6T8V
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![BU of 6t8v by Molmil](/molmil-images/mine/6t8v) | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | 分子名称: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | 登録日 | 2019-10-25 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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3KW8
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![BU of 3kw8 by Molmil](/molmil-images/mine/3kw8) | Two-domain laccase from Streptomyces coelicolor at 2.3 A resolution | 分子名称: | COPPER (II) ION, FE (III) ION, Putative copper oxidase, ... | 著者 | Skalova, T, Dohnalek, J, Kolenko, P, Duskova, J, Stepankova, A, Hasek, J, Ostergaard, L.H, Ostergaard, P.R. | 登録日 | 2009-12-01 | 公開日 | 2010-12-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Structure of laccase from Streptomyces coelicolor after soaking with potassium hexacyanoferrate and at an improved resolution of 2.3 A Acta Crystallogr.,Sect.F, 67, 2011
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5K32
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![BU of 5k32 by Molmil](/molmil-images/mine/5k32) | PDE4D crystal structure in complex with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... | 著者 | Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. | 登録日 | 2016-05-19 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships. J. Med. Chem., 61, 2018
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1ZSF
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![BU of 1zsf by Molmil](/molmil-images/mine/1zsf) | Crystal Structure of Complex of a Hydroxyethylamine Inhibitor with HIV-1 Protease at 2.0A Resolution | 分子名称: | N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | 著者 | Duskova, J, Skalova, T, Dohnalek, J, Petrokova, H, Hasek, J. | 登録日 | 2005-05-24 | 公開日 | 2006-04-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution. Acta Crystallogr.,Sect.D, 62, 2006
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1ZSR
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![BU of 1zsr by Molmil](/molmil-images/mine/1zsr) | Crystal structure of wild type HIV-1 protease (BRU isolate) with a hydroxyethylamine peptidomimetic inhibitor BOC-PHE-PSI[S-CH(OH)CH2NH]-PHE-GLU-PHE-NH2 | 分子名称: | N-{(2S,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | 著者 | Skalova, T, Dohnalek, J, Duskova, J, Petrokova, H, Hasek, J. | 登録日 | 2005-05-24 | 公開日 | 2006-04-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution. Acta Crystallogr.,Sect.D, 62, 2006
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3CCP
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![BU of 3ccp by Molmil](/molmil-images/mine/3ccp) | X-RAY STRUCTURES OF RECOMBINANT YEAST CYTOCHROME C PEROXIDASE AND THREE HEME-CLEFT MUTANTS PREPARED BY SITE-DIRECTED MUTAGENESIS | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, YEAST CYTOCHROME C PEROXIDASE | 著者 | Wang, J, Mauro, J.M, Edwards, S.L, Oatley, S.J, Fishel, L.A, Ashford, V.A, Xuong, N.-H, Kraut, J. | 登録日 | 1990-02-28 | 公開日 | 1991-07-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | X-ray structures of recombinant yeast cytochrome c peroxidase and three heme-cleft mutants prepared by site-directed mutagenesis. Biochemistry, 29, 1990
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4B1E
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![BU of 4b1e by Molmil](/molmil-images/mine/4b1e) | New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain | 分子名称: | (2R)-2-methyl-5-phenyl-2-(3-pyridin-3-ylphenyl)-2,3-dihydro-1H-imidazol-4-amine, BETA-SECRETASE 1 | 著者 | Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. | 登録日 | 2012-07-10 | 公開日 | 2012-10-10 | 最終更新日 | 2018-02-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
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4B1C
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![BU of 4b1c by Molmil](/molmil-images/mine/4b1c) | New Aminoimidazoles as BACE-1 Inhibitors: From Rational Design to Ab- lowering in Brain | 分子名称: | (2R)-2-cyclopropyl-5-methyl-2-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-2H-imidazol-4-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | 著者 | Rahm, F, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, von Berg, S, von Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Gravenfors, Y. | 登録日 | 2012-07-10 | 公開日 | 2012-10-10 | 最終更新日 | 2018-02-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | New aminoimidazoles as beta-secretase (BACE-1) inhibitors showing amyloid-beta (A beta ) lowering in brain. J. Med. Chem., 55, 2012
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3CC9
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![BU of 3cc9 by Molmil](/molmil-images/mine/3cc9) | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate | 分子名称: | GERANYLGERANYL DIPHOSPHATE, Putative farnesyl pyrophosphate synthase, SODIUM ION | 著者 | Wernimont, A.K, Dunford, J, Lew, J, Zhao, Y, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | 登録日 | 2008-02-25 | 公開日 | 2008-03-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of Plasmodium vivax putative polyprenyl pyrophosphate synthase in complex with geranylgeranyl diphosphate. To be Published
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8X8N
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![BU of 8x8n by Molmil](/molmil-images/mine/8x8n) | Cryo-EM structure of the octreotide-bound Somatostatin receptor 5-Gi protein complex | 分子名称: | 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, Guanine nucleotide-binding protein G(i) subunit alpha, ... | 著者 | Xu, H.E, You, C, Zhao, L, Li, J. | 登録日 | 2023-11-27 | 公開日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Cryo-EM structure of the octreotide-bound Somatostatin receptor 5-Gi protein complex To Be Published
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4V06
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![BU of 4v06 by Molmil](/molmil-images/mine/4v06) | Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain | 分子名称: | FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2 | 著者 | Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | 登録日 | 2014-09-11 | 公開日 | 2014-10-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain To be Published
