8IJK
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![BU of 8ijk by Molmil](/molmil-images/mine/8ijk) | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | 分子名称: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | 著者 | Ma, D, Guo, J. | 登録日 | 2023-02-27 | 公開日 | 2024-01-17 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 20, 2024
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8UZL
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![BU of 8uzl by Molmil](/molmil-images/mine/8uzl) | Designed Transmembrane beta-barrel- TMB10_163 | 分子名称: | Designed Transmembrane beta-barrel TMB10_163, HEXANE-1,6-DIOL | 著者 | Bera, A.K, Lemma, S.B, Kang, A, Baker, D. | 登録日 | 2023-11-15 | 公開日 | 2024-07-17 | 最終更新日 | 2024-07-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Sculpting conducting nanopore size and shape through de novo protein design. Science, 385, 2024
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8D0Z
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![BU of 8d0z by Molmil](/molmil-images/mine/8d0z) | S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ... | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | 登録日 | 2022-05-26 | 公開日 | 2023-03-22 | 最終更新日 | 2023-05-03 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants. J.Clin.Invest., 133, 2023
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8V2Y
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![BU of 8v2y by Molmil](/molmil-images/mine/8v2y) | Room temperature X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris | 分子名称: | FLAVIN MONONUCLEOTIDE, Flavodoxin | 著者 | Ansari, A, Khan, S.A, Miller, A.F. | 登録日 | 2023-11-24 | 公開日 | 2024-03-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Structure, dynamics, and redox reactivity of an all-purpose flavodoxin. J.Biol.Chem., 300, 2024
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8X43
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![BU of 8x43 by Molmil](/molmil-images/mine/8x43) | human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2 | 分子名称: | Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | 著者 | Ma, D, Guo, J. | 登録日 | 2023-11-15 | 公開日 | 2024-01-17 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 20, 2024
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6KBD
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![BU of 6kbd by Molmil](/molmil-images/mine/6kbd) | fused To-MtbCsm1 with 2dATP | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION | 著者 | Li, T, Huo, Y, Jiang, T. | 登録日 | 2019-06-24 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity. Int.J.Biol.Macromol., 170, 2020
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5YE2
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5YE1
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3K5F
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![BU of 3k5f by Molmil](/molmil-images/mine/3k5f) | Human BACE-1 COMPLEX WITH AYH011 | 分子名称: | (1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide, Beta-secretase 1 | 著者 | Rondeau, J.-M. | 登録日 | 2009-10-07 | 公開日 | 2010-05-05 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5YE5
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3K5D
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![BU of 3k5d by Molmil](/molmil-images/mine/3k5d) | Crystal Structure of BACE-1 in complex with AHM178 | 分子名称: | Beta-secretase 1, N-acetyl-L-leucyl-N-[(4S,5S,7R)-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-L-methioninamide | 著者 | Rondeau, J.-M. | 登録日 | 2009-10-07 | 公開日 | 2010-05-05 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3K5G
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![BU of 3k5g by Molmil](/molmil-images/mine/3k5g) | Human bace-1 complex with bjc060 | 分子名称: | (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1 | 著者 | Rondeau, J.-M. | 登録日 | 2009-10-07 | 公開日 | 2010-05-05 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5YDZ
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8WNW
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![BU of 8wnw by Molmil](/molmil-images/mine/8wnw) | the structure of PsaQ | 分子名称: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, PsaQ | 著者 | Zhang, S.M, Si, L, Li, M. | 登録日 | 2023-10-06 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Growth phase-dependent reorganization of cryptophyte photosystem I antennae. Commun Biol, 7, 2024
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8WMW
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![BU of 8wmw by Molmil](/molmil-images/mine/8wmw) | The structure of PSI-11CAC at the stationary growth phase | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | 著者 | Zhang, S.M, Si, L, Li, M. | 登録日 | 2023-10-04 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Growth phase-dependent reorganization of cryptophyte photosystem I antennae. Commun Biol, 7, 2024
