7U97
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![BU of 7u97 by Molmil](/molmil-images/mine/7u97) | SAAV pH 4.0 capsid structure | 分子名称: | Capsid protein | 著者 | Mietzsch, M, McKenna, R. | 登録日 | 2022-03-10 | 公開日 | 2022-04-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | 主引用文献 | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity. J.Virol., 96, 2022
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7U95
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![BU of 7u95 by Molmil](/molmil-images/mine/7u95) | SAAV pH 6.0 capsid structure | 分子名称: | Capsid protein | 著者 | Mietzsch, M, McKenna, R. | 登録日 | 2022-03-10 | 公開日 | 2022-04-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.73 Å) | 主引用文献 | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity. J.Virol., 96, 2022
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7U96
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![BU of 7u96 by Molmil](/molmil-images/mine/7u96) | SAAV pH 5.5 capsid structure | 分子名称: | Capsid protein | 著者 | Mietzsch, M, McKenna, R. | 登録日 | 2022-03-10 | 公開日 | 2022-04-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (2.14 Å) | 主引用文献 | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity. J.Virol., 96, 2022
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7U94
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![BU of 7u94 by Molmil](/molmil-images/mine/7u94) | SAAV pH 7.4 capsid structure | 分子名称: | Capsid protein | 著者 | Mietzsch, M, McKenna, R. | 登録日 | 2022-03-10 | 公開日 | 2022-04-13 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity. J.Virol., 96, 2022
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5IAS
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![BU of 5ias by Molmil](/molmil-images/mine/5ias) | Caspase 3 V266Y | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-21 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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4CSW
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![BU of 4csw by Molmil](/molmil-images/mine/4csw) | Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase | 分子名称: | CITRIC ACID, CUPIN 4 FAMILY PROTEIN, GLYCEROL, ... | 著者 | McDonough, M.A, Sekirnik, R, Schofield, C.J. | 登録日 | 2014-03-11 | 公開日 | 2014-04-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.821 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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5K0I
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![BU of 5k0i by Molmil](/molmil-images/mine/5k0i) | mpges1 bound to an inhibitor | 分子名称: | 1,5-anhydro-2,3,4-trideoxy-3-{[(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carbonyl]amino}-D-erythro-hexitol, GLUTATHIONE, Prostaglandin E synthase, ... | 著者 | Luz, J.G, Kuklish, S.L. | 登録日 | 2016-05-17 | 公開日 | 2016-09-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5HOI
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3EAX
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![BU of 3eax by Molmil](/molmil-images/mine/3eax) | Crystal structure PTP1B complex with small molecule compound LZP-6 | 分子名称: | 4,4'-piperazine-1,4-diylbis{1-[3-(benzyloxy)phenyl]-4-oxobutane-1,3-dione}, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Zhang, Z.-Y, Liu, S, Zhang, L.-F, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q. | 登録日 | 2008-08-26 | 公開日 | 2009-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors. J.Am.Chem.Soc., 130, 2008
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5IAK
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![BU of 5iak by Molmil](/molmil-images/mine/5iak) | Caspase 3 V266S | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-21 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5INH
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![BU of 5inh by Molmil](/molmil-images/mine/5inh) | Crystal structure of Autotaxin/ENPP2 with a covalent fragment | 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, ACETATE ION, ... | 著者 | Klein, M.G, Tjhen, R. | 登録日 | 2016-03-07 | 公開日 | 2017-03-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Repurposing Suzuki Coupling Reagents as a Directed Fragment Library Targeting Serine Hydrolases and Related Enzymes. J. Med. Chem., 60, 2017
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3EB1
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![BU of 3eb1 by Molmil](/molmil-images/mine/3eb1) | Crystal structure PTP1B complex with small molecule inhibitor LZP-25 | 分子名称: | 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Liu, S, Zheng, L.-F, Wu, L, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q, Zhang, Z.-Y. | 登録日 | 2008-08-26 | 公開日 | 2009-07-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors. J.Am.Chem.Soc., 130, 2008
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6EIH
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5IAE
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![BU of 5iae by Molmil](/molmil-images/mine/5iae) | Caspase 3 V266F | 分子名称: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ... | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-21 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAN
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![BU of 5ian by Molmil](/molmil-images/mine/5ian) | Caspase 3 V266N | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ... | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-21 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IBR
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![BU of 5ibr by Molmil](/molmil-images/mine/5ibr) | Caspase 3 V266K | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3 | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-22 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5JAZ
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![BU of 5jaz by Molmil](/molmil-images/mine/5jaz) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC51 and manganese | 分子名称: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, FORMIC ACID, ... | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | 登録日 | 2016-04-12 | 公開日 | 2016-08-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin. Chemmedchem, 11, 2016
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6D4E
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![BU of 6d4e by Molmil](/molmil-images/mine/6d4e) | Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG1. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Fc Fragment of IgG1 | 著者 | Gohain, N, Tolbert, W.D, Pazgier, M. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses. Mabs, 11, 2019
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5N68
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![BU of 5n68 by Molmil](/molmil-images/mine/5n68) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m | 分子名称: | 2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | 著者 | Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2017-02-14 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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5N63
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![BU of 5n63 by Molmil](/molmil-images/mine/5n63) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c | 分子名称: | Mitogen-activated protein kinase 14, ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine | 著者 | Buehrmann, M, Mueller, M.P, Rauh, D. | 登録日 | 2017-02-14 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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6CDO
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![BU of 6cdo by Molmil](/molmil-images/mine/6cdo) | Structure of vaccine-elicited HIV-1 neutralizing antibody vFP16.02 in complex with HIV-1 fusion peptide residue 512-519 | 分子名称: | HIV-1 fusion peptide 512-519, SULFATE ION, vFP16.02 Fab heavy chain, ... | 著者 | Xu, K, Liu, K, Kwong, P.D. | 登録日 | 2018-02-08 | 公開日 | 2018-05-16 | 最終更新日 | 2018-06-20 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. Nat. Med., 24, 2018
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5IBP
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![BU of 5ibp by Molmil](/molmil-images/mine/5ibp) | Caspase 3 V266M | 分子名称: | ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3 | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-22 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5I9B
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![BU of 5i9b by Molmil](/molmil-images/mine/5i9b) | Caspase 3 V266A | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-19 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IBC
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![BU of 5ibc by Molmil](/molmil-images/mine/5ibc) | Caspase 3 V266I | 分子名称: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | 著者 | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | 登録日 | 2016-02-22 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5N66
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![BU of 5n66 by Molmil](/molmil-images/mine/5n66) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j | 分子名称: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine | 著者 | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | 登録日 | 2017-02-14 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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