7B3O
 
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5O6T
 | | BIRC4 RING in complex with dimeric ubiquitin variant | | 分子名称: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, Polyubiquitin-B, ... | | 著者 | Gabrielsen, M, Buetow, L, Huang, D.T. | | 登録日 | 2017-06-07 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
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5OAT
 | | PINK1 structure | | 分子名称: | MAGNESIUM ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein | | 著者 | Kumar, A, Tamjar, J, Woodroof, H.I, Raimi, O.G, Waddell, A.Y, Peggie, M, Muqit, M.M.K, van Aalten, D.M.F. | | 登録日 | 2017-06-23 | | 公開日 | 2017-10-11 | | 最終更新日 | 2017-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Structure of PINK1 and mechanisms of Parkinson's disease associated mutations.
Elife, 6, 2017
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5O7V
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6TRR
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7AZN
 | | Structure of mouse AsterC (GramD1c) with a new cholesterol-derived compound | | 分子名称: | 20alpha-hydroxy-20-(5-methylhexyl)cholesterol, ETHANOL, GLYCEROL, ... | | 著者 | Romartinez-Alonso, B, Sirvydis, K, Kim, Y, Xiao, X, Jung, M, Tontonoz, P, Schwabe, J. | | 登録日 | 2020-11-16 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Selective Aster inhibitors distinguish vesicular and nonvesicular sterol transport mechanisms.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7AIF
 | | HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR WITH BOUND MANGANESE | | 分子名称: | DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ... | | 著者 | Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K. | | 登録日 | 2020-09-27 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
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5OCY
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7AK1
 | | Human MALT1(329-729) in complex with a chromane urea containing inhibitor | | 分子名称: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea, MAGNESIUM ION, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | | 著者 | Renatus, M. | | 登録日 | 2020-09-29 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.507 Å) | | 主引用文献 | Discovery of Potent, Highly Selective, and In Vivo Efficacious, Allosteric MALT1 Inhibitors by Iterative Scaffold Morphing.
J.Med.Chem., 63, 2020
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6TQW
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5O8Z
 | | Conformational dynamism for DNA interaction in Salmonella typhimurium RcsB response regulator. | | 分子名称: | BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Transcriptional regulatory protein RcsB | | 著者 | Casino, P, Marina, A, Miguel-Romero, L, Huesa, J. | | 登録日 | 2017-06-14 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conformational dynamism for DNA interaction in the Salmonella RcsB response regulator.
Nucleic Acids Res., 46, 2018
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5O9U
 | | HsNMT1 in complex with CoA and Myristoylated-GCSVSKKK octapeptide | | 分子名称: | COENZYME A, Calcineurin B-like protein 4, GLYCEROL, ... | | 著者 | Dian, C, Meinnel, T, Giglione, C. | | 登録日 | 2017-06-20 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
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6THZ
 | | IRAK4 IN COMPLEX WITH inhibitor | | 分子名称: | 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | | 著者 | Xue, Y, Aagaard, A, Degorce, S.L. | | 登録日 | 2019-11-21 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
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6TRV
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7AKG
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5OAL
 | | Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, G162E) | | 分子名称: | ARGININE, STRYCHNINE, Soluble acetylcholine receptor | | 著者 | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | 登録日 | 2017-06-22 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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6TQ5
 | | Alcohol dehydrogenase from Candida magnoliae DSMZ 70638 (ADHA): complex with NADP+ | | 分子名称: | Enzyme subunit, GLYCEROL, ISOPROPYL ALCOHOL, ... | | 著者 | Rovida, S, Aalbers, F.S, Fraaije, M.W, Mattevi, A. | | 登録日 | 2019-12-16 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Approaching boiling point stability of an alcohol dehydrogenase through computationally-guided enzyme engineering.
Elife, 9, 2020
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5OFE
 | | Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE | | 著者 | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | | 登録日 | 2017-07-10 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
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6TSE
 | | Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | | 分子名称: | 1-methylindole-2,3-dione, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | 著者 | Brear, P, Wagstaff, J, Hyvonen, M. | | 登録日 | 2019-12-20 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Crystal Structure of 1-methylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C
To Be Published
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7AQ0
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A/S550A | | 分子名称: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | | 登録日 | 2020-10-20 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | | 主引用文献 | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
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7AKX
 | | Crystal structure of the viral rhodopsin OLPVR1 in P1 space group | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | | 著者 | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | | 登録日 | 2020-10-02 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
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7AL4
 | | Ancestral Flavin-containing monooxygenase (FMO) 1 (mammalian) | | 分子名称: | Ancestral Flavin-containing monooxygenase 1 (mammalian), CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Nicoll, C.R, Mattevi, A. | | 登録日 | 2020-10-05 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties.
J.Biol.Chem., 296, 2020
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5OFU
 | | Crystal structure of Leishmania major fructose-1,6-bisphosphatase in T-state. | | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | | 著者 | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2017-07-11 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
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7ALH
 | | Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup C2). | | 分子名称: | 3C-like proteinase | | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Heroux, A, Storici, P. | | 登録日 | 2020-10-06 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
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5OCS
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