6RTY
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![BU of 6rty by Molmil](/molmil-images/mine/6rty) | Crystal structure of the Patched ectodomain in complex with nanobody NB64 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Llama-derived nanobody NB64, Protein patched homolog 1 | 著者 | Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | 登録日 | 2019-05-27 | 公開日 | 2019-10-02 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism. Nat.Chem.Biol., 15, 2019
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8C32
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8C35
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8C33
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8RIJ
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![BU of 8rij by Molmil](/molmil-images/mine/8rij) | Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | 登録日 | 2023-12-18 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor. J.Med.Chem., 67, 2024
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8TXY
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![BU of 8txy by Molmil](/molmil-images/mine/8txy) | X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ... | 著者 | Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M. | 登録日 | 2023-08-24 | 公開日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation. Proc.Natl.Acad.Sci.USA, 121, 2024
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6PU0
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![BU of 6pu0 by Molmil](/molmil-images/mine/6pu0) | Pigeon Cryptochrome4 bound to flavin adenine dinucleotide | 分子名称: | 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ... | 著者 | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | 登録日 | 2019-07-16 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8979 Å) | 主引用文献 | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon. Proc.Natl.Acad.Sci.USA, 116, 2019
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6PTZ
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![BU of 6ptz by Molmil](/molmil-images/mine/6ptz) | Crystal structure of pigeon Cryptochrome 4 mutant Y319D in complex with flavin adenine dinucleotide | 分子名称: | Cryptochrome-1, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | 登録日 | 2019-07-16 | 公開日 | 2019-09-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.793 Å) | 主引用文献 | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon. Proc.Natl.Acad.Sci.USA, 116, 2019
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6O0V
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![BU of 6o0v by Molmil](/molmil-images/mine/6o0v) | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1 | 著者 | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | 登録日 | 2019-02-17 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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6FYU
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7V3F
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![BU of 7v3f by Molmil](/molmil-images/mine/7v3f) | DENV2_NGC_Fab_C10 28degree (1Fab:3E) | 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, Envelope protein E, ... | 著者 | Shu, B, Zhang, S, Victor, A.K, Ng, T.S, Lok, S.M. | 登録日 | 2021-08-10 | 公開日 | 2021-12-29 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Human antibody C10 neutralizes by diminishing Zika but enhancing dengue virus dynamics. Cell, 184, 2021
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7V3G
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![BU of 7v3g by Molmil](/molmil-images/mine/7v3g) | DENV2_NGC_Fab_C10 28degrees (2Fab:3E) | 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, Envelope protein E, ... | 著者 | Shu, B, Zhang, S, Victor, A.K, Ng, T.S, Lok, S.M. | 登録日 | 2021-08-10 | 公開日 | 2021-12-29 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Human antibody C10 neutralizes by diminishing Zika but enhancing dengue virus dynamics. Cell, 184, 2021
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7V3H
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![BU of 7v3h by Molmil](/molmil-images/mine/7v3h) | DENV2_NGC_Fab_C10 28degrees (3Fab:3E) | 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, C10 IgG heavy chain variable region, ... | 著者 | Shu, B, Zhang, S, Victor, A.K, Ng, T.S, Lok, S.M. | 登録日 | 2021-08-10 | 公開日 | 2021-12-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Human antibody C10 neutralizes by diminishing Zika but enhancing dengue virus dynamics. Cell, 184, 2021
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8RNG
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![BU of 8rng by Molmil](/molmil-images/mine/8rng) | Crystal structure of HLA B*18:01 in complex with TEVETYVL, an 8-mer epitope from Influenza A | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MAGNESIUM ION, ... | 著者 | Murdolo, L.D, Maddumage, J.C, Gras, S. | 登録日 | 2024-01-10 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structure of HLA B*18:01 in complex with TEVETYVL, an 8-mer epitope from Influenza A To Be Published
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6TJH
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![BU of 6tjh by Molmil](/molmil-images/mine/6tjh) | Crystal structure of the computationally designed Cake9 protein | 分子名称: | Cake9, GLYCEROL, SULFATE ION | 著者 | Mylemans, B, Laier, I, Noguchi, H, Voet, A.R.D. | 登録日 | 2019-11-26 | 公開日 | 2020-05-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution. Febs J., 288, 2021
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6Q53
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8V1F
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![BU of 8v1f by Molmil](/molmil-images/mine/8v1f) | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol | 分子名称: | 1,2-ETHANEDIOL, 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 | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC) | 登録日 | 2023-11-20 | 公開日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol To Be Published
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6THL
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![BU of 6thl by Molmil](/molmil-images/mine/6thl) | Crystal structure of the complex between RTT106 and BCD1 | 分子名称: | Box C/D snoRNA protein 1, Rtt106p | 著者 | Charron, C, Bragantini, B, Manival, X, Charpentier, B. | 登録日 | 2019-11-20 | 公開日 | 2020-12-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The box C/D snoRNP assembly factor Bcd1 interacts with the histone chaperone Rtt106 and controls its transcription dependent activity. Nat Commun, 12, 2021
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6T2W
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![BU of 6t2w by Molmil](/molmil-images/mine/6t2w) | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | 分子名称: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | 著者 | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | 登録日 | 2019-10-09 | 公開日 | 2020-01-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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7C1C
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6NJT
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![BU of 6njt by Molmil](/molmil-images/mine/6njt) | Mouse endonuclease G mutant - H97A | 分子名称: | CHLORIDE ION, Endonuclease G, mitochondrial, ... | 著者 | Vander Zanden, C.M, Ho, E.N, Czarny, R.S, Robertson, A.B, Ho, P.S. | 登録日 | 2019-01-04 | 公開日 | 2020-01-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structural adaptation of vertebrate endonuclease G for 5-hydroxymethylcytosine recognition and function. Nucleic Acids Res., 48, 2020
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8RH6
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![BU of 8rh6 by Molmil](/molmil-images/mine/8rh6) | Crystal structure of HLA-A*11:01 in complex with SVLNDILSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | 登録日 | 2023-12-15 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | 主引用文献 | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
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6NOJ
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![BU of 6noj by Molmil](/molmil-images/mine/6noj) | PD-L1 IgV domain V76T with fragment | 分子名称: | Programmed cell death 1 ligand 1, methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate | 著者 | Zhao, B, Perry, E. | 登録日 | 2019-01-16 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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6T94
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![BU of 6t94 by Molmil](/molmil-images/mine/6t94) | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex of N120C mutant protein with the reduced form of the cofactor NADH. | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | 登録日 | 2019-10-25 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme. J.Struct.Biol., 212, 2020
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6T8Y
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![BU of 6t8y by Molmil](/molmil-images/mine/6t8y) | NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex with the reduced form of the cofactor NADH and the substrate formate at a secondary site. | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A. | 登録日 | 2019-10-25 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme. J.Struct.Biol., 212, 2020
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