1B1C
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![BU of 1b1c by Molmil](/molmil-images/mine/1b1c) | CRYSTAL STRUCTURE OF THE FMN-BINDING DOMAIN OF HUMAN CYTOCHROME P450 REDUCTASE AT 1.93A RESOLUTION | 分子名称: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, PROTEIN (NADPH-CYTOCHROME P450 REDUCTASE) | 著者 | Zhao, Q, Modi, S, Smith, G, Paine, M, Mcdonagh, P.D, Wolf, C.R, Tew, D, Lian, L.-Y, Roberts, G.C.K, Driessen, H.P.C. | 登録日 | 1998-11-19 | 公開日 | 1999-11-24 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Crystal structure of the FMN-binding domain of human cytochrome P450 reductase at 1.93 A resolution. Protein Sci., 8, 1999
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3FQ9
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![BU of 3fq9 by Molmil](/molmil-images/mine/3fq9) | Design of an insulin analog with enhanced receptor-binding selectivity. Rationale, structure, and therapeutic implications | 分子名称: | Insulin, ZINC ION | 著者 | Zhao, M, Wan, Z.L, Whittaker, L, Xu, B, Phillips, N, Katsoyannis, P, Whittaker, J, Weiss, M.A. | 登録日 | 2009-01-07 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Design of an insulin analog with enhanced receptor binding selectivity: rationale, structure, and therapeutic implications. J.Biol.Chem., 284, 2009
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8FP1
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![BU of 8fp1 by Molmil](/molmil-images/mine/8fp1) | PKCeta kinase domain in complex with compound 2 | 分子名称: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Protein kinase C eta type | 著者 | Johnson, E. | 登録日 | 2023-01-03 | 公開日 | 2023-04-05 | 最終更新日 | 2023-04-26 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FJZ
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![BU of 8fjz by Molmil](/molmil-images/mine/8fjz) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-20 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FP3
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![BU of 8fp3 by Molmil](/molmil-images/mine/8fp3) | PKCeta kinase domain in complex with compound 11 | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type | 著者 | Johnson, E. | 登録日 | 2023-01-03 | 公開日 | 2023-04-05 | 最終更新日 | 2023-04-26 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FH4
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![BU of 8fh4 by Molmil](/molmil-images/mine/8fh4) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile | 分子名称: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-13 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.827 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FKO
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![BU of 8fko by Molmil](/molmil-images/mine/8fko) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | 分子名称: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-21 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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7JJI
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![BU of 7jji by Molmil](/molmil-images/mine/7jji) | Structure of SARS-CoV-2 3Q-2P full-length prefusion spike trimer (C3 symmetry) | 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-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ... | 著者 | Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B. | 登録日 | 2020-07-26 | 公開日 | 2020-08-26 | 最終更新日 | 2020-12-23 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate. Science, 370, 2020
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7JJJ
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![BU of 7jjj by Molmil](/molmil-images/mine/7jjj) | Structure of SARS-CoV-2 3Q-2P full-length dimers of spike trimers | 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 | Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B. | 登録日 | 2020-07-26 | 公開日 | 2020-08-26 | 最終更新日 | 2020-12-23 | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | 主引用文献 | Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate. Science, 370, 2020
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6CXC
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![BU of 6cxc by Molmil](/molmil-images/mine/6cxc) | 3.9A Cryo-EM structure of murine antibody bound at a novel epitope of respiratory syncytial virus fusion protein | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Envelope glycoprotein chimera, ... | 著者 | Xie, Q, Wang, Z, Chen, X, Ni, F, Ma, J, Wang, Q. | 登録日 | 2018-04-02 | 公開日 | 2019-07-31 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Structure basis of neutralization by a novel site II/IV antibody against respiratory syncytial virus fusion protein. Plos One, 14, 2019
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3V1G
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![BU of 3v1g by Molmil](/molmil-images/mine/3v1g) | Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | 著者 | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | 登録日 | 2011-12-09 | 公開日 | 2012-12-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health To be Published
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3V19
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![BU of 3v19 by Molmil](/molmil-images/mine/3v19) | Forestalling insulin fibrillation by insertion of a chiral clamp mechanism-based application of protein engineering to global health | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | 著者 | Wan, Z.L, Hua, Q.X, Wickramasinghe, N.P, Huang, K, Petkova, A.T, Hu, S.Q, Phillips, N.B, Yeh, I.J, Whittake, J, Ismail-Beigi, F, Katsoyyannis, P.G, Tycko, R, Weiss, M.A. | 登録日 | 2011-12-09 | 公開日 | 2012-12-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Forestalling insulin fibrillation by insertion of a
chiral clamp mechanism-based application of protein engineering to global health To be Published
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3GKY
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![BU of 3gky by Molmil](/molmil-images/mine/3gky) | The Structural Basis of an ER Stress-Associated Bottleneck in a Protein Folding Landscape | 分子名称: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | 著者 | Liu, M, Wan, Z.L, Chu, Y.C, Alddin, H, Klaproth, B, Weiss, M.A. | 登録日 | 2009-03-11 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of a "nonfoldable" insulin: IMPAIRED FOLDING EFFICIENCY DESPITE NATIVE ACTIVITY. J.Biol.Chem., 284, 2009
