8HPA
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![BU of 8hpa by Molmil](/molmil-images/mine/8hpa) | Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in a DNA binding form | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ... | Authors: | Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C. | Deposit date: | 2022-12-12 | Release date: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.01 Å) | Cite: | Structure of DNA replication machinery from human monkeypox virus To Be Published
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6KZD
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![BU of 6kzd by Molmil](/molmil-images/mine/6kzd) | Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide | Descriptor: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION | Authors: | Wang, Y, Zhang, Z.M. | Deposit date: | 2019-09-23 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
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4LH9
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![BU of 4lh9 by Molmil](/molmil-images/mine/4lh9) | |
7DAF
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![BU of 7daf by Molmil](/molmil-images/mine/7daf) | IXA in complex with tubulin | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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7DAD
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![BU of 7dad by Molmil](/molmil-images/mine/7dad) | EPD in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wang, Y, Wu, C. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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7DAE
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![BU of 7dae by Molmil](/molmil-images/mine/7dae) | EPB in complex with tubulin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-[1-METHYL-2-(2-METHYL-THIAZOL-4-YL)VINYL]-4,17-DIOXABICYCLO[14.1.0]HEPTADECANE-5,9-DIONE, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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4JAN
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![BU of 4jan by Molmil](/molmil-images/mine/4jan) | crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. Nature, 496, 2013
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7W07
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![BU of 7w07 by Molmil](/molmil-images/mine/7w07) | Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate, Space group C121. | Descriptor: | 2-methylidenebutanedioic acid, SULFATE ION, Transcriptional regulator, ... | Authors: | Sun, P.K, Wang, B, Li, X.J. | Deposit date: | 2021-11-17 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages. Nat Commun, 13, 2022
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7W08
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7W06
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![BU of 7w06 by Molmil](/molmil-images/mine/7w06) | Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate (SeMet labeled), Space group C121. | Descriptor: | 2-methylidenebutanedioic acid, CHLORIDE ION, SULFATE ION, ... | Authors: | Sun, P.K, Wang, B, Wang, Z.X, Qi, S, Li, X.J. | Deposit date: | 2021-11-17 | Release date: | 2022-10-26 | Last modified: | 2022-11-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages. Nat Commun, 13, 2022
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3CPE
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![BU of 3cpe by Molmil](/molmil-images/mine/3cpe) | Crystal Structure of T4 gp17 | Descriptor: | DNA packaging protein Gp17, PHOSPHATE ION, SODIUM ION | Authors: | Sun, S, Rossmann, M.G. | Deposit date: | 2008-03-31 | Release date: | 2009-01-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces Cell(Cambridge,Mass.), 135, 2008
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7WSI
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![BU of 7wsi by Molmil](/molmil-images/mine/7wsi) | |
3DWS
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7U0R
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![BU of 7u0r by Molmil](/molmil-images/mine/7u0r) | Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A. | Deposit date: | 2022-02-18 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Expanding the substrate scope of pyrrolysyl-transfer RNA synthetase enzymes to include non-alpha-amino acids in vitro and in vivo. Nat.Chem., 15, 2023
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3DWR
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7WMW
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![BU of 7wmw by Molmil](/molmil-images/mine/7wmw) | |
7WMX
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![BU of 7wmx by Molmil](/molmil-images/mine/7wmx) | |
7WMY
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![BU of 7wmy by Molmil](/molmil-images/mine/7wmy) | |
2H4M
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![BU of 2h4m by Molmil](/molmil-images/mine/2h4m) | Karyopherin Beta2/Transportin-M9NLS | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, Transportin-1 | Authors: | Chook, Y.M, Cansizoglu, A.E. | Deposit date: | 2006-05-24 | Release date: | 2006-10-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rules for nuclear localization sequence recognition by karyopherin beta 2. Cell(Cambridge,Mass.), 126, 2006
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7EN3
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![BU of 7en3 by Molmil](/molmil-images/mine/7en3) | Crystal structure of tubulin in complex with Tubulysin analogue TGL | Descriptor: | (2S,4R)-5-(4-fluorophenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[5-methylhexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-04-15 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.643 Å) | Cite: | The X-ray structure of tubulysin analogue TGL in complex with tubulin and three possible routes for the development of next-generation tubulysin analogues. Biochem.Biophys.Res.Commun., 565, 2021
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7WMZ
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4JAM
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![BU of 4jam by Molmil](/molmil-images/mine/4jam) | Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103 | Descriptor: | 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ... | Authors: | Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D. | Deposit date: | 2013-02-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus. Nature, 496, 2013
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7EY5
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5YOF
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![BU of 5yof by Molmil](/molmil-images/mine/5yof) | |
5YB1
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![BU of 5yb1 by Molmil](/molmil-images/mine/5yb1) | Structure and function of human serum albumin-metal agent complex | Descriptor: | PALMITIC ACID, Serum albumin, ~{N},~{N},12-trimethyl-3$l^{3}-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-cupratricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,6,9,11-pentaen-4-amine | Authors: | Yang, F, Wang, T, Wang, J, Gou, Y, Zhang, Z.L. | Deposit date: | 2017-09-02 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.616 Å) | Cite: | Developing an Anticancer Copper(II) Multitarget Pro-Drug Based on the His146 Residue in the IB Subdomain of Modified Human Serum Albumin. Mol. Pharm., 15, 2018
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