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6QIQ
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Crystal structure of seleno-derivative CAG repeats with synthetic CMBL3a compound
分子名称: CMBL3a, RNA (5'-R(*GP*CP*AP*G)-D(P*(CSL))-R(P*AP*GP*C)-3')
著者Kiliszek, A, Blaszczyk, L, Rypniewski, W, Micura, R, Nakatani, K.
登録日2019-01-21
公開日2019-09-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.519 Å)
主引用文献Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
6QIT
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BU of 6qit by Molmil
Crystal structure of CAG repeats with synthetic CMBL3b compound
分子名称: CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3')
著者Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K.
登録日2019-01-21
公開日2019-09-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019
7MC6
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BU of 7mc6 by Molmil
Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H.
登録日2021-04-01
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Proc.Natl.Acad.Sci.USA, 119, 2022
8F0Q
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BU of 8f0q by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the acylsulfonamide inhibitor GDC-0310
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-4-({1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-(methanesulfonyl)benzamide, ...
著者Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
登録日2022-11-03
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
7MC5
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BU of 7mc5 by Molmil
Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ...
著者Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H.
登録日2021-04-01
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Proc.Natl.Acad.Sci.USA, 119, 2022
6QLC
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BU of 6qlc by Molmil
The ssDNA-binding RNA polymerase cofactor Drc from Pseudomonas phage LUZ7
分子名称: PHOSPHATE ION, ssDNA binding RNA Polymerase cofactor
著者De Zitter, E, Boon, M, De Smet, J, Lavigne, R, Van Meervelt, L.
登録日2019-01-31
公開日2019-10-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献'Drc', a structurally novel ssDNA-binding transcription regulator of N4-related bacterial viruses.
Nucleic Acids Res., 48, 2020
8EIZ
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BU of 8eiz by Molmil
Cryo-EM structure of squid sensory receptor CRB1
分子名称: N-benzyl-2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethan-1-aminium, Squid sensory receptor CRB1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kang, G, Kim, J.J, Allard, C.A.H, Valencia-Montoya, W.A, van Giesen, L, Kilian, P.B, Bai, X, Bellono, N.W, Hibbs, R.E.
登録日2022-09-15
公開日2023-04-12
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Sensory specializations drive octopus and squid behaviour.
Nature, 616, 2023
6QLF
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BU of 6qlf by Molmil
Structure of inner kinetochore CCAN complex with mask1
分子名称: Inner kinetochore subunit AME1, Inner kinetochore subunit CHL4, Inner kinetochore subunit CTF19, ...
著者Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
登録日2019-01-31
公開日2019-10-02
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
8F0S
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BU of 8f0s by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
登録日2022-11-03
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
8F0P
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BU of 8f0p by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
登録日2022-11-03
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
8F0R
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BU of 8f0r by Molmil
Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide, ...
著者Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C.
登録日2022-11-03
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
6Q56
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BU of 6q56 by Molmil
Crystal structure of the B. subtilis M1A22 tRNA methyltransferase TrmK
分子名称: NICKEL (II) ION, tRNA (adenine(22)-N(1))-methyltransferase
著者Degut, C, Roovers, M, Barraud, P, Brachet, F, Feller, A, Larue, V, Al Refaii, A, Caillet, J, Droogmans, L, Tisne, C.
登録日2018-12-07
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural characterization of B. subtilis m1A22 tRNA methyltransferase TrmK: insights into tRNA recognition.
Nucleic Acids Res., 47, 2019
6Q50
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BU of 6q50 by Molmil
Structure of MPT-4, a mannose phosphorylase from Leishmania mexicana, in complex with phosphate ion
分子名称: 1,2-ETHANEDIOL, MPT-4, PHOSPHATE ION, ...
著者Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
登録日2018-12-06
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
8ERP
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BU of 8erp by Molmil
Structure of Xenopus cholinephosphotransferase1 in complex with CDP-choline
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Cholinephosphotransferase 1, MAGNESIUM ION, ...
著者Wang, L, Zhou, M.
登録日2022-10-12
公開日2023-04-26
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis.
Nat Commun, 14, 2023
8ERO
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BU of 8ero by Molmil
Structure of Xenopus cholinephosphotransferase1 in complex with CDP
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CYTIDINE-5'-DIPHOSPHATE, Cholinephosphotransferase 1, ...
著者Wang, L, Zhou, M.
登録日2022-10-12
公開日2023-04-26
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis.
