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8HPA
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BU of 8hpa by Molmil
Monkeypox virus DNA replication holoenzyme F8, A22 and E4 complex in a DNA binding form
分子名称: 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, ...
著者Xu, Y, Wu, Y, Zhang, Y, Fan, R, Yang, Y, Li, D, Yang, B, Zhang, Z, Dong, C.
登録日2022-12-12
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Structure of DNA replication machinery from human monkeypox virus
To Be Published
6KZD
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BU of 6kzd by Molmil
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
分子名称: 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
著者Wang, Y, Zhang, Z.M.
登録日2019-09-23
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献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
4LH9
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BU of 4lh9 by Molmil
Crystal structure of the refolded hood domain (Asp256-Gly295) of HetR
分子名称: Heterocyst differentiation control protein
著者Hu, H.X, Jiang, Y.L, Zhao, M.X, Chen, