6MRG
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![BU of 6mrg by Molmil](/molmil-images/mine/6mrg) | FAAH bound to non covalent inhibitor | 分子名称: | (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol, Fatty-acid amide hydrolase 1 | 著者 | Saha, A, Shih, A, Mirzadegan, T, Seierstad, M. | 登録日 | 2018-10-12 | 公開日 | 2018-10-31 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation. J Chem Theory Comput, 14, 2018
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6OVG
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6M94
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![BU of 6m94 by Molmil](/molmil-images/mine/6m94) | Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex | 分子名称: | Catenin beta-1, DIMETHYL SULFOXIDE, F-box/WD repeat-containing protein 1A, ... | 著者 | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | 登録日 | 2018-08-22 | 公開日 | 2019-04-03 | 最終更新日 | 2019-04-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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6M91
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![BU of 6m91 by Molmil](/molmil-images/mine/6m91) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-103094 ternary complex | 分子名称: | 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid, CHLORIDE ION, Catenin beta-1, ... | 著者 | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | 登録日 | 2018-08-22 | 公開日 | 2019-04-03 | 最終更新日 | 2019-04-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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6M93
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![BU of 6m93 by Molmil](/molmil-images/mine/6m93) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-1933 ternary complex | 分子名称: | 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | 著者 | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Lee, S.J. | 登録日 | 2018-08-22 | 公開日 | 2019-04-03 | 最終更新日 | 2019-04-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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2M2C
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![BU of 2m2c by Molmil](/molmil-images/mine/2m2c) | Solution structure of Duplex DNA | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*TP*AP*GP*CP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*AP*TP*GP*CP*TP*AP*CP*GP*CP*G)-3') | 著者 | Ghosh, A, Kar, R.K, Chatterjee, S, Bhunia, A. | 登録日 | 2012-12-18 | 公開日 | 2013-01-23 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Indolicidin targets duplex DNA: structural and mechanistic insight through a combination of spectroscopy and microscopy. Chemmedchem, 9, 2014
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8VXE
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![BU of 8vxe by Molmil](/molmil-images/mine/8vxe) | Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 | 分子名称: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 | 著者 | Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. | 登録日 | 2024-02-04 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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8VXD
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8VXF
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![BU of 8vxf by Molmil](/molmil-images/mine/8vxf) | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | 分子名称: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | 著者 | Thompson, A.A, Milligan, C.M, Sharma, S. | 登録日 | 2024-02-04 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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7XRW
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![BU of 7xrw by Molmil](/molmil-images/mine/7xrw) | Solution structure of T. brucei RAP1 | 分子名称: | Repressor activator protein 1 | 著者 | Yang, X, Pan, X.H, Ji, Z.Y, Wong, K.B, Zhang, M.J, Zhao, Y.X. | 登録日 | 2022-05-12 | 公開日 | 2023-03-01 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression. Nat Commun, 14, 2023
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6M90
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![BU of 6m90 by Molmil](/molmil-images/mine/6m90) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex | 分子名称: | 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | 著者 | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J. | 登録日 | 2018-08-22 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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6M92
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![BU of 6m92 by Molmil](/molmil-images/mine/6m92) | Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2663 ternary complex | 分子名称: | 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid, Catenin beta-1, F-box/WD repeat-containing protein 1A, ... | 著者 | Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J, Lee, S.J. | 登録日 | 2018-08-22 | 公開日 | 2019-04-03 | 最終更新日 | 2020-01-15 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction. Nat Commun, 10, 2019
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7ZO1
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8SK5
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![BU of 8sk5 by Molmil](/molmil-images/mine/8sk5) | Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH | 著者 | Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y. | 登録日 | 2023-04-18 | 公開日 | 2023-08-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | 主引用文献 | Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants. Sci Rep, 13, 2023
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5EIG
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![BU of 5eig by Molmil](/molmil-images/mine/5eig) | |
7QQR
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7QQV
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![BU of 7qqv by Molmil](/molmil-images/mine/7qqv) | SpCas9 bound to FANCF off-target3 DNA substrate | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target3 non-target strand, FANCF off-target3 target strand, ... | 著者 | Pacesa, M, Jinek, M. | 登録日 | 2022-01-10 | 公開日 | 2022-10-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QR5
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7QQP
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7QQS
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![BU of 7qqs by Molmil](/molmil-images/mine/7qqs) | SpCas9 bound to FANCF on-target DNA substrate | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, FANCF on-target non-target strand, FANCF on-target target strand, ... | 著者 | Pacesa, M, Jinek, M. | 登録日 | 2022-01-10 | 公開日 | 2022-10-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQO
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7QQQ
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7QQU
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![BU of 7qqu by Molmil](/molmil-images/mine/7qqu) | SpCas9 bound to FANCF off-target2 DNA substrate | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target2 non-target strand, FANCF off-target2 target strand, ... | 著者 | Pacesa, M, Jinek, M. | 登録日 | 2022-01-10 | 公開日 | 2022-10-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQX
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![BU of 7qqx by Molmil](/molmil-images/mine/7qqx) | SpCas9 bound to FANCF off-target5 DNA substrate | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target5 non-target strand, FANCF off-target5 target strand, ... | 著者 | Pacesa, M, Jinek, M. | 登録日 | 2022-01-10 | 公開日 | 2022-10-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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7QQT
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![BU of 7qqt by Molmil](/molmil-images/mine/7qqt) | SpCas9 bound to FANCF off-target1 DNA substrate | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, FANCF off-target1 non-target strand, FANCF off-target1 target strand, ... | 著者 | Pacesa, M, Jinek, M. | 登録日 | 2022-01-10 | 公開日 | 2022-10-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural basis for Cas9 off-target activity. Cell, 185, 2022
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