7WVM
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![BU of 7wvm by Molmil](/molmil-images/mine/7wvm) | The complex structure of PD-1 and cemiplimab | 分子名称: | Heavy Chain of Cemiplimab, Light Chain of Cemiplimab, Programmed cell death protein 1 | 著者 | Lu, D, Xu, Z.P, Liu, K.F, Tan, S.G, Gao, G.F, Chai, Y. | 登録日 | 2022-02-10 | 公開日 | 2022-04-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | PD-1 N58-Glycosylation-Dependent Binding of Monoclonal Antibody Cemiplimab for Immune Checkpoint Therapy. Front Immunol, 13, 2022
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7XJH
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![BU of 7xjh by Molmil](/molmil-images/mine/7xjh) | Isoproterenol-activated dog beta3 adrenergic receptor | 分子名称: | Beta-3 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Shihoya, W, Nureki, O. | 登録日 | 2022-04-18 | 公開日 | 2022-05-04 | 最終更新日 | 2022-08-10 | 実験手法 | ELECTRON MICROSCOPY (3.3 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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7X7O
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![BU of 7x7o by Molmil](/molmil-images/mine/7x7o) | SARS-CoV-2 spike RBD in complex with neutralizing antibody UT28K | 分子名称: | Spike protein S1, UT28K Fab, heavy chain, ... | 著者 | Ozawa, T, Tani, H, Anraku, Y, Kita, S, Igarashi, E, Saga, Y, Inasaki, N, Kawasuji, H, Yamada, H, Sasaki, S, Somekawa, M, Sasaki, J, Hayakawa, Y, Yamamoto, Y, Morinaga, Y, Kurosawa, N, Isobe, M, Fukuhara, H, Maenaka, K, Hashiguchi, T, Kishi, H, Kitajima, I, Saito, S, Niimi, H. | 登録日 | 2022-03-10 | 公開日 | 2022-05-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.75 Å) | 主引用文献 | Novel super-neutralizing antibody UT28K is capable of protecting against infection from a wide variety of SARS-CoV-2 variants. Mabs, 14, 2022
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7WX2
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![BU of 7wx2 by Molmil](/molmil-images/mine/7wx2) | CBP-BrD complexed with NEO2734 | 分子名称: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein | 著者 | Zeng, L, Lei, J.D. | 登録日 | 2022-02-14 | 公開日 | 2022-06-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer. Oncogene, 41, 2022
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7WWZ
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![BU of 7wwz by Molmil](/molmil-images/mine/7wwz) | BRD4-BD1 complexed with NEO2734 | 分子名称: | 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4 | 著者 | Zeng, L, Lei, J.D. | 登録日 | 2022-02-14 | 公開日 | 2022-06-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer. Oncogene, 41, 2022
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7X2D
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![BU of 7x2d by Molmil](/molmil-images/mine/7x2d) | Cryo-EM structure of the tavapadon-bound D1 dopamine receptor and mini-Gs complex | 分子名称: | 1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ... | 著者 | Teng, X, Zheng, S. | 登録日 | 2022-02-25 | 公開日 | 2022-06-15 | 最終更新日 | 2022-10-12 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Ligand recognition and biased agonism of the D1 dopamine receptor. Nat Commun, 13, 2022
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7X2F
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![BU of 7x2f by Molmil](/molmil-images/mine/7x2f) | Cryo-EM structure of the dopamine and LY3154207-bound D1 dopamine receptor and mini-Gs complex | 分子名称: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | 著者 | Teng, X, Zheng, S. | 登録日 | 2022-02-25 | 公開日 | 2022-06-15 | 最終更新日 | 2022-06-22 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Ligand recognition and biased agonism of the D1 dopamine receptor. Nat Commun, 13, 2022
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7UJJ
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![BU of 7ujj by Molmil](/molmil-images/mine/7ujj) | Stx2a and DARPin complex | 分子名称: | 1,2-ETHANEDIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, DARPin, ... | 著者 | Jiang, M, Zhang, J. | 登録日 | 2022-03-30 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | 主引用文献 | A Multi-Specific DARPin Potently Neutralizes Shiga Toxin 2 via Simultaneous Modulation of Both Toxin Subunits. Bioengineering (Basel), 9, 2022
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7UM9
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![BU of 7um9 by Molmil](/molmil-images/mine/7um9) | Human ALDH1A1 with bound compound CM38 | 分子名称: | (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Hurley, T.D. | 登録日 | 2022-04-06 | 公開日 | 2023-04-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A Novel ALDH1A1 Inhibitor Blocks Platinum-Induced Senescence and Stemness in Ovarian Cancer. Cancers (Basel), 14, 2022
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7UYA
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![BU of 7uya by Molmil](/molmil-images/mine/7uya) | Inhibitor bound VIM1 | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7WCL
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![BU of 7wcl by Molmil](/molmil-images/mine/7wcl) | Crystal structure of FGFR1 kinase domain with Pemigatinib | 分子名称: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION | 著者 | Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.495 Å) | 主引用文献 | Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants. Commun Chem, 5, 2022
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7WJV
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![BU of 7wjv by Molmil](/molmil-images/mine/7wjv) | Crystal structure of human liver FBPase complexed with an covalent inhibitor | 分子名称: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | 著者 | Cao, H, Huang, Y, Ren, Y, Wan, J. | 登録日 | 2022-01-08 | 公開日 | 2022-07-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.724 Å) | 主引用文献 | N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction. J.Med.Chem., 65, 2022
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7X2C
