9G2A
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![BU of 9g2a by Molmil](/molmil-images/mine/9g2a) | Staphylococcus aureus MazF in complex with nanobody 4 | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoribonuclease MazF, ... | 著者 | Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R. | 登録日 | 2024-07-10 | 公開日 | 2024-07-17 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.046594 Å) | 主引用文献 | Staphylococcus aureus MazF in complex with nanobody 4. To Be Published
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1FUF
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![BU of 1fuf by Molmil](/molmil-images/mine/1fuf) | CRYSTAL STRUCTURE OF A 14BP RNA OLIGONUCLEOTIDE CONTAINING DOUBLE UU BULGES: A NOVEL INTRAMOLECULAR U*(AU) BASE TRIPLE | 分子名称: | (5'-R(*GP*GP*UP*AP*UP*UP*UP*CP*GP*GP*UP*AP*(CBR)P*C)-3'), MAGNESIUM ION, SPERMINE | 著者 | Deng, J, Xiong, Y, Sudarsanakumar, C, Shi, K, Sundaralingam, M. | 登録日 | 2000-09-15 | 公開日 | 2001-11-09 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structures of two forms of a 14-mer RNA/DNA chimer duplex with double UU bulges: a novel intramolecular U*(A x U) base triple. RNA, 7, 2001
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5DMA
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8B73
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4ZZN
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![BU of 4zzn by Molmil](/molmil-images/mine/4zzn) | Human ERK2 in complex with an inhibitor | 分子名称: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | 登録日 | 2015-04-10 | 公開日 | 2015-05-27 | 最終更新日 | 2015-08-26 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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4IFL
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![BU of 4ifl by Molmil](/molmil-images/mine/4ifl) | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | 分子名称: | Nrf2 peptide, kelch-like ECH-associated protein 1 | 著者 | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | 登録日 | 2012-12-14 | 公開日 | 2013-12-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes Acta Crystallogr.,Sect.D
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4IFN
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![BU of 4ifn by Molmil](/molmil-images/mine/4ifn) | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | 分子名称: | (1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, kelch-like ECH-associated protein 1 | 著者 | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | 登録日 | 2012-12-14 | 公開日 | 2013-12-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes Acta Crystallogr.,Sect.D
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4IFJ
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![BU of 4ifj by Molmil](/molmil-images/mine/4ifj) | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | 分子名称: | Kelch-like ECH-associated protein 1 | 著者 | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | 登録日 | 2012-12-14 | 公開日 | 2014-08-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes To be Published
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8H3G
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![BU of 8h3g by Molmil](/molmil-images/mine/8h3g) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | 著者 | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H3L
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![BU of 8h3l by Molmil](/molmil-images/mine/8h3l) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir | 分子名称: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | 著者 | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H3K
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![BU of 8h3k by Molmil](/molmil-images/mine/8h3k) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir | 分子名称: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ... | 著者 | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | 登録日 | 2022-10-08 | 公開日 | 2023-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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6TNE
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4I5M
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![BU of 4i5m by Molmil](/molmil-images/mine/4i5m) | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | 著者 | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | 登録日 | 2012-11-28 | 公開日 | 2013-12-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain. Chemmedchem, 8, 2013
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5AHN
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![BU of 5ahn by Molmil](/molmil-images/mine/5ahn) | IMP-bound form of the D199N mutant of IMPDH from Pseudomonas aeruginosa | 分子名称: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MAGNESIUM ION | 著者 | Labesse, G, Alexandre, T, Gelin, M, Haouz, A, Munier-Lehmann, H. | 登録日 | 2015-02-06 | 公開日 | 2015-07-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.652 Å) | 主引用文献 | Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation Acta Crystallogr.,Sect.D, 71, 2015
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138D
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![BU of 138d by Molmil](/molmil-images/mine/138d) | A-DNA DECAMER D(GCGGGCCCGC)-HEXAGONAL CRYSTAL FORM | 分子名称: | DNA (5'-D(*GP*CP*GP*GP*GP*CP*CP*CP*GP*C)-3') | 著者 | Ramakrishnan, B, Sundaralingam, M. | 登録日 | 1993-09-15 | 公開日 | 1994-01-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evidence for crystal environment dominating base sequence effects on DNA conformation: crystal structures of the orthorhombic and hexagonal polymorphs of the A-DNA decamer d(GCGGGCCCGC) and comparison with their isomorphous crystal structures. Biochemistry, 32, 1993
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137D
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![BU of 137d by Molmil](/molmil-images/mine/137d) | A-DNA DECAMER D(GCGGGCCCGC)-ORTHORHOMBIC CRYSTAL FORM | 分子名称: | DNA (5'-D(*GP*CP*GP*GP*GP*CP*CP*CP*GP*C)-3') | 著者 | Ramakrishnan, B, Sundaralingam, M. | 登録日 | 1993-09-15 | 公開日 | 1994-01-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Evidence for crystal environment dominating base sequence effects on DNA conformation: crystal structures of the orthorhombic and hexagonal polymorphs of the A-DNA decamer d(GCGGGCCCGC) and comparison with their isomorphous crystal structures. Biochemistry, 32, 1993
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6D39
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6D38
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116D
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117D
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3RTP
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![BU of 3rtp by Molmil](/molmil-images/mine/3rtp) | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | 分子名称: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | 著者 | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | 登録日 | 2011-05-03 | 公開日 | 2013-05-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration. Bioorg.Med.Chem.Lett., 21, 2011
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100D
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118D
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195D
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![BU of 195d by Molmil](/molmil-images/mine/195d) | X-RAY STRUCTURES OF THE B-DNA DODECAMER D(CGCGTTAACGCG) WITH AN INVERTED CENTRAL TETRANUCLEOTIDE AND ITS NETROPSIN COMPLEX | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*G)-3'), NETROPSIN | 著者 | Balendiran, K, Rao, S.T, Sekharudu, C.Y, Zon, G, Sundaralingam, M. | 登録日 | 1994-10-04 | 公開日 | 1995-02-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | X-ray structures of the B-DNA dodecamer d(CGCGTTAACGCG) with an inverted central tetranucleotide and its netropsin complex. Acta Crystallogr.,Sect.D, 51, 1995
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159D
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![BU of 159d by Molmil](/molmil-images/mine/159d) | SIDE BY SIDE BINDING OF TWO DISTAMYCIN A DRUGS IN THE MINOR GROOVE OF AN ALTERNATING B-DNA DUPLEX | 分子名称: | DISTAMYCIN A, DNA (5'-D(*IP*CP*IP*CP*IP*CP*IP*C)-3'), MAGNESIUM ION | 著者 | Chen, X, Ramakrishnan, B, Rao, S.T, Sundaralingam, M. | 登録日 | 1994-02-10 | 公開日 | 1995-02-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Binding of two distamycin A molecules in the minor groove of an alternating B-DNA duplex. Nat.Struct.Biol., 1, 1994
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