8BI2
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![BU of 8bi2 by Molmil](/molmil-images/mine/8bi2) | Syk kinase domain in complex with macrocyclic inhibitor 20a | 分子名称: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | 著者 | Read, J.A, Patel, J. | 登録日 | 2022-11-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.508 Å) | 主引用文献 | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors. Bioorg.Med.Chem.Lett., 91, 2023
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6PWV
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![BU of 6pwv by Molmil](/molmil-images/mine/6pwv) | Cryo-EM structure of MLL1 core complex bound to the nucleosome | 分子名称: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | 登録日 | 2019-07-23 | 公開日 | 2019-12-18 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | 主引用文献 | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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4BB4
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![BU of 4bb4 by Molmil](/molmil-images/mine/4bb4) | ephB4 kinase domain inhibitor complex | 分子名称: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide | 著者 | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L. | 登録日 | 2012-09-19 | 公開日 | 2013-02-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors. J.Med.Chem., 56, 2013
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5A86
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4WEJ
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![BU of 4wej by Molmil](/molmil-images/mine/4wej) | Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam | 分子名称: | (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | 著者 | Ferguson, A.D. | 登録日 | 2014-09-10 | 公開日 | 2015-04-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.045 Å) | 主引用文献 | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
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6W5I
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![BU of 6w5i by Molmil](/molmil-images/mine/6w5i) | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class01) | 分子名称: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | 著者 | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | 登録日 | 2020-03-13 | 公開日 | 2021-03-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | 主引用文献 | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin. Nat Commun, 12, 2021
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6W5N
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![BU of 6w5n by Molmil](/molmil-images/mine/6w5n) | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class05) | 分子名称: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | 登録日 | 2020-03-13 | 公開日 | 2021-03-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (6 Å) | 主引用文献 | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin. Nat Commun, 12, 2021
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6W5M
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![BU of 6w5m by Molmil](/molmil-images/mine/6w5m) | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class02) | 分子名称: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | 登録日 | 2020-03-13 | 公開日 | 2021-03-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin. Nat Commun, 12, 2021
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6PWW
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![BU of 6pww by Molmil](/molmil-images/mine/6pww) | Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome | 分子名称: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | 登録日 | 2019-07-23 | 公開日 | 2019-12-18 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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6PWX
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![BU of 6pwx by Molmil](/molmil-images/mine/6pwx) | Cryo-EM structure of RbBP5 bound to the nucleosome | 分子名称: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | 著者 | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | 登録日 | 2019-07-23 | 公開日 | 2019-12-18 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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4WEK
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![BU of 4wek by Molmil](/molmil-images/mine/4wek) | Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted vinyl monocarbam | 分子名称: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | 著者 | Ferguson, A.D. | 登録日 | 2014-09-10 | 公開日 | 2015-04-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
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4WEL
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![BU of 4wel by Molmil](/molmil-images/mine/4wel) | Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176 | 分子名称: | (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3 | 著者 | Ferguson, A.D. | 登録日 | 2014-09-10 | 公開日 | 2015-04-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3. Acs Med.Chem.Lett., 6, 2015
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5WO4
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![BU of 5wo4 by Molmil](/molmil-images/mine/5wo4) | JAK1 complexed with compound 28 | 分子名称: | 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1 | 著者 | Lesburg, C.A, Patel, S.B. | 登録日 | 2017-08-01 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties. J. Med. Chem., 60, 2017
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2AHI
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![BU of 2ahi by Molmil](/molmil-images/mine/2ahi) | Structural Basis of DNA Recognition by p53 Tetramers (complex III) | 分子名称: | 5'-D(*CP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION | 著者 | Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z. | 登録日 | 2005-07-28 | 公開日 | 2006-07-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural Basis of DNA Recognition by p53 Tetramers Mol.Cell, 22, 2006
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5WDF
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6WWC
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![BU of 6wwc by Molmil](/molmil-images/mine/6wwc) | |
6WX2
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![BU of 6wx2 by Molmil](/molmil-images/mine/6wx2) | |
4ZMJ
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![BU of 4zmj by Molmil](/molmil-images/mine/4zmj) | Crystal Structure of Ligand-Free BG505 SOSIP.664 HIV-1 Env Trimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ... | 著者 | Kwon, Y.D, Kwong, P.D. | 登録日 | 2015-05-04 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | 主引用文献 | Crystal structure, conformational fixation and entry-related interactions of mature ligand-free HIV-1 Env. Nat.Struct.Mol.Biol., 22, 2015
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6OSY
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![BU of 6osy by Molmil](/molmil-images/mine/6osy) | |
6OT1
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5TKJ
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![BU of 5tkj by Molmil](/molmil-images/mine/5tkj) | Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519 | 分子名称: | HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ... | 著者 | Xu, K, Liu, K, Kwong, P.D. | 登録日 | 2016-10-06 | 公開日 | 2018-04-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.118 Å) | 主引用文献 | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. Nat. Med., 24, 2018
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5TKK
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5F9W
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![BU of 5f9w by Molmil](/molmil-images/mine/5f9w) | Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ... | 著者 | Chen, L, Zhou, T, Kwong, P.D. | 登録日 | 2015-12-10 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8911 Å) | 主引用文献 | Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody. Cell, 165, 2016
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6CDI
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![BU of 6cdi by Molmil](/molmil-images/mine/6cdi) | Cryo-EM structure at 3.6 A resolution of vaccine-elicited antibody vFP16.02 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ... | 著者 | Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D. | 登録日 | 2018-02-08 | 公開日 | 2018-05-16 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1. Nat. Med., 24, 2018
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6CDM
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![BU of 6cdm by Molmil](/molmil-images/mine/6cdm) | |