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4V0B
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![BU of 4v0b by Molmil](/molmil-images/mine/4v0b) | Escherichia coli FtsH hexameric N-domain | 分子名称: | ATP-DEPENDENT ZINC METALLOPROTEASE FTSH, SULFATE ION | 著者 | Serek-Heuberger, J, Martin, J, Lupas, A.N, Hartmann, M.D. | 登録日 | 2014-09-13 | 公開日 | 2015-01-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structure and Evolution of N-Domains in Aaa Metalloproteases. J.Mol.Biol., 427, 2015
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4V0Q
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![BU of 4v0q by Molmil](/molmil-images/mine/4v0q) | Dengue Virus Full Length NS5 Complexed with SAH | 分子名称: | ACETATE ION, GLYCEROL, NS5 POLYMERASE, ... | 著者 | Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D. | 登録日 | 2014-09-18 | 公開日 | 2015-01-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication. Plos Pathog., 11, 2015
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8YUV
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![BU of 8yuv by Molmil](/molmil-images/mine/8yuv) | Cryo-EM structure of the immepip-bound H3R-Gi complex | 分子名称: | 4-(1H-imidazol-5-ylmethyl)piperidine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | 登録日 | 2024-03-27 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
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8YUU
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![BU of 8yuu by Molmil](/molmil-images/mine/8yuu) | Cryo-EM structure of the histamine-bound H3R-Gi complex | 分子名称: | CHOLESTEROL, 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 | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | 登録日 | 2024-03-27 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
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4YZZ
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![BU of 4yzz by Molmil](/molmil-images/mine/4yzz) | Crystal structure of a TRAP transporter solute binding protein (IPR025997) from Bordetella bronchiseptica RB50 (BB0280, TARGET EFI-500035) mixed occupancy dimer, copurified calcium and picolinate bound active site versus apo site | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-03-25 | 公開日 | 2015-05-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal structure of a TRAP transporter solute binding protein (IPR025997) from Bordetella bronchiseptica RB50 (BB0280, TARGET EFI-500035) mixed occupancy dimer, copurified calcium and picolinate bound active site versus apo site To be published
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8YUT
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![BU of 8yut by Molmil](/molmil-images/mine/8yut) | Cryo-EM structure of the amthamine-bound H2R-Gs complex | 分子名称: | 5-(2-azanylethyl)-4-methyl-1,3-thiazol-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | 登録日 | 2024-03-27 | 公開日 | 2024-06-05 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs. Adv Sci, 11, 2024
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8ZMN
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![BU of 8zmn by Molmil](/molmil-images/mine/8zmn) | |
4USD
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![BU of 4usd by Molmil](/molmil-images/mine/4usd) | Human STK10 (LOK) with SB-633825 | 分子名称: | 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10 | 著者 | Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S. | 登録日 | 2014-07-07 | 公開日 | 2015-07-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Comprehensive Characterization of the Published Kinase Inhibitor Set. Nat.Biotechnol., 34, 2016
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6U3O
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![BU of 6u3o by Molmil](/molmil-images/mine/6u3o) | JR51 DQ2-p.aeru-alpha2a complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | 著者 | Petersen, J, Rossjohn, J. | 登録日 | 2019-08-22 | 公開日 | 2019-12-18 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.743 Å) | 主引用文献 | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease. Nat.Struct.Mol.Biol., 27, 2020
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6ZAG
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![BU of 6zag by Molmil](/molmil-images/mine/6zag) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms. | 分子名称: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | 登録日 | 2020-06-05 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4001 Å) | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAN
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![BU of 6zan by Molmil](/molmil-images/mine/6zan) | Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV. | 分子名称: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | 登録日 | 2020-06-05 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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8X8L
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![BU of 8x8l by Molmil](/molmil-images/mine/8x8l) | Cryo-EM structure of the cortistatin 17-bound Somatostatin receptor 5-Gi protein complex | 分子名称: | Cortistatin, 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 | Xu, H.E, You, C, Zhao, L, Li, J. | 登録日 | 2023-11-27 | 公開日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Cryo-EM structure of the cortistatin 17-bound Somatostatin receptor 5-Gi protein complex To Be Published
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6U3N
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![BU of 6u3n by Molmil](/molmil-images/mine/6u3n) | LS2.8/3.15 - DQ2-P.fluor-alpha1a complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ... | 著者 | Petersen, J, Rossjohn, J. | 登録日 | 2019-08-22 | 公開日 | 2019-12-18 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | T cell receptor cross-reactivity between gliadin and bacterial peptides in celiac disease. Nat.Struct.Mol.Biol., 27, 2020
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7R69
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![BU of 7r69 by Molmil](/molmil-images/mine/7r69) | |