3TL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tl9 by Molmil](/molmil-images/mine/3tl9) | crystal structure of HIV protease model precursor/Saquinavir complex | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ... | 著者 | Agniswamy, J, Sayer, J, Weber, I, Louis, J. | 登録日 | 2011-08-29 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Biochemistry, 51, 2012
|
|
3TKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tkw by Molmil](/molmil-images/mine/3tkw) | Crystal structure of HIV protease model precursor/Darunavir complex | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, GLYCEROL, ... | 著者 | Agniswamy, J, Sayer, J, Weber, I, Louis, J. | 登録日 | 2011-08-29 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Biochemistry, 51, 2012
|
|
3TKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tkg by Molmil](/molmil-images/mine/3tkg) | crystal structure of HIV model protease precursor/saquinavir complex | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, GLYCEROL, ... | 著者 | Agniswamy, J, Sayer, J, Weber, I, Louis, J. | 登録日 | 2011-08-26 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease. Biochemistry, 51, 2012
|
|
6Y6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y6o by Molmil](/molmil-images/mine/6y6o) | Structure of mature activin A with small molecule 42 | 分子名称: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | 著者 | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | 登録日 | 2020-02-26 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
|
|
6Y6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y6n by Molmil](/molmil-images/mine/6y6n) | Structure of mature activin A with small molecule 2 | 分子名称: | (3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | 著者 | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | 登録日 | 2020-02-26 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
|
|
7T2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t2p by Molmil](/molmil-images/mine/7t2p) | |
7T4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t4g by Molmil](/molmil-images/mine/7t4g) | |
3BZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bzh by Molmil](/molmil-images/mine/3bzh) | Crystal structure of human ubiquitin-conjugating enzyme E2 E1 | 分子名称: | GLYCEROL, Ubiquitin-conjugating enzyme E2 E1 | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2008-01-18 | 公開日 | 2008-02-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
|
|
4F43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f43 by Molmil](/molmil-images/mine/4f43) | |
4F41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f41 by Molmil](/molmil-images/mine/4f41) | |
4A2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a2w by Molmil](/molmil-images/mine/4a2w) | Structure of full-length duck RIG-I | 分子名称: | RETINOIC ACID INDUCIBLE PROTEIN I | 著者 | Kowalinski, E, Lunardi, T, McCarthy, A.A, Cusack, S. | 登録日 | 2011-09-29 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Structural Basis for the Activation of Innate Immune Pattern Recognition Receptor Rig-I by Viral RNA. Cell(Cambridge,Mass.), 147, 2011
|
|
4A36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a36 by Molmil](/molmil-images/mine/4a36) | Structure of duck RIG-I helicase domain bound to 19-mer dsRNA and ATP transition state analogue | 分子名称: | 5'-R(*GP*CP*AP*UP*GP*CP*GP*AP*CP*CP*UP*CP*UP*GP *UP*UP*UP*GP*A)-3', 5'-R(*UP*CP*AP*AP*AP*CP*AP*GP*AP*GP*GP*UP*CP*GP *CP*AP*UP*GP*C)-3', ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Kowalinski, E, Lunardi, T, McCarthy, A.A, Cusack, S. | 登録日 | 2011-09-30 | 公開日 | 2011-10-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Structural Basis for the Activation of Innate Immune Pattern Recognition Receptor Rig-I by Viral RNA. Cell(Cambridge,Mass.), 147, 2011
|
|
4A2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a2v by Molmil](/molmil-images/mine/4a2v) | Structure of duck RIG-I C-terminal domain (CTD) | 分子名称: | GLYCEROL, RETINOIC ACID INDUCIBLE PROTEIN I, ZINC ION | 著者 | Kowalinski, E, Lunardi, T, McCarthy, A.A, Cusack, S. | 登録日 | 2011-09-29 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Structural Basis for the Activation of Innate Immune Pattern Recognition Receptor Rig-I by Viral RNA. Cell(Cambridge,Mass.), 147, 2011
|
|
4A2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a2p by Molmil](/molmil-images/mine/4a2p) | Structure of duck RIG-I helicase domain | 分子名称: | RETINOIC ACID INDUCIBLE PROTEIN I | 著者 | Kowalinski, E, Lunardi, T, McCarthy, A.A, Cusack, S. | 登録日 | 2011-09-28 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Basis for the Activation of Innate Immune Pattern Recognition Receptor Rig-I by Viral RNA. Cell(Cambridge,Mass.), 147, 2011
