6HAK
 
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with a double stranded RNA represents the RT transcription initiation complex prior to nucleotide incorporation | | 分子名称: | Gag-Pol polyprotein, MAGNESIUM ION, RNA (5'-R(P*AP*GP*UP*GP*GP*CP*GP*GP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), ... | | 著者 | Das, K, Martinez, S.E, Arnold, E. | | 登録日 | 2018-08-07 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.95 Å) | | 主引用文献 | Structure of HIV-1 RT/dsRNA initiation complex prior to nucleotide incorporation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4X7I
 | | Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | | 分子名称: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | 著者 | Timm, D.E. | | 登録日 | 2014-12-09 | | 公開日 | 2014-12-24 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans.
J.Neurosci., 35, 2015
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6Z9F
 | | 1.56 A structure of human apoferritin obtained from data subset of Titan Mono-BCOR microscope | | 分子名称: | Ferritin heavy chain, SODIUM ION | | 著者 | Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H. | | 登録日 | 2020-06-03 | | 公開日 | 2020-06-24 | | 最終更新日 | 2021-02-10 | | 実験手法 | ELECTRON MICROSCOPY (1.56 Å) | | 主引用文献 | Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
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5M8G
 | | Tubulin-MTD265 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | 著者 | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | 登録日 | 2016-10-28 | | 公開日 | 2017-02-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.147 Å) | | 主引用文献 | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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8VQ4
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-125A. | | 分子名称: | (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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4Y8S
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4Y8I
 | | Yeast 20S proteasome in complex with Ac-PLL-ep | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PLL-ep, CHLORIDE ION, ... | | 著者 | Huber, E.M, Groll, M. | | 登録日 | 2015-02-16 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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4YA9
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8VQ3
 | | CDK2-CyclinE1 in complex with allosteric inhibitor I-198. | | 分子名称: | (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B. | | 登録日 | 2024-01-17 | | 公開日 | 2024-01-31 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
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6X3Z
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | | 著者 | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | | 登録日 | 2020-05-21 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
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6ZJA
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6ZL7
 | | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, MAGNESIUM ION, PMGL2 | | 著者 | Goryaynova, D.A, Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | | 登録日 | 2020-06-30 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY
To Be Published
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8PDI
 | | The phosphatase and C2 domains of SHIP1 with covalent Z1763271112 | | 分子名称: | (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | 著者 | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | | 登録日 | 2023-06-12 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
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6GQT
 | | KRAS-169 Q61H GPPNHP + PPIN-2 | | 分子名称: | CITRIC ACID, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | 登録日 | 2018-06-08 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4YA7
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8ABW
 | | Crystal structure of SpLdpA in complex with threo-DGPD | | 分子名称: | (1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, (1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol, SULFATE ION, ... | | 著者 | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | | 登録日 | 2022-07-04 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7RS5
 | | Cryo-EM structure of Kip3 (AMPPNP) bound to Taxol-Stabilized Microtubules | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Hernandez-Lopez, R.A, Leschziner, A.E, Arellano-Santoyo, H, Pellman, D, Stokasimov, E, Wang, R.Y.-R. | | 登録日 | 2021-08-10 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Multimodal tubulin binding by the yeast kinesin-8, Kip3, underlies its motility and depolymerization
Biorxiv, 2021
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1Y1K
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 T58A mutant | | 分子名称: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | 著者 | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | 登録日 | 2004-11-18 | | 公開日 | 2005-05-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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7QZV
 | | Hm-AMP2 | | 分子名称: | Hm-AMP2 | | 著者 | Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N. | | 登録日 | 2022-02-01 | | 公開日 | 2022-11-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Non-toxic antimicrobial peptide Hm-AMP2 from leech metagenome proteins identified by the gradient-boosting approach
Materials, 224, 2022
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1Y3F
 | | Crystal structure of the complex of subtilisin BPN' with chymotrypsin inhibitor 2 F69A mutant | | 分子名称: | CALCIUM ION, CITRIC ACID, POLYETHYLENE GLYCOL (N=34), ... | | 著者 | Radisky, E.S, Lu, C.J, Kwan, G, Koshland Jr, D.E. | | 登録日 | 2004-11-24 | | 公開日 | 2005-05-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Role of the intramolecular hydrogen bond network in the inhibitory power of chymotrypsin inhibitor 2
Biochemistry, 44, 2005
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6Z6U
 | | 1.25 A structure of human apoferritin obtained from Titan Mono-BCOR microscope | | 分子名称: | Ferritin heavy chain, MAGNESIUM ION, SODIUM ION | | 著者 | Yip, K.M, Fischer, N, Paknia, E, Chari, A, Stark, H. | | 登録日 | 2020-05-29 | | 公開日 | 2020-06-24 | | 最終更新日 | 2021-02-10 | | 実験手法 | ELECTRON MICROSCOPY (1.25 Å) | | 主引用文献 | Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
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5LV6
 | | N-terminal motif dimerization of EGFR transmembrane domain in bicellar environment | | 分子名称: | Epidermal growth factor receptor | | 著者 | Bragin, P, Bocharov, E, Mineev, K, Bocharova, O, Arseniev, A. | | 登録日 | 2016-09-12 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Conformation of the Epidermal Growth Factor Receptor Transmembrane Domain Dimer Dynamically Adapts to the Local Membrane Environment.
Biochemistry, 56, 2017
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8PDJ
 | | The phosphatase and C2 domains of SHIP1 with covalent Z56948267 | | 分子名称: | 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | 著者 | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | | 登録日 | 2023-06-12 | | 公開日 | 2023-06-28 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
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6GJ4
 | | Tubulin-6j complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate, CALCIUM ION, ... | | 著者 | Brindisi, M, Ulivieri, C, Alfano, G, Gemma, S, Balaguer, F.d.A, Khan, T, Grillo, A, Chemi, G, Menchon, G, Prota, A.E, Olieric, N, Agell, D.L, Barasoain, I, Diaz, J.F, Nebbioso, A, Conte, M.R, Lopresti, L, Magnano, S, Amet, R, Kinsella, P, Zisterer, D.M, Ibrahim, O, O'Sullivan, J, Morbidelli, L, Spaccapelo, R, Baldari, C, Butini, S, Novellino, E, Campiani, G, Altucci, L, Steinmetz, M.O, Brogi, S. | | 登録日 | 2018-05-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents.
Eur J Med Chem, 162, 2018
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6X3V
 | | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus etomidate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Etomidate, ... | | 著者 | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | | 登録日 | 2020-05-21 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Shared structural mechanisms of general anaesthetics and benzodiazepines.
Nature, 585, 2020
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