1FBZ
 
 | | Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity | | 分子名称: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID | | 著者 | Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T. | | 登録日 | 2000-07-17 | | 公開日 | 2000-08-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.
Proc.Natl.Acad.Sci.Usa, 97, 2000
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6MJW
 | | human cGAS catalytic domain bound with the inhibitor G150 | | 分子名称: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | 登録日 | 2018-09-23 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.405 Å) | | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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7OA6
 | | Pseudo-atomic model for Hsp26 residues 63 to 214. Please be advised that the target map is not of sufficient resolution to unambiguously position backbone or side chain atoms. This model represents a likely fit. | | 分子名称: | Heat shock protein 26 | | 著者 | Muehlhofer, M, Peters, C, Kriehuber, T, Kreuzeder, M, Kazman, P, Rodina, N, Reif, B, Haslbeck, M, Weinkauf, S, Buchner, J. | | 登録日 | 2021-04-19 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (7.8 Å) | | 主引用文献 | Phosphorylation activates the yeast small heat shock protein Hsp26 by weakening domain contacts in the oligomer ensemble.
Nat Commun, 12, 2021
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6AX5
 | | RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1. | | 分子名称: | SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 | | 著者 | Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V. | | 登録日 | 2017-09-06 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication.
Nat Commun, 12, 2021
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6YI7
 | | Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor | | 分子名称: | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family) | | 著者 | Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M. | | 登録日 | 2020-04-01 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity.
Acs Infect Dis., 7, 2021
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6MJX
 | | human cGAS catalytic domain bound with cGAMP | | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | 登録日 | 2018-09-23 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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6MJU
 | | human cGAS catalytic domain bound with the inhibitor G108 | | 分子名称: | 1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | 登録日 | 2018-09-22 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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6PQ1
 | | Structure of the Fremyella diplosiphon OCP1 | | 分子名称: | Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione | | 著者 | Sutter, M, Dominguez-Martin, M.A, Bao, H, Kerfeld, C.A. | | 登録日 | 2019-07-08 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Comparative ultrafast spectroscopy and structural analysis of OCP1 and OCP2 from Tolypothrix.
Biochim Biophys Acta Bioenerg, 1861, 2020
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7OB3
 | | hSTING in complex with 3',3'-c-di-araAMP | | 分子名称: | 3',3'-c-di-araAMP, Stimulator of interferon genes protein | | 著者 | Smola, M, Boura, E. | | 登録日 | 2021-04-20 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Enzymatic Synthesis of 3'-5', 3'-5' Cyclic Dinucleotides, Their Binding Properties to the Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations
Biochemistry, 2021
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8JHK
 | | Cryo-EM structure of the DOCK5/ELMO1 complex, focused on one protomer | | 分子名称: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1 | | 著者 | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | | 登録日 | 2023-05-23 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (4.76 Å) | | 主引用文献 | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 300, 2024
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6Y91
 | | Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH | | 分子名称: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | | 登録日 | 2020-03-06 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
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6VN2
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 18 | | 分子名称: | 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7 | | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-29 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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6VN3
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | | 分子名称: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-29 | | 最終更新日 | 2020-06-17 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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5MBA
 | | BINDING MODE OF AZIDE TO FERRIC APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.9 ANGSTROMS RESOLUTION | | 分子名称: | AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | | 登録日 | 1991-01-14 | | 公開日 | 1992-07-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Binding mode of azide to ferric Aplysia limacina myoglobin. Crystallographic analysis at 1.9 A resolution.
J.Mol.Recog., 4, 1991
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6CAE
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with NOSO-95179 antibiotic and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution | | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | 著者 | Pantel, L, Florin, T, Dobosz-Bartoszek, M, Racine, E, Sarciaux, M, Serri, M, Houard, J, Campagne, J.M, Marcia de Figueiredo, R, Midrier, C, Gaudriault, S, Givaudan, A, Lanois, A, Forst, S, Aumelas, A, Cotteaux-Lautard, C, Bolla, J.M, Vingsbo Lundberg, C, Huseby, D, Hughes, D, Villain-Guillot, P, Mankin, A.S, Polikanov, Y.S, Gualtieri, M. | | 登録日 | 2018-01-30 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Odilorhabdins, Antibacterial Agents that Cause Miscoding by Binding at a New Ribosomal Site.
Mol. Cell, 70, 2018
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6VN6
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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7OHE
 | | A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine | | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*TP*CP*GP*AP*CP*GP*CP*G)-3') | | 著者 | Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M. | | 登録日 | 2021-05-10 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
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7OHM
 | | A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine | | 分子名称: | DNA (5'-D(*CP*GP*AP*(DH)P*GP*TP*CP*G)-3') | | 著者 | Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M. | | 登録日 | 2021-05-11 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
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7OHJ
 | | A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine | | 分子名称: | DNA (5'-D(*CP*GP*AP*CP*GP*TP*CP*G)-3') | | 著者 | Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M. | | 登録日 | 2021-05-11 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
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7OGV
 | | A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine | | 分子名称: | DNA (5'-D(*(P*GP*CP*GP*TP*(DH)P*GP*AP*CP*GP*CP*G-3') | | 著者 | Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M. | | 登録日 | 2021-05-07 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
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6VN5
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 7 | | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-29 | | 最終更新日 | 2020-06-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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7OWG
 | | human DEPTOR in a complex with mutant human mTORC1 A1459P | | 分子名称: | DEP domain-containing mTOR-interacting protein, Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, ... | | 著者 | Heimhalt, M, Berndt, A, Wagstaff, J, Anandapadamanaban, M, Perisic, O, Maslen, S, McLaughlin, S, Yu, W.-H, Masson, G.R, Boland, A, Ni, X, Yamashita, K, Murshudov, G.N, Skehel, M, Freund, S.M, Williams, R.L. | | 登録日 | 2021-06-18 | | 公開日 | 2021-09-08 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Bipartite binding and partial inhibition links DEPTOR and mTOR in a mutually antagonistic embrace.
Elife, 10, 2021
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7ONS
 | | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | | 分子名称: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | | 登録日 | 2021-05-25 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
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7OX8
 | | Target-bound SpCas9 complex with TRAC full RNA guide | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | | 登録日 | 2021-06-22 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021
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7OXA
 | | Target-bound SpCas9 complex with AAVS1 chimeric RNA-DNA guide | | 分子名称: | AAVS1 non-target DNA strand, AAVS1 target DNA strand, CRISPR-associated endonuclease Cas9/Csn1, ... | | 著者 | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | | 登録日 | 2021-06-22 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021
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