6N4Q
 
 | | CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2 | | 分子名称: | Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ... | | 著者 | Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M. | | 登録日 | 2018-11-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
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8GJ8
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8FZA
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6PX4
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6N8I
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7BBC
 | | Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose | | 分子名称: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | 著者 | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | 登録日 | 2020-12-17 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-10-09 | | 実験手法 | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | | 主引用文献 | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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7Q3N
 | | Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ... | | 著者 | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | | 登録日 | 2021-10-28 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (7.4 Å) | | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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6X3L
 | | Sortilin-Progranulin Interaction With Compound 2 | | 分子名称: | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Parthasarathy, G, Soisson, S.M. | | 登録日 | 2020-05-21 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
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8GTG
 | | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-I-152 by XFEL | | 分子名称: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1 | | 著者 | Cho, H.S, Kim, H. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
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6MT4
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6Q4E
 | | CDK2 in complex with FragLite33 | | 分子名称: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | | 登録日 | 2018-12-05 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4K
 | | CDK2 in complex with FragLite38 | | 分子名称: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | | 登録日 | 2018-12-05 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6MS9
 | | GDP-bound KRAS P34R mutant | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Bera, A.K, Westover, K.D. | | 登録日 | 2018-10-16 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
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8TC5
 | | Cryo-EM Structure of Spike Glycoprotein from Civet Coronavirus SZ3 in Closed Conformation | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bostina, M, Hills, F.R, Eruera, A. | | 登録日 | 2023-06-29 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (2.11 Å) | | 主引用文献 | Variation in structural motifs within SARS-related coronavirus spike proteins.
Plos Pathog., 20, 2024
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6WG5
 | | Human ectonucleoside triphosphate diphosphohydrolase 4 (ENTPD4, NTPDase 4) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleoside triphosphate diphosphohydrolase 4 | | 著者 | Gorelik, A, Labriola, J.M, Illes, K, Nagar, B. | | 登録日 | 2020-04-04 | | 公開日 | 2020-08-12 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of the nucleotide-metabolizing enzyme NTPDase4.
Protein Sci., 29, 2020
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6MUM
 | | Murine PI3K delta kinsae domain - cpd 3 | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone | | 著者 | Fischmann, T.O. | | 登録日 | 2018-10-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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8GTI
 | | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 by XFEL | | 分子名称: | 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1, ... | | 著者 | Cho, H.S, Kim, H. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
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8GSM
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8GTM
 | | Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C203 by XFEL | | 分子名称: | 7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1 | | 著者 | Cho, H.S, Kim, H. | | 登録日 | 2022-09-08 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023
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7BIR
 | | Inhibitor of MDM2-p53 Interaction | | 分子名称: | 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | 著者 | Williams, P.A. | | 登録日 | 2021-01-13 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
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6Z1E
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6NP6
 | | Crystal structure of the sensor domain of the transcriptional regulator HcpR from Porphyromonas Gingivalis | | 分子名称: | Crp/Fnr family transcriptional regulator, GLYCEROL | | 著者 | Musayev, F.N, Belvin, B.R, Escalante, C.R, Turner, J, Scarsdale, J.N, Lewis, J.P. | | 登録日 | 2019-01-17 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Nitrosative Stress Sensing in Porphyromonas gingivalis: Structure and Mechanisms of the Heme Binding Transcriptional Regulator HcpR.
Acta Crystallogr D Struct Biol, 75, 2019
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6NPL
 | | Cryo-EM structure of NKCC1 | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, POTASSIUM ION, ... | | 著者 | Feng, L, Liao, M.F, Orlando, B, Zhang, J.R. | | 登録日 | 2019-01-17 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure and mechanism of the cation-chloride cotransporter NKCC1.
Nature, 572, 2019
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6NPH
 | | Structure of NKCC1 TM domain | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, POTASSIUM ION, ... | | 著者 | Feng, L, Liao, M.F, Orlando, B, Zhang, J.R. | | 登録日 | 2019-01-17 | | 公開日 | 2019-07-31 | | 最終更新日 | 2020-01-29 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure and mechanism of the cation-chloride cotransporter NKCC1.
Nature, 572, 2019
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6YVW
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with monocyclic BB-328 | | 分子名称: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid, Egl nine homolog 1, FE (III) ION, ... | | 著者 | Chowdhury, R, Banerji, B, Schofield, C.J. | | 登録日 | 2020-04-28 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
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