1Y9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y9h by Molmil](/molmil-images/mine/1y9h) | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement | 分子名称: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3' | 著者 | Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J. | 登録日 | 2004-12-15 | 公開日 | 2005-03-22 | 最終更新日 | 2024-04-24 | 実験手法 | SOLUTION NMR | 主引用文献 | Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement. J.Mol.Biol., 346, 2005
|
|
7UJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ujf by Molmil](/molmil-images/mine/7ujf) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties | 分子名称: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-30 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
|
|
7UJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ujo by Molmil](/molmil-images/mine/7ujo) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411 | 分子名称: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, MAGNESIUM ION | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-31 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.449 Å) | 主引用文献 | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
|
|
7UJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ujy by Molmil](/molmil-images/mine/7ujy) | Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time | 分子名称: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-31 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
|
|
7UJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ujw by Molmil](/molmil-images/mine/7ujw) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities | 分子名称: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-31 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
|
|
1OGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ogu by Molmil](/molmil-images/mine/1ogu) | STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR | 分子名称: | 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | 著者 | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | 登録日 | 2003-05-13 | 公開日 | 2003-09-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2 Bioorg.Med.Chem.Lett., 13, 2003
|
|
7UJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ujm by Molmil](/molmil-images/mine/7ujm) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells | 分子名称: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-03-31 | 公開日 | 2022-06-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells. Elife, 11, 2022
|
|
1OJP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ojp by Molmil](/molmil-images/mine/1ojp) | |
1R16
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r16 by Molmil](/molmil-images/mine/1r16) | Aplysia ADP ribosyl cyclase with bound pyridylcarbinol and R5P | 分子名称: | 3-PYRIDINYLCARBINOL, ADP-ribosyl cyclase, ANY 5'-MONOPHOSPHATE NUCLEOTIDE | 著者 | Love, M.L, Szebenyi, D.M.E, Kriksunov, I.A, Thiel, D.J, Munshi, C, Graeff, R, Lee, H.C, Hao, Q. | 登録日 | 2003-09-23 | 公開日 | 2004-03-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | ADP-ribosyl cyclase; crystal structures reveal a covalent intermediate. Structure, 12, 2004
|
|
1Y27
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y27 by Molmil](/molmil-images/mine/1y27) | G-riboswitch-guanine complex | 分子名称: | Bacillus subtilis xpt, GUANINE | 著者 | Serganov, A, Yuan, Y.R, Patel, D.J. | 登録日 | 2004-11-20 | 公開日 | 2004-12-28 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for Discriminative Regulation of Gene Expression by Adenine- and Guanine-Sensing mRNAs Chem.Biol., 11, 2004
|
|
4FER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fer by Molmil](/molmil-images/mine/4fer) | Crystal structure of Bacillus Subtilis expansin (EXLX1) in complex with cellohexaose | 分子名称: | ACETIC ACID, Expansin-yoaJ, GLYCEROL, ... | 著者 | Georgelis, N, Yennawar, N.H, Cosgrove, D.J. | 登録日 | 2012-05-30 | 公開日 | 2012-08-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | Structural basis for entropy-driven cellulose binding by a type-A cellulose-binding module (CBM) and bacterial expansin. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6Q4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q4c by Molmil](/molmil-images/mine/6q4c) | CDK2 in complex with FragLite16 | 分子名称: | 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
|
|
6Q4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q4f by Molmil](/molmil-images/mine/6q4f) | CDK2 in complex with FragLite32 | 分子名称: | Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
|
|
6Q4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q4a by Molmil](/molmil-images/mine/6q4a) | CDK2 in complex with FragLite14 | 分子名称: | 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2 | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
|
|
