7T2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7t2i by Molmil](/molmil-images/mine/7t2i) | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588 | 分子名称: | 1,2-ETHANEDIOL, 4-(6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine, DIMETHYL SULFOXIDE, ... | 著者 | Karim, M.R, Schonbrunn, E. | 登録日 | 2021-12-04 | 公開日 | 2022-01-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588 To Be Published
|
|
7Z2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z2h by Molmil](/molmil-images/mine/7z2h) | Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine | 分子名称: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H, ... | 著者 | Singh, A.K, Das, K. | 登録日 | 2022-02-27 | 公開日 | 2022-07-20 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | 主引用文献 | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Z2G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z2g by Molmil](/molmil-images/mine/7z2g) | Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine | 分子名称: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H | 著者 | Singh, A.K, Das, K. | 登録日 | 2022-02-26 | 公開日 | 2022-07-20 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | 主引用文献 | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Z24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z24 by Molmil](/molmil-images/mine/7z24) | Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with nevirapine | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (38-mer), Reverse transcriptase/ribonuclease H | 著者 | Singh, A.K, Das, K. | 登録日 | 2022-02-25 | 公開日 | 2022-07-20 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.32 Å) | 主引用文献 | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7Z2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z2d by Molmil](/molmil-images/mine/7z2d) | |
7Z2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z2e by Molmil](/molmil-images/mine/7z2e) | |
7Z29
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z29 by Molmil](/molmil-images/mine/7z29) | Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with nevirapine | 分子名称: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, DNA (38-MER), Reverse transcriptase/ribonuclease H, ... | 著者 | Singh, A.K, Das, K. | 登録日 | 2022-02-26 | 公開日 | 2022-07-20 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.38 Å) | 主引用文献 | Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
5OJS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ojs by Molmil](/molmil-images/mine/5ojs) | |
5LDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ldz by Molmil](/molmil-images/mine/5ldz) | Quadruple space group ambiguity due to rotational and translational non-crystallographic symmetry in human liver fructose-1,6-bisphosphatase | 分子名称: | CHLORIDE ION, Fructose-1,6-bisphosphatase 1, SULFATE ION, ... | 著者 | Ruf, A, Tetaz, T, Schott, B, Joseph, C, Rudolph, M.G. | 登録日 | 2016-06-29 | 公開日 | 2016-10-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Quadruple space-group ambiguity owing to rotational and translational noncrystallographic symmetry in human liver fructose-1,6-bisphosphatase. Acta Crystallogr D Struct Biol, 72, 2016
|
|
1UZG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uzg by Molmil](/molmil-images/mine/1uzg) | CRYSTAL STRUCTURE OF THE DENGUE TYPE 3 VIRUS ENVELOPE PROTEIN | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAJOR ENVELOPE PROTEIN E, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Modis, Y, Harrison, S.C. | 登録日 | 2004-03-11 | 公開日 | 2005-03-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Variable Surface Epitopes in the Crystal Structure of Dengue Virus Type 3 Envelope Glycoprotein J.Virol., 79, 2005
|
|
2I5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2i5w by Molmil](/molmil-images/mine/2i5w) | |
7U0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u0t by Molmil](/molmil-images/mine/7u0t) | Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520 | 分子名称: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2022-02-18 | 公開日 | 2022-08-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus. Mbio, 13, 2022
|
|
6WJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wjd by Molmil](/molmil-images/mine/6wjd) | |
8P0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p0f by Molmil](/molmil-images/mine/8p0f) | Crystal structure of the VCB complex with compound 1. | 分子名称: | (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ... | 著者 | Bader, G, Boettcher, J, Wolkerstorfer, B. | 登録日 | 2023-05-10 | 公開日 | 2023-05-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders Chemrxiv, 2023
|
|
4ONQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4onq by Molmil](/molmil-images/mine/4onq) | |
6K3A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k3a by Molmil](/molmil-images/mine/6k3a) | |
5HD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hd7 by Molmil](/molmil-images/mine/5hd7) | Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | 分子名称: | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | 著者 | Jha, S, Morris, E.J, Hruza, A, Mansueto, M.S, Schroeder, G, Arbanas, J, McMasters, D, Restaino, C.R, Dayananth, R, Black, S, Elsen, N.L, Mannarino, A, Cooper, A, Fawell, S, Zawel, L, Jayaraman, L, Samatar, A.A. | 登録日 | 2016-01-04 | 公開日 | 2016-02-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Dissecting Therapeutic Resistance to ERK Inhibition. Mol.Cancer Ther., 15, 2016
|
|
3KK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kk2 by Molmil](/molmil-images/mine/3kk2) | HIV-1 reverse transcriptase-DNA complex with dATP bound in the nucleotide binding site | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*A*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*AP*CP*A*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', ... | 著者 | Lansdon, E.B. | 登録日 | 2009-11-04 | 公開日 | 2010-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex. J.Mol.Biol., 397, 2010
|
|
7KSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ksf by Molmil](/molmil-images/mine/7ksf) | Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase (native) | 分子名称: | CALCIUM ION, Protease/Reverse transcriptase/ribonuclease H | 著者 | Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E. | 登録日 | 2020-11-21 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT). Viruses, 13, 2021
|
|
5EAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eap by Molmil](/molmil-images/mine/5eap) | Crystal structure of human WDR5 in complex with compound 9e | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-10-16 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
|
|
5EAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ear by Molmil](/molmil-images/mine/5ear) | Crystal structure of human WDR5 in complex with compound 9d | 分子名称: | 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ... | 著者 | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-10-16 | 公開日 | 2015-11-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
|
|
3KJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kjv by Molmil](/molmil-images/mine/3kjv) | HIV-1 reverse transcriptase in complex with DNA | 分子名称: | 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', 5'-D(*AP*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ... | 著者 | Lansdon, E.B. | 登録日 | 2009-11-03 | 公開日 | 2010-03-23 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex. J.Mol.Biol., 397, 2010
|
|
4RJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rjf by Molmil](/molmil-images/mine/4rjf) | |
1IOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ioz by Molmil](/molmil-images/mine/1ioz) | Crystal Structure of the C-HA-RAS Protein Prepared by the Cell-Free Synthesis | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, TRANSFORMING PROTEIN P21/H-RAS-1 | 著者 | Kigawa, T, Yamaguchi-Nunokawa, E, Kodama, K, Matsuda, T, Yabuki, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2001-04-18 | 公開日 | 2001-10-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Selenomethionine incorporation into a protein by cell-free synthesis J.STRUCT.FUNCT.GENOM., 2, 2001
|
|
5ICP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5icp by Molmil](/molmil-images/mine/5icp) | CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone | 分子名称: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | 著者 | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | 登録日 | 2016-02-23 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
|
|