4XXS
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![BU of 4xxs by Molmil](/molmil-images/mine/4xxs) | Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine | 分子名称: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Parris, K.D, Pandit, J. | 登録日 | 2015-01-30 | 公開日 | 2015-04-01 | 最終更新日 | 2015-04-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
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2HAG
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2IIZ
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![BU of 2iiz by Molmil](/molmil-images/mine/2iiz) | |
2GVK
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6O76
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6O9R
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6NLH
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![BU of 6nlh by Molmil](/molmil-images/mine/6nlh) | Structure of human triose phosphate isomerase R189A | 分子名称: | BROMIDE ION, PHOSPHATE ION, SODIUM ION, ... | 著者 | Richards, K.R, Roland, B.P, Palladino, M.J, VanDemark, A.P. | 登録日 | 2019-01-08 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Missense variant in TPI1 (Arg189Gln) causes neurologic deficits through structural changes in the triosephosphate isomerase catalytic site and reduced enzyme levels in vivo. Biochim Biophys Acta Mol Basis Dis, 1865, 2019
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6Q3U
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![BU of 6q3u by Molmil](/molmil-images/mine/6q3u) | Gly52Ala mutant of arginine-bound ArgBP from T. maritima | 分子名称: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein, ... | 著者 | Balasco, N, Smaldone, G, Ruggiero, A, Vitagliano, L. | 登録日 | 2018-12-04 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The characterization of Thermotoga maritima Arginine Binding Protein variants demonstrates that minimal local strains have an important impact on protein stability. Sci Rep, 9, 2019
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2G36
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8BCY
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![BU of 8bcy by Molmil](/molmil-images/mine/8bcy) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | 分子名称: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | 登録日 | 2022-10-17 | 公開日 | 2023-05-10 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors. Eur.J.Med.Chem., 254, 2023
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6EW6
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![BU of 6ew6 by Molmil](/molmil-images/mine/6ew6) | Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand | 分子名称: | B-cell lymphoma 6 protein, ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | 登録日 | 2017-11-03 | 公開日 | 2018-10-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6. ACS Chem. Biol., 13, 2018
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6EW8
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6EW7
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8BBY
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5C6B
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5C69
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7QGQ
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5UQ9
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![BU of 5uq9 by Molmil](/molmil-images/mine/5uq9) | Crystal structure of 6-phosphogluconate dehydrogenase with ((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate | 分子名称: | 6-phosphogluconate dehydrogenase, decarboxylating, [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate | 著者 | Leonard, P.G. | 登録日 | 2017-02-07 | 公開日 | 2018-08-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Functional Genomics Reveals Synthetic Lethality between Phosphogluconate Dehydrogenase and Oxidative Phosphorylation. Cell Rep, 26, 2019
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8EP2
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8EP9
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8FQ4
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![BU of 8fq4 by Molmil](/molmil-images/mine/8fq4) | AAV1 VP3 Only Capsid | 分子名称: | Capsid protein | 著者 | Mietzsch, M, McKenna, R. | 登録日 | 2023-01-05 | 公開日 | 2023-02-08 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.27 Å) | 主引用文献 | Production and characterization of an AAV1-VP3-only capsid: An analytical benchmark standard. Mol Ther Methods Clin Dev, 29, 2023
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7ZKM
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![BU of 7zkm by Molmil](/molmil-images/mine/7zkm) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form beta | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, ... | 著者 | Troisi, R, Sica, F. | 登録日 | 2022-04-13 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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7ZKO
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![BU of 7zko by Molmil](/molmil-images/mine/7zko) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form delta | 分子名称: | 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | 著者 | Troisi, R, Sica, F. | 登録日 | 2022-04-13 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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7ZKL
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![BU of 7zkl by Molmil](/molmil-images/mine/7zkl) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form alpha | 分子名称: | (2S)-2-hydroxybutanedioic acid, 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, ... | 著者 | Troisi, R, Sica, F. | 登録日 | 2022-04-13 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.18 Å) | 主引用文献 | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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7ZKN
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![BU of 7zkn by Molmil](/molmil-images/mine/7zkn) | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form gamma | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, ... | 著者 | Troisi, R, Sica, F. | 登録日 | 2022-04-13 | 公開日 | 2022-11-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | 主引用文献 | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers. Mol Ther Nucleic Acids, 30, 2022
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