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8WMJ
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![BU of 8wmj by Molmil](/molmil-images/mine/8wmj) | structure of PSI-11CAC complex at Logrithmic growth phase | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | 著者 | Zhang, S.M, Si, L, Li, M. | 登録日 | 2023-10-03 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Growth phase-dependent reorganization of cryptophyte photosystem I antennae. Commun Biol, 7, 2024
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8WM6
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![BU of 8wm6 by Molmil](/molmil-images/mine/8wm6) | The structure of PSI-CAC(L-14)of R.salina at 2.7 angstroms resolution | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | 著者 | Zhang, S.M, Si, L, Li, M. | 登録日 | 2023-10-03 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Growth phase-dependent reorganization of cryptophyte photosystem I antennae. Commun Biol, 7, 2024
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8WMV
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![BU of 8wmv by Molmil](/molmil-images/mine/8wmv) | The structure of PSI-14CAC complex at stationary growth phase | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | 著者 | Zhang, S.M, Si, L, Li, M. | 登録日 | 2023-10-04 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | Growth phase-dependent reorganization of cryptophyte photosystem I antennae. Commun Biol, 7, 2024
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5JYO
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![BU of 5jyo by Molmil](/molmil-images/mine/5jyo) | Allosteric inhibition of Kidney Isoform of Glutaminase | 分子名称: | 2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | 著者 | Sivaraman, J, Jayaraman, S. | 登録日 | 2016-05-15 | 公開日 | 2016-08-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Structural basis for exploring the allosteric inhibition of human kidney type glutaminase. Oncotarget, 7, 2016
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7FJH
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![BU of 7fjh by Molmil](/molmil-images/mine/7fjh) | LecA from Pseudomonas aeruginosa in complex with 4-Phenylbutyryl hydroxamic acid (CAS: 32153-46-1) | 分子名称: | CALCIUM ION, N-oxidanyl-4-phenyl-butanamide, PA-I galactophilic lectin | 著者 | Shanina, S, Kuhaudomlarp, S, Siebs, E, Fuchsberger, F, Denis, M, da Silva Figueiredo Celstino Gomes, P, Clausen, M.H, Seeberger, P.H, Rognan, D, Titz, A, Imberty, A, Rademacher, C. | 登録日 | 2021-08-04 | 公開日 | 2022-06-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Targeting undruggable carbohydrate recognition sites through focused fragment library design. Commun Chem, 5, 2022
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7KPF
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![BU of 7kpf by Molmil](/molmil-images/mine/7kpf) | NME2 bound to myristoyl-CoA | 分子名称: | GLYCEROL, MAGNESIUM ION, Nucleoside diphosphate kinase B, ... | 著者 | Price, I.R, Lin, H. | 登録日 | 2020-11-11 | 公開日 | 2022-02-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | A Chemical Proteomic Approach reveals the regulation of NME1/2 and cancer metastasis by Long-Chain Fatty Acyl Coenzyme A To Be Published
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4LRG
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![BU of 4lrg by Molmil](/molmil-images/mine/4lrg) | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | 著者 | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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7YK2
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![BU of 7yk2 by Molmil](/molmil-images/mine/7yk2) | Cryo-EM structure of Apo-alpha-syn fibril | 分子名称: | Alpha-synuclein | 著者 | Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. | 登録日 | 2022-07-21 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy. J.Am.Chem.Soc., 145, 2023
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7YK8
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![BU of 7yk8 by Molmil](/molmil-images/mine/7yk8) | Cryo-EM structure of dLAG3-alpha-syn fibril | 分子名称: | Alpha-synuclein | 著者 | Xu, Q.H, Xia, W.C, Tao, Y.Q, Liu, C. | 登録日 | 2022-07-22 | 公開日 | 2023-03-22 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Conformational Dynamics of an alpha-Synuclein Fibril upon Receptor Binding Revealed by Insensitive Nuclei Enhanced by Polarization Transfer-Based Solid-State Nuclear Magnetic Resonance and Cryo-Electron Microscopy. J.Am.Chem.Soc., 145, 2023
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7DA7
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![BU of 7da7 by Molmil](/molmil-images/mine/7da7) | |