Nat Commun, 14, 2023
8F6P
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BU of 8f6p by Molmil
Rat Cardiac Sodium Channel with Ranolazine Bound
分子名称: (R)-ranolazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lenaeus, M.J, Tonggu, L.
登録日2022-11-16
公開日2023-04-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural Basis for Inhibition of the Cardiac Sodium Channel by the Atypical Antiarrhythmic Drug Ranolazine
To Be Published
6QDW
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BU of 6qdw by Molmil
Cryo-EM structure of the 50S ribosomal subunit at 2.83 Angstroms with modeled GBC SecM peptide
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Schulte, L, Reitz, J, Hodirnau, V.V, Kudlinzki, D, Mao, J, Glaubitz, C, Frangakis, A, Schwalbe, H.
登録日2019-01-03
公開日2020-01-15
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Cysteine oxidation and disulfide formation in the ribosomal exit tunnel.
Nat Commun, 11, 2020
427D
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BU of 427d by Molmil
5'-D(*CP*GP*CP*(CH2-DM1)GP*CP*G)-3'
分子名称: DAUNOMYCIN, DNA (5'-D(*CP*GP*CP*(G49)P*CP*G)-3')
著者Schuerman, G, Van Meervelt, L.
登録日1998-09-21
公開日2000-01-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Conformational Flexibility of the DNA Backbone.
J.Am.Chem.Soc., 122, 2000
6Q5Z
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BU of 6q5z by Molmil
H-Vc7.2, H-superfamily conotoxin
分子名称: Conotoxin Vc7.2
著者Nielsen, L.D, Foged, M.M, Teilum, K, Ellgaard, L.
登録日2018-12-10
公開日2019-04-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The three-dimensional structure of an H-superfamily conotoxin reveals a granulin fold arising from a common ICK cysteine framework.
J.Biol.Chem., 294, 2019
6QE4
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BU of 6qe4 by Molmil
Re-refinement of 5OLI human IBA57-I3C
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Putative transferase CAF17, mitochondrial
著者Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V.
登録日2019-01-04
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Acta Crystallogr D Struct Biol, 75, 2019
4A52
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BU of 4a52 by Molmil
NMR structure of the imipenem-acylated L,D-transpeptidase from Bacillus subtilis
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, PUTATIVE L, D-TRANSPEPTIDASE YKUD
著者Lecoq, L, Simorre, J, Bougault, C, Arthur, M, Hugonnet, J, Veckerle, C, Pessey, O.
登録日2011-10-24
公開日2012-05-30
最終更新日2018-01-24
実験手法SOLUTION NMR
主引用文献Dynamics Induced by Beta-Lactam Antibiotics in the Active Site of Bacillus subtilis L,D-Transpeptidase.
Structure, 20, 2012
6QJA
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BU of 6qja by Molmil
Organizational principles of the NuMA-Dynein interaction interface and implications for mitotic spindle functions
分子名称: CHLORIDE ION, MAGNESIUM ION, Nuclear mitotic apparatus protein 1
著者Renna, C, Rizzelli, F, Carminati, M, Gaddoni, C, Pirovano, L, Cecatiello, V, Pasqualato, S, Mapelli, M.
登録日2019-01-23
公開日2020-02-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Organizational Principles of the NuMA-Dynein Interaction Interface and Implications for Mitotic Spindle Functions.
Structure, 28, 2020
6QKY
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BU of 6qky by Molmil
Tryptophan synthase subunit alpha from Streptococcus pneumoniae with 3D domain swap in the core of TIM barrel
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Michalska, K, Kowiel, M, Bigelow, L, Endres, M, Gilski, M, Jaskolski, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-30
公開日2019-03-27
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献3D domain swapping in the TIM barrel of the alpha subunit of Streptococcus pneumoniae tryptophan synthase.
Acta Crystallogr D Struct Biol, 76, 2020
6QE3
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BU of 6qe3 by Molmil
Re-refinement of 6ESR human IBA57 at 1.75 A resolution
分子名称: Putative transferase CAF17, mitochondrial
著者Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L.
登録日2019-01-04
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Acta Crystallogr D Struct Biol, 75, 2019
6QIR
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BU of 6qir by Molmil
Crystal structure of CAG repeats with synthetic CMBL3a compound (model I)
分子名称: CMBL3a, RNA (5'-R(*GP*CP*AP*GP*CP*AP*GP*C)-3')
著者Kiliszek, A, Blaszczyk, L, Rypniewski, W, Nakatani, K.
登録日2019-01-21
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats.
Nucleic Acids Res., 47, 2019

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