007-06-18
公開日2007-10-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Orientational and Dynamical Heterogeneity of Rhodamine 6G Terminally Attached to a DNA Helix Revealed by NMR and Single-Molecule Fluorescence Spectroscopy.
J.Am.Chem.Soc., 129, 2007
2V4B
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BU of 2v4b by Molmil
Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (apo-form)
分子名称: ADAMTS-1, CADMIUM ION, MAGNESIUM ION, ...
著者Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M.
登録日2007-06-28
公開日2008-01-15
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Human Adamts-1 Reveal a Conserved Catalytic Domain and a Disintegrin-Like Domain with a Fold Homologous to Cysteine-Rich Domains.
J.Mol.Biol., 373, 2007
6YKN
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BU of 6ykn by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11b
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-04-06
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
6YKX
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BU of 6ykx by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11j
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-04-06
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
6YKW
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BU of 6ykw by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11h
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-04-06
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
6YLB
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BU of 6ylb by Molmil
Crystal structure of the SAM-SAH riboswitch with SAM
分子名称: Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, S-ADENOSYLMETHIONINE
著者Huang, L, Lilley, D.M.J.
登録日2020-04-07
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 2020
6YLF
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BU of 6ylf by Molmil
Rix1-Rea1 pre-60S particle - Rea1, body 3 (rigid body refinement, composite structure of Rea1 ring and tail)
分子名称: Midasin, Ribosome assembly protein 4
著者Kater, L, Beckmann, R.
登録日2020-04-07
公開日2020-07-29
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Construction of the Central Protuberance and L1 Stalk during 60S Subunit Biogenesis.
Mol.Cell, 79, 2020
6YNN
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BU of 6ynn by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_135
分子名称: 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
2X02
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BU of 2x02 by Molmil
CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10 AT 1.35 A RESOLUTION
分子名称: BETA-LACTAMASE OXA-10, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Vercheval, L, Kerff, F, Sauvage, E, Herman, R, Galleni, M, Charlier, P.
登録日2009-12-04
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Impact of the Carboxylated Lysine on the Acylation and Deacylation Step in Class D Beta-Lactamase
To be Published
6YML
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BU of 6yml by Molmil
Crystal structure of the SAM-SAH riboswitch with decarboxylated SAH
分子名称: 5'-S-(3-aminopropyl)-5'-thioadenosine, ADENOSINE MONOPHOSPHATE, Chains: A,C, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-08
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
3A2K
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BU of 3a2k by Molmil
Crystal structure of TilS complexed with tRNA
分子名称: bacterial tRNA, tRNA(Ile)-lysidine synthase
著者Nakanishi, K, Bonnefond, L, Ishitani, R, Nureki, O.
登録日2009-05-23
公開日2009-10-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Structural basis for translational fidelity ensured by transfer RNA lysidine synthetase.
Nature, 461, 2009
6XZP
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BU of 6xzp by Molmil
Influenza C virus polymerase in complex with chicken ANP32A - Subclass 4
分子名称: LRRcap domain-containing protein, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E.
登録日2020-02-05
公開日2020-11-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
2WHB
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BU of 2whb by Molmil
Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
分子名称: ARG-ARG-L3O-PFF, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2
著者Kontopidis, G, Andrews, M.J, McInnes, C, Plater, A, Innes, L, Renachowski, S, Cowan, A, Fischer, P.M.
登録日2009-05-03
公開日2009-06-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Truncation and optimisation of peptide inhibitors of cyclin-dependent kinase 2-cyclin a through structure-guided design.
Chemmedchem, 4, 2009
3IWU
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BU of 3iwu by Molmil
Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase
分子名称: 5-hydroxyisourate hydrolase
著者Cendron, L, Ramazzina, I, Berni, R, Percudani, R, Zanotti, G.
登録日2009-09-03
公開日2010-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Probing the evolution of hydroxyisourate hydrolase into transthyretin through active-site redesign.
J.Mol.Biol., 409, 2011
2WKH
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BU of 2wkh by Molmil
Crystal structure of the acyl-enzyme OXA-10 K70C-Ampicillin at pH 7
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, BETA-LACTAMASE OXA-10, SULFATE ION
著者Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
登録日2009-06-11
公開日2010-08-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2WL0
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HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity
分子名称: METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE
著者Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T.
登録日2009-06-19
公開日2009-12-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
J.Med.Chem., 53, 2010
6YMK
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BU of 6ymk by Molmil
Crystal structure of the SAM-SAH riboswitch with AMP
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Chains: A,C,F,I,M,O, Chains: B,D,G,J,N,P, ...
著者Huang, L, Lilley, D.M.J.
登録日2020-04-08
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure and ligand-induced folding of the SAM/SAH riboswitch.
Nucleic Acids Res., 48, 2020
3EWS
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BU of 3ews by Molmil
Human DEAD-box RNA-helicase DDX19 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX19B
著者Lehtio, l, Karlberg, t, Andersson, j, Arrowsmith, c.h, Berglund, h, Bountra, c, Collins, r, Dahlgren, l.g, Edwards, a.m, Flodin, s, Flores, a, Graslund, s, Hammarstrom, m, Johansson, a, Johansson, i, Kotenyova, t, Moche, m, Nilsson, m.e, Nordlund, p, Nyman, t, Olesen, k, Persson, c, Sagemark, j, Thorsell, a.g, Tresaugues, l, Van den berg, s, Weigelt, j, Welin, m, Wikstrom, m, Wisniewska, m, Schueler, h, Structural Genomics Consortium (SGC)
登録日2008-10-16
公開日2008-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The DEXD/H-box RNA Helicase DDX19 Is Regulated by an {alpha}-Helical Switch.
J.Biol.Chem., 284, 2009

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