1AXH
 
 | | ATRACOTOXIN-HVI FROM HADRONYCHE VERSUTA (AUSTRALIAN FUNNEL-WEB SPIDER, NMR, 20 STRUCTURES | | 分子名称: | ATRACOTOXIN-HVI | | 著者 | Fletcher, J.I, O'Donoghue, S.I, Nilges, M, King, G.F. | | 登録日 | 1996-11-04 | | 公開日 | 1997-11-12 | | 最終更新日 | 2021-02-03 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The structure of a novel insecticidal neurotoxin, omega-atracotoxin-HV1, from the venom of an Australian funnel web spider.
Nat.Struct.Biol., 4, 1997
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5YEG
 | | Crystal structure of CTCF ZFs4-8-Hs5-1a complex | | 分子名称: | DNA (5'-D(*AP*CP*TP*TP*TP*AP*AP*CP*CP*AP*GP*CP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*GP*CP*TP*GP*GP*TP*TP*AP*AP*AP*G)-3'), Transcriptional repressor CTCF, ... | | 著者 | Yin, M, Wang, J, Wang, M, Li, X. | | 登録日 | 2017-09-17 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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8RXR
 | | Crystal structure of VPS34 in complex with inhibitor SB02024 | | 分子名称: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | | 登録日 | 2024-02-07 | | 公開日 | 2024-03-20 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 18, 2024
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4X8O
 | | Crystal structure of E. coli Adenylate kinase Y171W mutant in complex with inhibitor Ap5a | | 分子名称: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | | 登録日 | 2014-12-10 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
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7AQ1
 | | Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270 | | 分子名称: | 1,2-ETHANEDIOL, 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 | Linnert, M, Parthier, C, Fritz, C. | | 登録日 | 2020-10-20 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.413 Å) | | 主引用文献 | Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor.
Int J Mol Sci, 22, 2021
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8RZL
 | | Sulfolobus acidocaldarius threads (0406) filament. | | 分子名称: | Sulfolobus acidocaldarius threads (0406) filament., alpha-D-mannopyranose, beta-D-glucopyranose-(1-4)-6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Isupov, M.N, Gaines, M, McLaren, M, Daum, B. | | 登録日 | 2024-02-12 | | 公開日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Sulfolobus acidocaldarius threads (0406) filament.
To Be Published
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4WUY
 | | Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor | | 分子名称: | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ... | | 著者 | Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M. | | 登録日 | 2014-11-04 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
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7W3W
 | | X-ray structure of apo-VmFbpA, a ferric ion-binding protein from Vibrio metschnikovii | | 分子名称: | Iron-utilization periplasmic protein | | 著者 | Lu, P, Sui, M, Zhang, M, Nagata, K. | | 登録日 | 2021-11-26 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.858 Å) | | 主引用文献 | Rosmarinic Acid and Sodium Citrate Have a Synergistic Bacteriostatic Effect against Vibrio Species by Inhibiting Iron Uptake.
Int J Mol Sci, 22, 2021
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4X3Z
 | | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with XMP and NAD | | 分子名称: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Osipiuk, J, MALTSEVA, N, KIM, Y, Mulligan, R, MAKOWSKA-GRZYSKA, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-12-02 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with XMP and NAD
to be published
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1AOY
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5BRD
 | | Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor BENZ-GlcN | | 分子名称: | 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose, Glucokinase 1, putative | | 著者 | D'Antonio, E.L, Perry, K, Deinema, M.S, Kearns, S.P, Frey, T.A. | | 登録日 | 2015-05-30 | | 公開日 | 2015-06-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
Mol.Biochem.Parasitol., 204, 2016
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7W9W
 | | 2.02 angstrom cryo-EM structure of the pump-like channelrhodopsin ChRmine | | 分子名称: | CHOLESTEROL, ChRmine, PALMITIC ACID, ... | | 著者 | Kishi, K.E, Kim, Y, Fukuda, M, Yamashita, K, Deisseroth, K, Kato, H.E. | | 登録日 | 2021-12-11 | | 公開日 | 2022-02-02 | | 最終更新日 | 2022-03-09 | | 実験手法 | ELECTRON MICROSCOPY (2 Å) | | 主引用文献 | Structural basis for channel conduction in the pump-like channelrhodopsin ChRmine.
Cell, 185, 2022
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4HL0
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8RW3
 | | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine | | 分子名称: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ... | | 著者 | Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H. | | 登録日 | 2024-02-02 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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4X6I
 | | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. | | 分子名称: | 2-amino-4-bromo-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide, Cathepsin K, SULFATE ION | | 著者 | Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M. | | 登録日 | 2014-12-08 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.
J.Med.Chem., 58, 2015
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8Q89
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8Q8B
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8Q8A
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5BO4
 | | Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals | | 分子名称: | Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2 | | 著者 | Gadd, M.S, Bulatov, E, Ciulli, A. | | 登録日 | 2015-05-27 | | 公開日 | 2015-07-08 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases.
Plos One, 10, 2015
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4X28
 | | Crystal structure of the ChsE4-ChsE5 complex from Mycobacterium tuberculosis | | 分子名称: | Acyl-CoA dehydrogenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE | | 著者 | Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. | | 登録日 | 2014-11-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Unraveling Cholesterol Catabolism in Mycobacterium tuberculosis: ChsE4-ChsE5 alpha 2 beta 2 Acyl-CoA Dehydrogenase Initiates beta-Oxidation of 3-Oxo-cholest-4-en-26-oyl CoA.
Acs Infect Dis., 1, 2015
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8PDZ
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7TDD
 | | AtTPC1 D454N-EDTA state II | | 分子名称: | Two pore calcium channel protein 1 | | 著者 | Dickinson, M.S, Stroud, R.M. | | 登録日 | 2021-12-30 | | 公開日 | 2022-10-12 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Molecular basis of multistep voltage activation in plant two-pore channel 1.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7TDE
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4X8M
 | | Crystal structure of E. coli Adenylate kinase Y171W mutant | | 分子名称: | Adenylate kinase | | 著者 | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | | 登録日 | 2014-12-10 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state.
Nat Commun, 6, 2015
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1B6Y
 | | 3,N4-ETHENO-2'-DEOXYCYTIDINE OPPOSITE ADENINE IN AN 11-MER DUPLEX, SOLUTION STRUCTURE FROM NMR AND MOLECULAR DYNAMICS, 2 STRUCTURES | | 分子名称: | 5'-D(*CP*GP*TP*AP*CP*(EDC)P*CP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*GP*AP*GP*TP*AP*CP*G)-3' | | 著者 | Korobka, A, Cullinan, D, Cosman, M, Grollman, A.P, Patel, D.J, Eisenberg, M, De Los Santos, C. | | 登録日 | 1999-01-19 | | 公開日 | 1999-01-27 | | 最終更新日 | 2024-04-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of an oligodeoxynucleotide duplex containing the exocyclic lesion 3,N4-etheno-2'-deoxycytidine opposite 2'-deoxyadenosine, determined by NMR spectroscopy and restrained molecular dynamics.
Biochemistry, 35, 1996
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