7DH5
 
 | | Dog beta3 adrenergic receptor bound to mirabegron in complex with a miniGs heterotrimer | | 分子名称: | 2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide, Beta-3 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Shihoya, W, Yamashita, K, Nureki, O. | | 登録日 | 2020-11-12 | | 公開日 | 2021-08-04 | | 最終更新日 | 2021-08-18 | | 実験手法 | ELECTRON MICROSCOPY (3.16 Å) | | 主引用文献 | Cryo-EM structure of the beta 3-adrenergic receptor reveals the molecular basis of subtype selectivity.
Mol.Cell, 81, 2021
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7DBM
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V:DNA:dGTP ternary complex | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | | 著者 | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | 登録日 | 2020-10-21 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
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6LN4
 | | Estrogen-related receptor beta(ERR2) in complex with PGC1a-2a | | 分子名称: | 10-mer from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Steroid hormone receptor ERR2 | | 著者 | Yao, B.Q, Li, Y. | | 登録日 | 2019-12-28 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
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7VD4
 | | Crystal structure of BPTF-BRD with ligand TP248 bound | | 分子名称: | 6-[4-[3-(dimethylamino)propoxy]phenyl]-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF | | 著者 | Lu, T, Lu, H.B. | | 登録日 | 2021-09-06 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.85659146 Å) | | 主引用文献 | Discovery of a highly potent CECR2 bromodomain inhibitor with 7H-pyrrolo[2,3-d] pyrimidine scaffold.
Bioorg.Chem., 123, 2022
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6LNL
 | | ASFV core shell protein p15 | | 分子名称: | 60 kDa polyprotein | | 著者 | Guo, F, Shi, Y, Peng, G. | | 登録日 | 2019-12-30 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9286 Å) | | 主引用文献 | The structural basis of African swine fever virus core shell protein p15 binding to DNA.
Faseb J., 35, 2021
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6M2U
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6LSB
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5MAH
 | | Crystal structure of MELK in complex with an inhibitor | | 分子名称: | CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | 登録日 | 2016-11-03 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The target landscape of clinical kinase drugs.
Science, 358, 2017
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7DPQ
 | | HIV-1 Protease D30N mutant | | 分子名称: | Protease | | 著者 | Bihani, S.C, Hosur, M.V. | | 登録日 | 2020-12-21 | | 公開日 | 2021-11-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease.
J.Biomol.Struct.Dyn., 2021
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7DOZ
 | | HIV-1 Protease D30N mutant in complex with Nelfinavir | | 分子名称: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | | 著者 | Bihani, S.C, Hosur, M.V. | | 登録日 | 2020-12-17 | | 公開日 | 2021-10-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Molecular basis for reduced cleavage activity and drug resistance in D30N HIV-1 protease.
J.Biomol.Struct.Dyn., 2021
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5MAF
 | | Crystal structure of MELK in complex with an inhibitor | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ... | | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | 登録日 | 2016-11-03 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The target landscape of clinical kinase drugs.
Science, 358, 2017
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7DDC
 | | Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine | | 分子名称: | 3C-like proteinase, Tafenoquine | | 著者 | Chen, Y, Wang, Y.C, Yang, C.S, Hung, M.C. | | 登録日 | 2020-10-28 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.175 Å) | | 主引用文献 | Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2.
J.Biol.Chem., 298, 2022
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6LW2
 | | The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | | 分子名称: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | | 著者 | Wang, X.Y, Zhou, J, Xu, B.L. | | 登録日 | 2020-02-07 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
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6EVV
 | | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions. | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Troisi, R, Russo Krauss, I, Sica, F. | | 登録日 | 2017-11-02 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer.
Nucleic Acids Res., 46, 2018
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6LS6
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7XI7
 | | Human dihydrofolate reductase complexed with P39 | | 分子名称: | 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | 著者 | Vanichtanankul, J, Saeyang, T, Kamchonwongpaisan, S, Yuvaniyama, J, Yuthavong, Y. | | 登録日 | 2022-04-12 | | 公開日 | 2022-06-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
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5N49
 | | BRPF2 in complex with Compound 7 | | 分子名称: | 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Bromodomain-containing protein 1 | | 著者 | Bouche, L, Christ, C.D, Siegel, S, Fernandez-Montalvan, A.E, Holton, S.J, Fedorov, O, ter Laak, A, Sugawara, T, Stoeckigt, D, Tallant, C, Bennett, J, Monteiro, O, Saez, L.D, Siejka, P, Meier, J, Puetter, V, Weiske, J, Mueller, S, Huber, K.V.M, Hartung, I.V, Haendler, B. | | 登録日 | 2017-02-10 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
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5N6C
 | | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with NAD and L-Tartrate | | 分子名称: | D-3-phosphoglycerate dehydrogenase, L(+)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Unterlass, J.E, Basle, A, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | | 登録日 | 2017-02-14 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH).
Oncotarget, 8, 2017
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6G4Q
 | | Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2 | | 分子名称: | 1,2-ETHANEDIOL, Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, ... | | 著者 | Bailey, H.J, Shrestha, L, Rembeza, E, Sorrell, F.J, Newman, J, Strain-Damerell, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | | 登録日 | 2018-03-28 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
To Be Published
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5MAI
 | | Crystal structure of MELK in complex with an inhibitor | | 分子名称: | 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase | | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | 登録日 | 2016-11-03 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The target landscape of clinical kinase drugs.
Science, 358, 2017
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6GN7
 | | X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of sodium ions. | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Troisi, R, Russo Krauss, I, Sica, F. | | 登録日 | 2018-05-30 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer.
Nucleic Acids Res., 46, 2018
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7WOK
 | | Crystal structure of HSA soaked with cisplatin for one week | | 分子名称: | Albumin, Cisplatin, PHOSPHATE ION | | 著者 | Chen, S.L, Yuan, C, Jiang, L.G, Luo, Z.P, Huang, M.D. | | 登録日 | 2022-01-21 | | 公開日 | 2022-07-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystallographic analysis of interaction between cisplatin and human serum albumin: Effect of fatty acid.
Int.J.Biol.Macromol., 216, 2022
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7WOJ
 | | Crystal structure of HSA-Myr complex soaked with cisplatin for one week | | 分子名称: | Albumin, Cisplatin, MYRISTIC ACID | | 著者 | Chen, S.L, Yuan, C, Jiang, L.G, Luo, Z.P, Huang, M.D. | | 登録日 | 2022-01-21 | | 公開日 | 2022-07-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | | 主引用文献 | Crystallographic analysis of interaction between cisplatin and human serum albumin: Effect of fatty acid.
Int.J.Biol.Macromol., 216, 2022
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5MMD
 | | TMB-1. Structural insights into TMB-1 and the role of residue 119 and 228 in substrate and inhibitor binding | | 分子名称: | CHLORIDE ION, Metallo-beta-lactamase 1, ZINC ION | | 著者 | Skagseth, S, Christopeit, T, Akhter, S, Bayer, A, Samuelsen, O, Leiros, H.-K.S. | | 登録日 | 2016-12-09 | | 公開日 | 2017-03-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding.
Antimicrob. Agents Chemother., 61, 2017
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5MAG
 | | Crystal structure of MELK in complex with an inhibitor | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ... | | 著者 | Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S. | | 登録日 | 2016-11-03 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The target landscape of clinical kinase drugs.
Science, 358, 2017
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