6Q4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q4i by Molmil](/molmil-images/mine/6q4i) | CDK2 in complex with FragLite35 | 分子名称: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | 著者 | Wood, D.J, Martin, M.P, Noble, M.E.M. | 登録日 | 2018-12-05 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
|
|
1Y8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y8d by Molmil](/molmil-images/mine/1y8d) | Dimeric parallel-stranded tetraplex with 3+1 5' G-tetrad interface, single-residue chain reversal loops and GAG triad in the context of A(GGGG) pentad | 分子名称: | 5'-D(*GP*GP*GP*GP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*GP*T)-3' | 著者 | Phan, A.T, Kuryavyi, V.V, Ma, J.-B, Faure, A, Andreola, M.-L, Patel, D.J. | 登録日 | 2004-12-11 | 公開日 | 2005-02-01 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | An interlocked dimeric parallel-stranded DNA quadruplex: A potent inhibitor of HIV-1 integrase Proc.Natl.Acad.Sci.USA, 102, 2005
|
|
1R9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1r9f by Molmil](/molmil-images/mine/1r9f) | Crystal structure of p19 complexed with 19-bp small interfering RNA | 分子名称: | 5'-R(*CP*GP*UP*AP*CP*GP*CP*GP*GP*AP*AP*UP*AP*CP*UP*UP*CP*GP*AP*UP*U)-3', 5'-R(*UP*CP*GP*AP*AP*GP*UP*AP*UP*UP*CP*CP*GP*CP*GP*UP*AP*CP*GP*UP*U)-3', Core protein P19, ... | 著者 | Ye, K, Malinina, L, Patel, D.J. | 登録日 | 2003-10-28 | 公開日 | 2004-01-27 | 最終更新日 | 2021-10-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Recognition of small interfering RNA by a viral suppressor of RNA Nature, 426, 2003
|
|
1Y58
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y58 by Molmil](/molmil-images/mine/1y58) | |
4GUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gux by Molmil](/molmil-images/mine/4gux) | Crystal structure of trypsin:MCoTi-II complex | 分子名称: | ACETATE ION, CALCIUM ION, Cationic trypsin, ... | 著者 | King, G.J, Daly, N.L, Thorstholm, L, Greenwood, K.P, Rosengren, K.J, Heras, B, Craik, D.J, Martin, J.L. | 登録日 | 2012-08-30 | 公開日 | 2013-09-04 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | 主引用文献 | Structural insights into the role of the cyclic backbone in a squash trypsin inhibitor J.Biol.Chem., 288, 2013
|
|
6QH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qh6 by Molmil](/molmil-images/mine/6qh6) | AP2 clathrin adaptor core with two cargo peptides in open+ conformation | 分子名称: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | 著者 | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | 登録日 | 2019-01-15 | 公開日 | 2019-09-04 | 最終更新日 | 2022-12-07 | 実験手法 | X-RAY DIFFRACTION (5 Å) | 主引用文献 | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation. Dev.Cell, 50, 2019
|
|
4GZ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gz5 by Molmil](/molmil-images/mine/4gz5) | Crystal structure of human O-GlcNAc Transferase with UDP-GlcNAc | 分子名称: | SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | 著者 | Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S. | 登録日 | 2012-09-06 | 公開日 | 2012-10-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.075 Å) | 主引用文献 | Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat.Chem.Biol., 8, 2012
|
|
1Y2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y2o by Molmil](/molmil-images/mine/1y2o) | Structure of N-terminal domain IRSp53/BAIAP2 | 分子名称: | BAI1-associated protein 2 isoform 1 | 著者 | Millard, T.H, Bompard, G, Heung, M.-Y, Dafforn, T.R, Scott, D.J, Machesky, L.M, Futterer, K. | 登録日 | 2004-11-23 | 公開日 | 2005-02-15 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of filopodia formation induced by the IRSp53/MIM homology domain of human IRSp53 Embo J., 24, 2005
|
|
4GSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gsj by Molmil](/molmil-images/mine/4gsj) | Crystal structure of Atg7 NTD K14A F16A D18A mutant | 分子名称: | CITRIC ACID, ISOPROPYL ALCOHOL, Ubiquitin-like modifier-activating enzyme ATG7 | 著者 | Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A. | 登録日 | 2012-08-27 | 公開日 | 2012-11-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.695 Å) | 主引用文献 | Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures. Nat.Struct.Mol.Biol., 19, 2012
|
|
1Y5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1y5c by Molmil](/molmil-images/mine/1y5c) | |
1ORX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1orx by Molmil](/molmil-images/mine/1orx) | Solution Structure of the acyclic permutant des-(24-28)-kalata B1. | 分子名称: | kalata B1 | 著者 | Barry, D.G, Daly, N.L, Clark, R.J, Sando, L, Craik, D.J. | 登録日 | 2003-03-17 | 公開日 | 2003-06-24 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | Linearization of a naturally occurring circular protein maintains structure but eliminates hemolytic activity Biochemistry, 42, 2003
|
|