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7SDH
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[S:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*(IMC)P*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.05 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
6ZUQ
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Crystal structure of the effector Ecp11-1 from Fulvia fulva
分子名称: Extracellular protein 11-1, GLYCEROL, ZINC ION
著者Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I.
登録日2020-07-23
公開日2021-08-04
最終更新日2022-07-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.
Plos Pathog., 18, 2022
7SDW
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[T:Hg2+:mC] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(5CM)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Lu, B, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-09-29
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
7PNG
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Solution structure of 1:1 complex of an indoloquinoline derivative SYUIQ-5 to parallel quadruplex-duplex (Q-D) hybrid
分子名称: DNA (37-MER), ~{N}-(5~{H}-indolo[3,2-b]quinolin-11-yl)-~{N}',~{N}'-dimethyl-propane-1,3-diamine
著者Vianney, Y.M, Weisz, K.
登録日2021-09-06
公開日2021-12-29
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Indoloquinoline Ligands Favor Intercalation at Quadruplex-Duplex Interfaces.
Chemistry, 28, 2022
8OY3
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Time-resolved SFX structure of the class II photolyase complexed with a thymine dimer (3 picosecond pump-probe delay)
分子名称: COUNTERSTRAND-OLIGONUCLEOTIDE, CPD-COMPRISING OLIGONUCLEOTIDE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Lane, T.J, Christou, N.-E, Melo, D.V.M, Apostolopoulou, V, Pateras, A, Mashhour, A.R, Galchenkova, M, Gunther, S, Reinke, P, Kremling, V, Oberthuer, D, Henkel, A, Sprenger, J, Scheer, T.E.S, Lange, E, Yefanov, O.N, Middendorf, P, Sellberg, J.A, Schubert, R, Fadini, A, Cirelli, C, Beale, E.V, Johnson, P, Dworkowski, F, Ozerov, D, Bertrand, Q, Wranik, M, Zitter, E.D, Turk, D, Bajt, S, Chapman, H, Bacellar, C.
登録日2023-05-03
公開日2023-11-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Time-resolved crystallography captures light-driven DNA repair.
Science, 382, 2023
2YZG
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Crystal structure of D-ALA:D-ALA Ligase from Thermus thermophilus HB8
分子名称: D-alanine--D-alanine ligase
著者Kitamura, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-05
公開日2007-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of D-ALA:D-ALA Ligase from Thermus thermophilus HB8
To be Published
7SG8
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[T-T] DNA mismatch in a self-assembling rhombohedral lattice
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ...
著者Vecchioni, S, Lu, B, Bernfeld, W, Seeman, N.C, Sha, R, Ohayon, Y.P.
登録日2021-10-05
公開日2022-10-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.71 Å)
主引用文献Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
3GXV
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BU of 3gxv by Molmil
Three-dimensional structure of N-terminal domain of DnaB Helicase from Helicobacter pylori and its interactions with primase
分子名称: Replicative DNA helicase
著者Kashav, T, Nitharwal, R, Syed, A.A, Gabdoulkhakov, A, Saenger, W, Dhar, K.S, Gourinath, S.
登録日2009-04-03
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structure of N-terminal domain of DnaB helicase and helicase-primase interactions in Helicobacter pylori
Plos One, 4, 2009
8P0L
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Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ...
著者Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C.
登録日2023-05-10
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics.
Acs Catalysis, 13, 2023
5KCV
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BU of 5kcv by Molmil
Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1
分子名称: 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase
著者Eathiraj, S.
登録日2016-06-07
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
7PQ8
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BU of 7pq8 by Molmil
Crystal structure of Campylobacter jejuni DsbA1
分子名称: TETRAETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA
著者Orlikowska, M, Bocian-Ostrzycka, K.M, Banas, A.M, Jagusztyn-Krynicka, E.K.
登録日2021-09-16
公開日2021-12-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.329 Å)
主引用文献Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis.
Int J Mol Sci, 22, 2021
7DGW
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BU of 7dgw by Molmil
De novo designed protein H4A2S
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, de novo designed protein H4A2S
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-11-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
6ZW1
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BU of 6zw1 by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101
分子名称: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ...