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![BU of 7x2c by Molmil](/molmil-images/mine/7x2c) | Cryo-EM structure of the fenoldopam-bound D1 dopamine receptor and mini-Gs complex | 分子名称: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | 著者 | Teng, X, Zheng, S. | 登録日 | 2022-02-25 | 公開日 | 2022-06-29 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Ligand recognition and biased agonism of the D1 dopamine receptor. Nat Commun, 13, 2022
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7XGO
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![BU of 7xgo by Molmil](/molmil-images/mine/7xgo) | Human renin in complex with compound2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | 著者 | Kashima, A. | 登録日 | 2022-04-05 | 公開日 | 2022-08-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. Acs Med.Chem.Lett., 13, 2022
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7XGK
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![BU of 7xgk by Molmil](/molmil-images/mine/7xgk) | Human renin in complex with compound1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | 著者 | Kashima, A. | 登録日 | 2022-04-05 | 公開日 | 2022-08-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. Acs Med.Chem.Lett., 13, 2022
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7XGP
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![BU of 7xgp by Molmil](/molmil-images/mine/7xgp) | Human renin in complex with compound3 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | 著者 | Kashima, A. | 登録日 | 2022-04-05 | 公開日 | 2022-09-07 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor. J.Med.Chem., 65, 2022
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7XBB
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![BU of 7xbb by Molmil](/molmil-images/mine/7xbb) | Crystal structure of PDE4D catalytic domain complexed with compound 23a | 分子名称: | (2~{R},4~{S})-6-ethyl-2-[(2~{E})-2-hydroxyiminoethyl]-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | 著者 | Huang, Y.-Y, Luo, H.-B. | 登録日 | 2022-03-21 | 公開日 | 2022-07-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.100009 Å) | 主引用文献 | Structure-based optimization of Toddacoumalone as highly potent and selective PDE4 inhibitors with anti-inflammatory effects. Biochem Pharmacol, 202, 2022
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7XB5
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7X5H
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![BU of 7x5h by Molmil](/molmil-images/mine/7x5h) | Serotonin 5A (5-HT5A) receptor-Gi protein complex | 分子名称: | 3-(2-azanylethyl)-1H-indole-5-carboxamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Tan, Y, Xu, P, Huang, S, Xu, H.E, Jiang, Y. | 登録日 | 2022-03-04 | 公開日 | 2022-09-14 | 最終更新日 | 2022-09-21 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into the ligand binding and G i coupling of serotonin receptor 5-HT 5A . Cell Discov, 8, 2022
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7UKW
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![BU of 7ukw by Molmil](/molmil-images/mine/7ukw) | EGFR(T790M/V948R) in complex with Lazertinib (YH25448) | 分子名称: | Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | 著者 | Pham, C.D, Heppner, D.E. | 登録日 | 2022-04-02 | 公開日 | 2022-11-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448). Acs Med.Chem.Lett., 13, 2022
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7UUY
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![BU of 7uuy by Molmil](/molmil-images/mine/7uuy) | Structure of the sodium/iodide symporter (NIS) | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sodium/iodide cotransporter | 著者 | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | 登録日 | 2022-04-29 | 公開日 | 2022-12-21 | 最終更新日 | 2023-01-04 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural insights into the mechanism of the sodium/iodide symporter. Nature, 612, 2022
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7UUZ
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![BU of 7uuz by Molmil](/molmil-images/mine/7uuz) | Structure of the sodium/iodide symporter (NIS) in complex with perrhenate and sodium | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, PERRHENATE, SODIUM ION, ... | 著者 | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | 登録日 | 2022-04-29 | 公開日 | 2022-12-21 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Structural insights into the mechanism of the sodium/iodide symporter. Nature, 612, 2022
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7UV0
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![BU of 7uv0 by Molmil](/molmil-images/mine/7uv0) | Structure of the sodium/iodide symporter (NIS) in complex with iodide and sodium | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, IODIDE ION, SODIUM ION, ... | 著者 | Ravera, S, Nicola, J.P, Salazar-De Simone, G, Sigworth, F, Karakas, E, Amzel, L.M, Bianchet, M, Carrasco, N. | 登録日 | 2022-04-29 | 公開日 | 2022-12-21 | 最終更新日 | 2023-01-04 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into the mechanism of the sodium/iodide symporter. Nature, 612, 2022
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7UVR
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![BU of 7uvr by Molmil](/molmil-images/mine/7uvr) | Crystal structure of human ClpP protease in complex with TR-65 | 分子名称: | 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial | 著者 | Mabanglo, M.F, Houry, W.A. | 登録日 | 2022-05-02 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome. Structure, 31, 2023
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7UE8
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![BU of 7ue8 by Molmil](/molmil-images/mine/7ue8) | PANK3 complex structure with compound PZ-3890 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... | 著者 | White, S.W, Yun, M, Lee, R.E. | 登録日 | 2022-03-21 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia. J Inherit Metab Dis, 46, 2023
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