9CTX
 
 | | X-ray crystal structure of multi-drug resistant HIV-1 protease (P51) in complex with Darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Protease | | 著者 | Hayashi, H, Yedidi, R, Bulut, H, Das, D, Mitsuya, H. | | 登録日 | 2024-07-25 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Secondary amino-acid substitutions contribute to the emergence of HIV protease inhibitor resistance as directly as primary amino-acid substitutions.
To Be Published
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9BFY
 | | Tri-complex of Compound-12, KRAS G12C, and CypA | | 分子名称: | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-16-oxa-10,22,28-triazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),2(29),3,5,20,23,26-heptaen-8-yl]amino}-3-methyl-1-oxobutan-2-yl]-N-methyl-1-propanoylpyrrolidine-3-carboxamide (non-preferred name), CHLORIDE ION, GTPase KRas, ... | | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | 登録日 | 2024-04-18 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Tri-complex of Compound-12, KRAS G12C, and CypA
To be published
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9C0B
 | | E.coli GroEL + PBZ1587 inhibitor | | 分子名称: | 60 kDa chaperonin, N-(2-{4-[4-(aminomethyl)benzene-1-sulfonamido]phenyl}-1,3-benzoxazol-5-yl)-5-chlorothiophene-2-sulfonamide | | 著者 | Watson, E.R, Lander, G.C. | | 登録日 | 2024-05-25 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
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9BXR
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9BQV
 | | DdmD dimer apoprotein | | 分子名称: | Helicase/UvrB N-terminal domain-containing protein | | 著者 | Bravo, J.P.K, Taylor, D.W. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Plasmid targeting and destruction by the DdmDE bacterial defence system.
Nature, 630, 2024
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9EZX
 | | Vibrio cholerae DdmD apo complex | | 分子名称: | Helicase/UvrB N-terminal domain-containing protein | | 著者 | Loeff, L, Jinek, M. | | 登録日 | 2024-04-14 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | | 主引用文献 | Molecular mechanism of plasmid elimination by the DdmDE defense system.
Science, 385, 2024
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4UX8
 | | RET recognition of GDNF-GFRalpha1 ligand by a composite binding site promotes membrane-proximal self-association | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF FAMILY RECEPTOR ALPHA-1, ... | | 著者 | Goodman, K, Kjaer, S, Beuron, F, Knowles, P, Nawrotek, A, Burns, E, Purkiss, A, George, R, Santoro, M, Morris, E.P, McDonald, N.Q. | | 登録日 | 2014-08-19 | | 公開日 | 2014-10-01 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (24 Å) | | 主引用文献 | Ret Recognition of Gdnf-Gfralpha1 Ligand by a Composite Binding Site Promotes Membrane-Proximal Self-Association.
Cell Rep., 8, 2014
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9B57
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9D9K
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9C1Q
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | | 分子名称: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ... | | 著者 | kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | 登録日 | 2024-05-29 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
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9IWQ
 | | Salmonella enterica serovar Typhimurium FliC(G426A)delta(204-292) forming the L-type straight filament | | 分子名称: | Flagellin | | 著者 | Waraich, K, Makino, F, Miyata, T, Kinoshita, M, Minamino, T, Namba, K. | | 登録日 | 2024-07-25 | | 公開日 | 2024-08-07 | | 実験手法 | ELECTRON MICROSCOPY (2.08 Å) | | 主引用文献 | Salmonella enterica serovar Typhimurium FliC(G426A)delta(204-292) forming the L-type straight filament
To Be Published
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9C61
 | | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 | | 分子名称: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION | | 著者 | Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | 登録日 | 2024-06-07 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
To be published
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9F3Z
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9CYP
 | | Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K) | | 分子名称: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | 登録日 | 2024-08-02 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
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9EUC
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23b | | 分子名称: | (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9FEA
 | | Crystal Structure of reduced NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NAD+ | | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | 登録日 | 2024-05-17 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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7APH
 | | Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin. | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-10-16 | | 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 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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9AXE
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9EUD
 | | The FK1 domain of FKBP51 in complex with SAFit-analog 23c | | 分子名称: | (1-propan-2-ylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Buffa, V, Hausch, F. | | 登録日 | 2024-03-27 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (2.022 Å) | | 主引用文献 | 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile.
Chemmedchem, 19, 2024
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9FZ4
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9C47
 | | TRRAP module of the human TIP60 complex | | 分子名称: | E1A-binding protein p400, Transformation/transcription domain-associated protein | | 著者 | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | 登録日 | 2024-06-03 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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9B5K
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4V2Q
 | | Ironing out their differences: Dissecting the structural determinants of a phenylalanine aminomutase and ammonia lyase | | 分子名称: | PHENYLALANINE AMMONIA-LYASE | | 著者 | Heberling, M, Masman, M, Bartsch, S, Wybenga, G.G, Dijkstra, B.W, Marrink, S, Janssen, D. | | 登録日 | 2014-10-14 | | 公開日 | 2014-12-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Ironing Out Their Differences: Dissecting the Structural Determinants of a Phenylalanine Aminomutase and Ammonia Lyase.
Acs Chem.Biol., 10, 2015
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9B1V
 | | Crystal structure of PqqT with PQQ and Gd3+ bound | | 分子名称: | 1,2-ETHANEDIOL, GADOLINIUM ION, PYRROLOQUINOLINE QUINONE, ... | | 著者 | Boggs, G.D, Bruchs, A.T, Thompson, P.J, Olshansky, L, Bridwell-Rabb, J. | | 登録日 | 2024-03-13 | | 公開日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-driven development of a biomimetic rare earth artificial metalloprotein.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9FIH
 | | Crystal Structure of NuoEF variant P228R(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | 登録日 | 2024-05-29 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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