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3EOC
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![BU of 3eoc by Molmil](/molmil-images/mine/3eoc) | Cdk2/CyclinA complexed with a imidazo triazin-2-amine | 分子名称: | 5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Cell division protein kinase 2, Cyclin-A2 | 著者 | Cheung, M, Kuntz, K, Pobanz, M, Salovich, J, Wilson, B, Andrews, W, Shewchuk, L, Epperly, A, Hassler, D, Leesnitzer, M, Smith, J, Smith, G, Lansing, T, Mook, R. | 登録日 | 2008-09-26 | 公開日 | 2008-11-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1. Bioorg.Med.Chem.Lett., 18, 2008
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3P2X
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![BU of 3p2x by Molmil](/molmil-images/mine/3p2x) | Insulin fibrillation is the Janus face of induced fit. A chiaral clamp stabilizes the native state at the expense of activity | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | 著者 | Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A. | 登録日 | 2010-10-04 | 公開日 | 2011-11-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity To be Published
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3P33
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![BU of 3p33 by Molmil](/molmil-images/mine/3p33) | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | 著者 | Hua, Q.X, Wan, Z.L, Huang, K, Hu, S.Q, Phillip, N.F, Jia, W.H, Whittingham, J, Dodson, G.G, Katsoyannis, P.G, Weiss, M.A. | 登録日 | 2010-10-04 | 公開日 | 2011-11-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the native state at the expense of activity To be Published
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3ROV
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![BU of 3rov by Molmil](/molmil-images/mine/3rov) | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | 分子名称: | CHLORIDE ION, Insulin, PHENOL, ... | 著者 | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | 登録日 | 2011-04-26 | 公開日 | 2012-05-02 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus To be Published
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4A0D
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![BU of 4a0d by Molmil](/molmil-images/mine/4a0d) | Structure of unliganded human PARG catalytic domain | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ... | 著者 | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | 登録日 | 2011-09-08 | 公開日 | 2012-10-17 | 最終更新日 | 2013-01-16 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4B1J
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![BU of 4b1j by Molmil](/molmil-images/mine/4b1j) | Structure of human PARG catalytic domain in complex with ADP-HPD | 分子名称: | 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, ... | 著者 | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | 登録日 | 2012-07-10 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4B1H
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![BU of 4b1h by Molmil](/molmil-images/mine/4b1h) | Structure of human PARG catalytic domain in complex with ADP-ribose | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, BETA-MERCAPTOETHANOL, GLYCEROL, ... | 著者 | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Smith, G, Tucker, J.A, Watson, M. | 登録日 | 2012-07-10 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4B1I
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![BU of 4b1i by Molmil](/molmil-images/mine/4b1i) | Structure of human PARG catalytic domain in complex with OA-ADP-HPD | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 8-n-octylamino-adenosine diphosphate hydroxypyrrolidinediol, GLYCEROL, ... | 著者 | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, Johnson, T, McAlister, M, Smith, G, Tucker, J.A, Watson, M. | 登録日 | 2012-07-10 | 公開日 | 2012-12-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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4B1G
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![BU of 4b1g by Molmil](/molmil-images/mine/4b1g) | Structure of unliganded human PARG catalytic domain | 分子名称: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, POLY(ADP-RIBOSE) GLYCOHYDROLASE, SULFATE ION | 著者 | Brassington, C, Ellston, J, Hassall, G, Holdgate, G, McAlister, M, Overman, R, Smith, G, Tucker, J.A, Watson, M. | 登録日 | 2012-07-10 | 公開日 | 2012-12-19 | 最終更新日 | 2013-01-16 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structures of the Human Poly (Adp-Ribose) Glycohydrolase Catalytic Domain Confirm Catalytic Mechanism and Explain Inhibition by Adp-Hpd Derivatives. Plos One, 7, 2012
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3BXQ
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![BU of 3bxq by Molmil](/molmil-images/mine/3bxq) | The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition | 分子名称: | ZINC ION, insulin A chain, insulin B chain | 著者 | Wan, Z.L, Huang, K, Hu, S.Q, Whittaker, J, Weiss, M.A. | 登録日 | 2008-01-14 | 公開日 | 2008-05-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The structure of a mutant insulin uncouples receptor binding from protein allostery. An electrostatic block to the TR transition. J.Biol.Chem., 283, 2008
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3KQ6
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![BU of 3kq6 by Molmil](/molmil-images/mine/3kq6) | Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog | 分子名称: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | 著者 | Wan, Z.L, Hu, S.Q, Whittaker, L, Phillips, N.B, Whittake, J, Ismail-Beigi, F, Weiss, M.A. | 登録日 | 2009-11-17 | 公開日 | 2010-02-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Supramolecular protein engineering: design of zinc-stapled insulin hexamers as a long acting depot. J.Biol.Chem., 285, 2010
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7BN9
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![BU of 7bn9 by Molmil](/molmil-images/mine/7bn9) | |