著者Barinka, C, Motlova, L, Ustinova, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.
J.Med.Chem., 64, 2021
5KDI
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BU of 5kdi by Molmil
How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold
分子名称: (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8
著者Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L.
登録日2016-06-08
公開日2017-12-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family.
J.Biol.Chem., 293, 2018
7DJI
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BU of 7dji by Molmil
Crystal structure of Lymnaea stagnalis Acetylcholine binding protein (AChBP) complexed with Paraherquamide A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, Paraherquamide A
著者Ihara, M, Matsuda, K.
登録日2020-11-20
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Determinants of subtype-selectivity of the anthelmintic paraherquamide A on Caenorhabditis elegans nicotinic acetylcholine receptors.
Mol.Pharmacol., 2023
2FRH
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BU of 2frh by Molmil
Crystal Structure of Sara, A Transcription Regulator From Staphylococcus Aureus
分子名称: CALCIUM ION, Staphylococcal accessory regulator A
著者Liu, Y, Manna, A.C, Ingavale, S, Cheung, A.L, Zhang, G.
登録日2006-01-19
公開日2006-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and function analyses of the global regulatory protein SarA from Staphylococcus aureus.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8P35
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BU of 8p35 by Molmil
Mutant human titin immunoglobulin-like 21 domain - C3575S
分子名称: Titin
著者Martinez-Martin, I, Crousilles, A, Mortensen, S.A, Alegre-Cebollada, J, Wilmanns, M.
登録日2023-05-17
公開日2023-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Titin domains with reduced core hydrophobicity cause dilated cardiomyopathy.
Cell Rep, 42, 2023
7DGG
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BU of 7dgg by Molmil
The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
分子名称: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者Shang, L.Q, Wang, H.
登録日2020-11-11
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
6ZZ2
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BU of 6zz2 by Molmil
Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
分子名称: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
著者Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H.
登録日2020-08-03
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.14885437 Å)
主引用文献Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
To Be Published
7PRG
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BU of 7prg by Molmil
Joint X-ray/neutron room temperature structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-21
公開日2022-01-12
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
7SGK
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-728
分子名称: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
2LU4
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BU of 2lu4 by Molmil
Solution NMR structure of the beta2 carbohydrate module of AMP-activated protein kinase bound to glucosyl-cyclodextrin
分子名称: 5'-AMP-activated protein kinase subunit beta-2
著者Gooley, P, Koay, A, Stapleton, D.
登録日2012-06-08
公開日2013-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and carbohydrate binding of the beta2-subunit of AMP-activated protein kinase
To be Published
2FSP
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BU of 2fsp by Molmil
NMR SOLUTION STRUCTURE OF BACILLUS SUBTILIS SPO0F PROTEIN, MINIMIZED AVERAGE STRUCTURE
分子名称: STAGE 0 SPORULATION PROTEIN F
著者Feher, V.A, Skelton, N.J, Dahlquist, F.W, Cavanagh, J.
登録日1997-06-06
公開日1997-12-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献High-resolution NMR structure and backbone dynamics of the Bacillus subtilis response regulator, Spo0F: implications for phosphorylation and molecular recognition.
Biochemistry, 36, 1997
7PSY
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BU of 7psy by Molmil
X-ray crystal structure of perdeuterated LecB lectin in complex with perdeuterated fucose
分子名称: CALCIUM ION, Fucose-binding lectin, SULFATE ION, ...
著者Gajdos, L, Blakeley, M.P, Haertlein, M, Forsyth, T.V, Devos, J.M, Imberty, A.
登録日2021-09-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Neutron crystallography reveals mechanisms used by Pseudomonas aeruginosa for host-cell binding.
Nat Commun, 13, 2022
7GZX
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Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011176-001
分子名称: 7-[(1S)-2-methyl-1-{[(6M)-6-{5-[(methylamino)methyl]furan-3-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione, Papain-like protease nsp3
著者Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F.
登録日2024-01-23
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre
To Be Published

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