8FYB
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![BU of 8fyb by Molmil](/molmil-images/mine/8fyb) | Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex | 分子名称: | Cas1, Cas2-DEDDh, DNA (17-MER), ... | 著者 | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | 登録日 | 2023-01-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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6B8Y
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8FYC
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![BU of 8fyc by Molmil](/molmil-images/mine/8fyc) | Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex linear CRISPR repeat conformation | 分子名称: | Cas1, Cas2-DEDDh, DEDDh, ... | 著者 | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | 登録日 | 2023-01-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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8FY9
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![BU of 8fy9 by Molmil](/molmil-images/mine/8fy9) | Cryo-EM structure of Cas1:Cas2-DEDDh:PAM-deficient prespacer complex | 分子名称: | Cas1, Cas2-DEDDh, DNA (28-MER) | 著者 | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | 登録日 | 2023-01-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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8FYD
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![BU of 8fyd by Molmil](/molmil-images/mine/8fyd) | Cryo-EM structure of Cas1:Cas2-DEDDh:half-site integration complex bent CRISPR repeat conformation | 分子名称: | Cas1, Cas2-DEDDh, DNA (13-MER), ... | 著者 | Skopintsev, P, Tuck, O.T, Soczek, K.M, Doudna, J. | 登録日 | 2023-01-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Genome expansion by a CRISPR trimmer-integrase. Nature, 618, 2023
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6HVF
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![BU of 6hvf by Molmil](/molmil-images/mine/6hvf) | Kinase domain of cSrc in complex with compound 29B | 分子名称: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | 著者 | Keul, M, Mueller, M.P, Rauh, D. | 登録日 | 2018-10-10 | 公開日 | 2019-10-23 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6HVE
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![BU of 6hve by Molmil](/molmil-images/mine/6hve) | Kinase domain of cSrc in complex with compound 9 | 分子名称: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | 著者 | Keul, M, Mueller, M.P, Rauh, D. | 登録日 | 2018-10-10 | 公開日 | 2019-10-23 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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5LY1
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![BU of 5ly1 by Molmil](/molmil-images/mine/5ly1) | JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer) | 分子名称: | CHLORIDE ION, CP2, GLYCEROL, ... | 著者 | King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J. | 登録日 | 2016-09-23 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Highly selective inhibition of histone demethylases by de novo macrocyclic peptides. Nat Commun, 8, 2017
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6S9B
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![BU of 6s9b by Molmil](/molmil-images/mine/6s9b) | EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | 分子名称: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide, Epidermal growth factor receptor | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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6S9C
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![BU of 6s9c by Molmil](/molmil-images/mine/6s9c) | EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | 分子名称: | DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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6S9D
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![BU of 6s9d by Molmil](/molmil-images/mine/6s9d) | EGFR-KINASE IN COMPLEX WITH COMPOUND 6 | 分子名称: | 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one, DIMETHYL SULFOXIDE, Epidermal growth factor receptor | 著者 | Bader, G. | 登録日 | 2019-07-12 | 公開日 | 2019-11-20 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors. J.Med.Chem., 62, 2019
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5LY2
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![BU of 5ly2 by Molmil](/molmil-images/mine/5ly2) | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer) | 分子名称: | CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ... | 著者 | Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J. | 登録日 | 2016-09-23 | 公開日 | 2017-04-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Highly selective inhibition of histone demethylases by de novo macrocyclic peptides. Nat Commun, 8, 2017
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1COH
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6NY3
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![BU of 6ny3 by Molmil](/molmil-images/mine/6ny3) | CasX ternary complex with 30bp target DNA | 分子名称: | CasX, DNA Non-target strand, DNA target strand, ... | 著者 | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | 登録日 | 2019-02-10 | 公開日 | 2019-02-27 | 最終更新日 | 2019-12-25 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | CasX enzymes comprise a distinct family of RNA-guided genome editors. Nature, 566, 2019
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6NY2
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![BU of 6ny2 by Molmil](/molmil-images/mine/6ny2) | CasX-gRNA-DNA(45bp) state I | 分子名称: | CasX, DNA Non-target strand, DNA target strand, ... | 著者 | Liu, J.J, Orlova, N, Nogales, E, Doudna, J.A. | 登録日 | 2019-02-10 | 公開日 | 2019-02-27 | 最終更新日 | 2019-12-25 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | CasX enzymes comprise a distinct family of RNA-guided genome editors. Nature, 566, 2019
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7CAY
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![BU of 7cay by Molmil](/molmil-images/mine/7cay) | Crystal Structure of Lon N-terminal domain protein from Xanthomonas campestris | 分子名称: | ATP-dependent protease | 著者 | Singh, R, Sharma, B, Deshmukh, S, Kumar, A, Makde, R.D. | 登録日 | 2020-06-10 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of XCC3289 from Xanthomonas campestris: homology with the N-terminal substrate-binding domain of Lon peptidase. Acta Crystallogr.,Sect.F, 76, 2020
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6BKX
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![BU of 6bkx by Molmil](/molmil-images/mine/6bkx) | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1 | 分子名称: | (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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6G27
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![BU of 6g27 by Molmil](/molmil-images/mine/6g27) | X-ray structure of NSD3-PWWP1 in complex with compound 5 | 分子名称: | 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6BL1
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![BU of 6bl1 by Molmil](/molmil-images/mine/6bl1) | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | 分子名称: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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6BKZ
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![BU of 6bkz by Molmil](/molmil-images/mine/6bkz) | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | 分子名称: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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6G25
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![BU of 6g25 by Molmil](/molmil-images/mine/6g25) | X-ray structure of NSD3-PWWP1 in complex with compound 4 | 分子名称: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2B
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![BU of 6g2b by Molmil](/molmil-images/mine/6g2b) | X-ray structure of NSD3-PWWP1 in complex with compound 8 | 分子名称: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G3T
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![BU of 6g3t by Molmil](/molmil-images/mine/6g3t) | X-ray structure of NSD3-PWWP1 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-26 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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1LFV
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![BU of 1lfv by Molmil](/molmil-images/mine/1lfv) | OXY HEMOGLOBIN (88% RELATIVE HUMIDITY) | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Biswal, B.K, Vijayan, M. | 登録日 | 2002-04-12 | 公開日 | 2002-10-12 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structures of human oxy- and deoxyhaemoglobin at different levels of humidity: variability in the T state. Acta Crystallogr.,Sect.D, 58, 2002
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6BL2
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![BU of 6bl2 by Molmil](/molmil-images/mine/6bl2) | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15 | 分子名称: | 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid, CALCIUM ION, ISOCITRIC ACID, ... | 著者 | Jakob, C.G, Qiu, W. | 登録日 | 2017-11-09 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61, 2018
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