|
|
4I0Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i0z by Molmil](/molmil-images/mine/4i0z) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | 分子名称: | 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION | 著者 | Lougheed, J.C, Brecht, E, Yao, N.H. | 登録日 | 2012-11-19 | 公開日 | 2013-03-06 | 最終更新日 | 2013-04-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
|
|
4HZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hzi by Molmil](/molmil-images/mine/4hzi) | |
2AWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2awf by Molmil](/molmil-images/mine/2awf) | Structure of human Ubiquitin-conjugating enzyme E2 G1 | 分子名称: | Ubiquitin-conjugating enzyme E2 G1 | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty, P, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2005-09-01 | 公開日 | 2005-09-20 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
|
|
4A2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a2x by Molmil](/molmil-images/mine/4a2x) | Structure of duck RIG-I C-terminal domain (CTD) with 14-mer dSRNA | 分子名称: | 5'-R(*CP*GP*CP*GP*UP*UP*GP*UP*UP*CP*UP*CP*CP*CP)-3', 5'-R(*GP*GP*GP*AP*GP*AP*AP*CP*AP*AP*CP*GP*CP*GP)-3', RETINOIC ACID INDUCIBLE PROTEIN I, ... | 著者 | Kowalinski, E, Lunardi, T, McCarthy, A.A, Cusack, S. | 登録日 | 2011-09-29 | 公開日 | 2011-10-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Structural basis for the activation of innate immune pattern-recognition receptor RIG-I by viral RNA. Cell, 147, 2011
|
|
4A2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a2q by Molmil](/molmil-images/mine/4a2q) | Structure of duck RIG-I tandem CARDs and helicase domain | 分子名称: | RETINOIC ACID INDUCIBLE PROTEIN I | 著者 | Kowalinski, E, Lunardi, T, McCarthy, A.A, Cusack, S. | 登録日 | 2011-09-28 | 公開日 | 2011-10-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structural Basis for the Activation of Innate Immune Pattern Recognition Receptor Rig-I by Viral RNA. Cell(Cambridge,Mass.), 147, 2011
|
|
4I10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i10 by Molmil](/molmil-images/mine/4i10) | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates | 分子名称: | 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION | 著者 | Lougheed, J.C, Brecht, E, Yao, N.H. | 登録日 | 2012-11-19 | 公開日 | 2013-03-06 | 最終更新日 | 2013-04-24 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. Bioorg.Med.Chem.Lett., 23, 2013
|
|
2F4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2f4w by Molmil](/molmil-images/mine/2f4w) | Human ubiquitin-conjugating enzyme E2 J2 | 分子名称: | ubiquitin-conjugating enzyme E2, J2 | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Finerty Jr, P.J, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2005-11-24 | 公開日 | 2005-12-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
|
|
7OY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oy4 by Molmil](/molmil-images/mine/7oy4) | VDR complex of a side-chain hydroxylated derivatives of lithocholic acid | 分子名称: | (3S,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2021-06-23 | 公開日 | 2021-09-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR). Bioorg.Chem., 115, 2021
|
|
7OXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oxz by Molmil](/molmil-images/mine/7oxz) | VDR complex with a side-chain hydroxylated derivative of lithocholic acid | 分子名称: | (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | 著者 | Rochel, N. | 登録日 | 2021-06-23 | 公開日 | 2021-09-01 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR). Bioorg.Chem., 115, 2021
|
|
1YRV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yrv by Molmil](/molmil-images/mine/1yrv) | Novel Ubiquitin-Conjugating Enzyme | 分子名称: | ubiquitin-conjugating ligase MGC351130 | 著者 | Walker, J.R, Choe, J, Avvakumov, G.V, Newman, E.M, MacKenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2005-02-04 | 公開日 | 2005-03-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
|
|
2A7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a7l by Molmil](/molmil-images/mine/2a7l) | Structure of the human hypothetical ubiquitin-conjugating enzyme, LOC55284 | 分子名称: | Hypothetical ubiquitin-conjugating enzyme LOC55284, SODIUM ION | 著者 | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | 登録日 | 2005-07-05 | 公開日 | 2005-09-06 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
|
|