6GGE
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6CVQ
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![BU of 6cvq by Molmil](/molmil-images/mine/6cvq) | Human Aprataxin (Aptx) H201Q bound to RNA-DNA, AMP and Zn product complex | 分子名称: | ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ... | 著者 | Schellenberg, M.J, Tumbale, P.S, Williams, R.S. | 登録日 | 2018-03-28 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease. EMBO J., 37, 2018
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7B4D
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![BU of 7b4d by Molmil](/molmil-images/mine/7b4d) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | 著者 | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | 登録日 | 2020-12-02 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7B4N
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![BU of 7b4n by Molmil](/molmil-images/mine/7b4n) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (II) | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | 著者 | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | 登録日 | 2020-12-02 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7B49
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![BU of 7b49 by Molmil](/molmil-images/mine/7b49) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA and MQ: R273H-DNA-MQ | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ... | 著者 | Rozenberg, H, Degtjarik, O, Shakked, Z. | 登録日 | 2020-12-02 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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7B4F
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![BU of 7b4f by Molmil](/molmil-images/mine/7b4f) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (I) | 分子名称: | Cellular tumor antigen p53, DNA target, FORMIC ACID, ... | 著者 | Rozenberg, H, Degtjarik, O, Shakked, Z. | 登録日 | 2020-12-02 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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6ZNC
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![BU of 6znc by Molmil](/molmil-images/mine/6znc) | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I) | 分子名称: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | 著者 | Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z. | 登録日 | 2020-07-06 | 公開日 | 2021-12-08 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Nat Commun, 12, 2021
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4AGN
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![BU of 4agn by Molmil](/molmil-images/mine/4agn) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116 | 分子名称: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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4AGM
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![BU of 4agm by Molmil](/molmil-images/mine/4agm) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5086 | 分子名称: | 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL, CELLULAR TUMOR ANTIGEN P53, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Boeckler, F.M, Fersht, A.R. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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6GGF
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6CVO
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![BU of 6cvo by Molmil](/molmil-images/mine/6cvo) | Human Aprataxin (Aptx) bound to nicked RNA-DNA, AMP and Zn product complex | 分子名称: | ADENOSINE MONOPHOSPHATE, Aprataxin, BETA-MERCAPTOETHANOL, ... | 著者 | Schellenberg, M.J, Tumbale, P.P, Williams, R.S. | 登録日 | 2018-03-28 | 公開日 | 2018-08-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Mechanism of APTX nicked DNA sensing and pleiotropic inactivation in neurodegenerative disease. EMBO J., 37, 2018
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6GGC
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6B3E
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6WCK
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![BU of 6wck by Molmil](/molmil-images/mine/6wck) | KRAS G-quadruplex G16T mutant with Bromo Uracil replacing T8 and T16. | 分子名称: | DNA (5'-D(*AP*GP*GP*GP*CP*GP*GP*(BRU)P*GP*TP*GP*GP*GP*AP*AP*(BRU)P*AP*GP*GP*GP*AP*A)-3'), POTASSIUM ION | 著者 | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | 登録日 | 2020-03-30 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition. Nucleic Acids Res., 48, 2020
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6DUQ
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![BU of 6duq by Molmil](/molmil-images/mine/6duq) | Structure of a Rho-NusG KOW domain complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | 著者 | Berger, J.M, Lawson, M.R. | 登録日 | 2018-06-21 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Mechanism for the Regulated Control of Bacterial Transcription Termination by a Universal Adaptor Protein. Mol. Cell, 71, 2018
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6DI3
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![BU of 6di3 by Molmil](/molmil-images/mine/6di3) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | 著者 | GARDBERG, A. | 登録日 | 2018-05-22 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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4AGO
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![BU of 4ago by Molmil](/molmil-images/mine/4ago) | Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5174 | 分子名称: | CELLULAR TUMOR ANTIGEN P53, TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE, ZINC ION | 著者 | Joerger, A.C, Wilcken, R, Fersht, A.R, Boeckler, F.M. | 登録日 | 2012-01-30 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant P53. J.Am.Chem.Soc., 134, 2012
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6DI9
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![BU of 6di9 by Molmil](/molmil-images/mine/6di9) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | 分子名称: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | GARDBERG, A. | 登録日 | 2018-05-23 | 公開日 | 2018-09-05 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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6DI5
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![BU of 6di5 by Molmil](/molmil-images/mine/6di5) | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT INHIBITOR | 分子名称: | 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | Gardberg, A. | 登録日 | 2018-05-22 | 公開日 | 2018-09-05 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit. Bioorg. Med. Chem. Lett., 28, 2018
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3PF1
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![BU of 3pf1 by Molmil](/molmil-images/mine/3pf1) | E. coli FadL Asp348Ala mutant | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | 著者 | Vandenberg, B, Lepore, B.W, Hearn, E.M, Indic, M, Patel, D. | 登録日 | 2010-10-27 | 公開日 | 2011-05-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | From the Cover: Ligand-gated diffusion across the bacterial outer membrane. Proc.Natl.Acad.Sci.USA, 108, 2011
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7K4A
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![BU of 7k4a by Molmil](/molmil-images/mine/7k4a) | Cryo-EM structure of human TRPV6 in the open state | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | 登録日 | 2020-09-15 | 公開日 | 2020-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
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6O5E
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![BU of 6o5e by Molmil](/molmil-images/mine/6o5e) | Crystal structure of the Vitronectin hemopexin-like domain | 分子名称: | CHLORIDE ION, IMIDAZOLE, NITRATE ION, ... | 著者 | Lechtenberg, B.C, Shin, K, Marassi, F.M. | 登録日 | 2019-03-01 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of human Vitronectin C-terminal domain and interaction withYersinia pestisouter membrane protein Ail. Sci Adv, 5, 2019
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6M2B
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![BU of 6m2b by Molmil](/molmil-images/mine/6m2b) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | 分子名称: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | 著者 | Zhu, L, Li, H. | 登録日 | 2020-02-27 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2. Protein Cell, 11, 2020
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6P0B
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![BU of 6p0b by Molmil](/molmil-images/mine/6p0b) | Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+ | 分子名称: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... | 著者 | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | 登録日 | 2019-05-16 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | 主引用文献 | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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6P0A
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![BU of 6p0a by Molmil](/molmil-images/mine/6p0a) | Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 2 mM Mg2+ | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | 著者 | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | 登録日 | 2019-05-16 | 公開日 | 2019-12-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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