6MSR
 
 | | Crystal structure of pRO-2.5 | | 分子名称: | pRO-2.5 | | 著者 | Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D. | | 登録日 | 2018-10-17 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
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5LUE
 | | Minor form of the recombinant cytotoxin-1 from N. oxiana | | 分子名称: | VC-1=CYTOTOXIN | | 著者 | Dubovskii, P.V, Dubinnyi, M.A, Shulepko, M.A, Lyukmanova, E.N, Dolgikh, D.A, Kirpichnikov, M.P, Efremov, R.G. | | 登録日 | 2016-09-08 | | 公開日 | 2017-09-20 | | 最終更新日 | 2019-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and Dynamic "Portraits" of Recombinant and Native Cytotoxin I from Naja oxiana: How Close Are They?
Biochemistry, 56, 2017
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5LLB
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8BZL
 | | Human 20S Proteasome in complex with peptide activator peptide BLM42 | | 分子名称: | ARG-SER-TYR-TYR-SER, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Henneberg, F, Chari, A, Jankowska, E, Witkowska, J. | | 登録日 | 2022-12-15 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Peptidic, Blm10-based activators of human 20S proteasome in vitro and in cellulo enhance degradation of proteins connected with neurodegeneration.
To Be Published
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8C1M
 | | Aurora A kinase in complex with TPX2-inhibitor 2 | | 分子名称: | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 67, 2024
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7PX1
 | | Conotoxin from Conus mucronatus | | 分子名称: | CADMIUM ION, Conus mucronatus, IODIDE ION | | 著者 | Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P. | | 登録日 | 2021-10-07 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
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8QMO
 | | Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | | 著者 | Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J. | | 登録日 | 2023-09-24 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
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6PKF
 | | Myocilin OLF mutant N428E/D478K | | 分子名称: | GLYCEROL, Myocilin | | 著者 | Lieberman, R.L, Hill, S.E. | | 登録日 | 2019-06-29 | | 公開日 | 2019-09-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.484 Å) | | 主引用文献 | Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices.
Acta Crystallogr D Struct Biol, 75, 2019
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6GUA
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6GXD
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD752MS after reaction initiation | | 分子名称: | CHLORIDE ION, fluoroacetate dehalogenase, fluoroacetic acid | | 著者 | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | | 登録日 | 2018-06-27 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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5N0G
 | | Crystal Structure of CobH T85A (precorrin-8x methyl mutase) complexed with C5 allyl-HBA | | 分子名称: | 3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase | | 著者 | Nemoto-Smith, E.H, Lawrence, A.D, Brown, D.G, Warren, M.J. | | 登録日 | 2017-02-02 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Novel cobalamin analogues and their application in the trafficking of cobalamin in bacteria, worms and plants
To Be Published
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6T0L
 | | Crystal structure of CYP124 in complex with inhibitor compound 5' | | 分子名称: | CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ... | | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | 登録日 | 2019-10-03 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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8R37
 | | Klebsiella pneumoniae fosfomycin-resistance protein (FosAKP) | | 分子名称: | FOSFOMYCIN, FosA family fosfomycin resistance glutathione transferase, L(+)-TARTARIC ACID, ... | | 著者 | Papageorgiou, A.C, Varotsou, C, Labrou, N.E. | | 登録日 | 2023-11-08 | | 公開日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Structural Studies of Klebsiella pneumoniae Fosfomycin-Resistance Protein and Its Application for the Development of an Optical Biosensor for Fosfomycin Determination.
Int J Mol Sci, 25, 2023
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5KDS
 | | ZmpB metallopeptidase in complex with an O-glycopeptide (a2,6-sialylated core-3 pentapeptide). | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B. | | 登録日 | 2016-06-08 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N13
 | | Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form | | 分子名称: | Bromodomain-containing factor 1, GLYCEROL | | 著者 | Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | 登録日 | 2017-02-04 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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5N17
 | | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3) | | 分子名称: | (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION | | 著者 | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | 登録日 | 2017-02-05 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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8DZK
 | | Dbr1 in complex with 5-mer cleavage product | | 分子名称: | FE (II) ION, RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3'), RNA lariat debranching enzyme, ... | | 著者 | Clark, N.E, Taylor, A.B. | | 登録日 | 2022-08-08 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product.
Biochemistry, 61, 2022
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6MP1
 | | Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with the mutant TRP1-K8 peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TRP1-K8 peptide, Beta-2-microglobulin,H-2 class I histocompatibility antigen, ... | | 著者 | Clancy-Thompson, E, Devlin, C.A, Birnbaum, M.E, Dougan, S.K. | | 登録日 | 2018-10-05 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.211 Å) | | 主引用文献 | Altered Binding of Tumor Antigenic Peptides to MHC Class I Affects CD8+T Cell-Effector Responses.
Cancer Immunol Res, 6, 2018
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6ZQ7
 | | Crystal structure of Chaetomium thermophilum Glycerol Kinase in I222 space group | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Glycerol kinase-like protein | | 著者 | Wilk, P, Wator, E, Grudnik, P. | | 登録日 | 2020-07-09 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.421 Å) | | 主引用文献 | Structural Characterization of Glycerol Kinase from the Thermophilic Fungus Chaetomium thermophilum .
Int J Mol Sci, 21, 2020
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8QN0
 | | Soluble epoxide hydrolase in complex with RK3 | | 分子名称: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | 著者 | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-09-25 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8QMZ
 | | Soluble epoxide hydrolase in complex with RK4 | | 分子名称: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | 著者 | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-09-25 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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8Q8K
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6WH1
 | | Structure of the complex of human DNA ligase III-alpha and XRCC1 BRCT domains | | 分子名称: | DNA ligase 3 alpha, X-ray repair cross complementing protein 1 variant | | 著者 | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | | 登録日 | 2020-04-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex.
Nucleic Acids Res., 49, 2021
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8V3R
 | | Structure of CCP5 class2 | | 分子名称: | Cytosolic carboxypeptidase-like protein 5, GLUTAMIC ACID, ZINC ION, ... | | 著者 | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | 登録日 | 2023-11-28 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation.
Nature, 631, 2024
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6SP1
 | | KEAP1 IN COMPLEX WITH COMPOUND 6 | | 分子名称: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | 著者 | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | 登録日 | 2019-08-30 | | 公開日 | 2020-06-03 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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