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PDB: 53266 件

8BON
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Structure of the SARS-CoV-2 spike glycoprotein in complex with the macrocyclic peptide S1B3inL1
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, Macrocyclic peptide S1B3inL1, ...
著者Hurdiss, D.L.
登録日2022-11-15
公開日2023-06-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A broad-spectrum macrocyclic peptide inhibitor of the SARS-CoV-2 spike protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
8KFW
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Crystal structure of ZmMOC1 K229A in complex with a nicked Holliday junction soaked in Mn2+ for 600 seconds
分子名称: 1,2-ETHANEDIOL, DNA (26-MER), DNA (33-MER), ...
著者Zhang, D, Luo, Z, Lin, Z.
登録日2023-08-16
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions.
Nat Commun, 15, 2024
8KFS
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Crystal structure of ZmMOC1/nicked Holliday junction complex at ground state
分子名称: DNA (25-MER), DNA (33-MER), DNA (5'-D(P*CP*AP*CP*GP*AP*TP*TP*G)-3'), ...
著者Zhang, D, Luo, Z, Lin, Z.
登録日2023-08-16
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions.
Nat Commun, 15, 2024
5JQ3
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Crystal structure of Ebola glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ...
著者Zhao, Y, Ren, J, Stuart, D.I.
登録日2016-05-04
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
4ZAA
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Structure of A. niger Fdc1 in complex with 4-vinyl guaiacol
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, 2-Methoxy-4-vinylphenol, ...
著者Payne, K.A.P, Leys, D.
登録日2015-04-13
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.242 Å)
主引用文献New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
4ZFZ
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Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with myristoylated 5-mer lipopeptide derived from SIV Nef protein
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-mer lipopeptide from Protein Nef, ...
著者Morita, D, Sugita, M.
登録日2015-04-22
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.763 Å)
主引用文献Crystal structure of the N-myristoylated lipopeptide-bound MHC class I complex
Nat Commun, 7, 2016
5JLV
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Receptor binding domain of Botulinum neurotoxin A in complex with human glycosylated SV2C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R.
登録日2016-04-27
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
8B97
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N-terminal beta-trefoil lectin domain of the Laccaria bicolor lectin in complex with N-acetyl-lactosamine
分子名称: Beta-trefoil domain of the LBL lectin, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M.
登録日2022-10-05
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor.
Int.J.Biol.Macromol., 233, 2023
7SHG
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Polysaccharide ribofuranosyl transferase from Thermobacillus composti
分子名称: CHLORIDE ION, MAGNESIUM ION, Ribofuranosyl transferase
著者Kimber, M.S, Kelly, S.D.
登録日2021-10-08
公開日2022-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The biosynthetic origin of ribofuranose in bacterial polysaccharides.
Nat.Chem.Biol., 18, 2022
5L6M
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Structure of Caulobacter crescentus VapBC1 (VapB1deltaC:VapC1 form)
分子名称: GLYCEROL, MALONATE ION, Ribonuclease VapC, ...
著者Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E.
登録日2016-05-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding.
Nucleic Acids Res., 45, 2017
6OY4
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BU of 6oy4 by Molmil
Crystal structure of complex between recombinant Der p 2.0103 and Fab fragment of 7A1
分子名称: Der p 2 variant 3, Fab fragment of IgG, HEAVY CHAIN, ...
著者Kapingidza, A.B, Offermann, L.R, Glesner, J, Wunschmann, S, Vailes, L.D, Chapman, M.D.C, Pomes, A, Chruszcz, M.
登録日2019-05-14
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A Human IgE Antibody Binding Site on Der p 2 for the Design of a Recombinant Allergen for Immunotherapy.
J Immunol., 203, 2019
7SCR
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BU of 7scr by Molmil
Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate
分子名称: ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Guddat, L.W, Keough, D.T.
登録日2021-09-29
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12068486 Å)
主引用文献Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
6ULL
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BshB from Bacillus subtilis complexed with a substrate analogue
分子名称: (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid, N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1, SULFATE ION, ...
著者Cook, P.D, Castleman, M.M, Woodward, R.L.
登録日2019-10-08
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献X-ray crystallographic structure of BshB, the zinc-dependent deacetylase involved in bacillithiol biosynthesis.
Protein Sci., 29, 2020
8EV2
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Dual Modulators
分子名称: (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ...
著者Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G.
登録日2022-10-19
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
7NPX
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BU of 7npx by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking
分子名称: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Fata, F, Silvestri, I, Williams, D.L, Angelucci, F.
登録日2021-02-28
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
5KWP
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NMR Solution Structure of Designed Peptide NC_EEH_D2
分子名称: Designed peptide NC_EEH_D2
著者Harvey, P.J, Craik, D.J.
登録日2016-07-18
公開日2016-09-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
8OV3
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SARS-CoV-2 nsp10-16 methyltransferase in complex with 5-Iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ...
著者Kremling, V, Sprenger, J, Oberthuer, D.
登録日2023-04-25
公開日2023-05-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
4WGL
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Crystal structure of a GroEL D83A/R197A double mutant
分子名称: 60 kDa chaperonin
著者Yang, D, Fei, X, LaRonde, N.A, Beckett, D, Lund, P.A, Lorimer, G.H.
登録日2014-09-19
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Crystal structure of a GroEL D83A/R197A double mutant
To Be Published
8OOV
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human NME-1 in complex with CoA
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
著者Gouge, J, Hristov, H.D.
登録日2023-04-06
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Unique Mode of Coenzyme A Binding to the Nucleotide Binding Pocket of Human Metastasis Suppressor NME1.
Int J Mol Sci, 24, 2023
7P9W
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Epstein-Barr virus encoded apoptosis regulator BHRF1 in complex with Puma BH3
分子名称: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, AMMONIUM ION, ...
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2021-07-28
公開日2022-08-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.00010061 Å)
主引用文献Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides.
Viruses, 14, 2022
8OV2
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SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Kremling, V, Sprenger, J, Oberthuer, D.
登録日2023-04-25
公開日2023-05-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
6TX8
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CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH IMIDAZOLE
分子名称: CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Fiegen, D, Draxler, S.W.
登録日2020-01-13
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6RKD
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Molybdenum storage protein under turnover conditions
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MO(VI)(=O)(OH)2 CLUSTER, ...
著者Bruenle, S, Mills, D.J, Vonck, J, Ermler, U.
登録日2019-04-30
公開日2019-12-18
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
Proc.Natl.Acad.Sci.USA, 2019
7SBH
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BU of 7sbh by Molmil
Crystal structure of the iron superoxide dismutase from Acinetobacter sp. Ver3
分子名称: FE (III) ION, FLAVIN MONONUCLEOTIDE, Superoxide dismutase
著者Steimbruch, B.A, Albanesi, D, Repizo, G.D, Lisa, M.N.
登録日2021-09-24
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献The distinctive roles played by the superoxide dismutases of the extremophile Acinetobacter sp. Ver3.
Sci Rep, 12, 2022
8P82
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Cryo-EM structure of dimeric UBR5
分子名称: E3 ubiquitin-protein ligase UBR5, ZINC ION
著者Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
登録日2023-05-31
公開日2023-06-14
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023

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件を2024-09-04に公開中

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