4NUE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nue by Molmil](/molmil-images/mine/4nue) | Crystal structure of the first bromodomain of human BRD4 in complex with MS267 inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4 | 著者 | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | 登録日 | 2013-12-03 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains J.Med.Chem., 56, 2013
|
|
5QCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qck by Molmil](/molmil-images/mine/5qck) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid | 分子名称: | 1,2-ETHANEDIOL, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | 著者 | Sheriff, S. | 登録日 | 2017-08-10 | 公開日 | 2017-11-08 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
|
|
5QCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qcm by Molmil](/molmil-images/mine/5qcm) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2017-08-10 | 公開日 | 2017-11-08 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
|
|
6W50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w50 by Molmil](/molmil-images/mine/6w50) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2020-03-12 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species. J.Med.Chem., 63, 2020
|
|
5Q0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q0g by Molmil](/molmil-images/mine/5q0g) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-ethyl-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2017-05-01 | 公開日 | 2017-07-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5Q0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q0h by Molmil](/molmil-images/mine/5q0h) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2017-05-01 | 公開日 | 2017-07-12 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5Q0D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q0d by Molmil](/molmil-images/mine/5q0d) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2017-05-01 | 公開日 | 2017-07-12 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5Q0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5q0f by Molmil](/molmil-images/mine/5q0f) | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | 著者 | Sheriff, S. | 登録日 | 2017-05-01 | 公開日 | 2017-07-12 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
|
|
5JFB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jfb by Molmil](/molmil-images/mine/5jfb) | Crystal structure of the scavenger receptor cysteine-rich domain 5 (SRCR5) from porcine CD163 | 分子名称: | Scavenger receptor cysteine-rich type 1 protein M130 | 著者 | Ma, H, Jiang, L, Qiao, S, Zhang, G, Li, R. | 登録日 | 2016-04-19 | 公開日 | 2017-03-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Crystal Structure of the Fifth Scavenger Receptor Cysteine-Rich Domain of Porcine CD163 Reveals an Important Residue Involved in Porcine Reproductive and Respiratory Syndrome Virus Infection J. Virol., 91, 2017
|
|
4QB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qb3 by Molmil](/molmil-images/mine/4qb3) | Crystal structure of the first bromodomain of human BRD4 in complex with Olinone | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide | 著者 | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | 登録日 | 2014-05-06 | 公開日 | 2015-04-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (0.94 Å) | 主引用文献 | Selective chemical modulation of gene transcription favors oligodendrocyte lineage progression. Chem.Biol., 21, 2014
|
|
6ILK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ilk by Molmil](/molmil-images/mine/6ilk) | Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 7.4 | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | 著者 | Gao, G.F, Liu, S, Zhao, X, Peng, R. | 登録日 | 2018-10-18 | 公開日 | 2019-05-15 | 最終更新日 | 2019-11-06 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
|
|
6ILP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ilp by Molmil](/molmil-images/mine/6ilp) | Cryo-EM structure of full Echovirus 6 particle at PH 7.4 | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | 著者 | Gao, G.F, Liu, S, Zhao, X, Peng, R. | 登録日 | 2018-10-19 | 公開日 | 2019-05-15 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
|
|
6ILN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iln by Molmil](/molmil-images/mine/6iln) | Cryo-EM structure of full Echovirus 6 particle at PH 5.5 | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | 著者 | Gao, G.F, Liu, S, Zhao, X, Peng, R. | 登録日 | 2018-10-19 | 公開日 | 2019-05-15 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
|
|
5Y1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y1k by Molmil](/molmil-images/mine/5y1k) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(2-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | 分子名称: | (2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, GLYCEROL, M1 family aminopeptidase, ... | 著者 | Marapaka, A.K, Zhang, Y, Addlagatta, A. | 登録日 | 2017-07-20 | 公開日 | 2018-08-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
|
|
5Y1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y1q by Molmil](/molmil-images/mine/5y1q) | Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-(3-(3-chlorobenzyl)ureido)-N-hydroxy-4-methylpentanamide | 分子名称: | (2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide, M1 family aminopeptidase, MAGNESIUM ION, ... | 著者 | Marapaka, A.K, Zhang, Y, Addlagatta, A. | 登録日 | 2017-07-21 | 公開日 | 2018-08-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Development of peptidomimetic hydroxamates as PfA-M1 and PfA-M17 dual inhibitors: Biological evaluation and structural characterization by cocrystallization Chin.Chem.Lett., 33, 2022
|
|
4X6M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x6m by Molmil](/molmil-images/mine/4x6m) | |
4X6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x6n by Molmil](/molmil-images/mine/4x6n) | |
4X6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x6o by Molmil](/molmil-images/mine/4x6o) | |
4X6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x6p by Molmil](/molmil-images/mine/4x6p) | |
6ITX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6itx by Molmil](/molmil-images/mine/6itx) | |
6JDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jds by Molmil](/molmil-images/mine/6jds) | |
6JDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jdu by Molmil](/molmil-images/mine/6jdu) | Crystal structure of PRRSV nsp10 (helicase) | 分子名称: | CALCIUM ION, PP1b, ZINC ION | 著者 | Tang, C, Chen, Z. | 登録日 | 2019-02-02 | 公開日 | 2020-02-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure. Viruses, 12, 2020
|
|
6PLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6plf by Molmil](/molmil-images/mine/6plf) | Crystal structure of human PHGDH complexed with Compound 1 | 分子名称: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | 著者 | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | 登録日 | 2019-06-30 | 公開日 | 2019-07-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6DNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dne by Molmil](/molmil-images/mine/6dne) | Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS660 | 分子名称: | Bromodomain-containing protein 4, N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} | 著者 | Ren, C, Zhou, M.M. | 登録日 | 2018-06-06 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.958 Å) | 主引用文献 | Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6DJC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6djc by Molmil](/molmil-images/mine/6djc) | Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} | 著者 | Ren, C, Zhou, M.M. | 登録日 | 2018-05-25 | 公開日 | 2018-07-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|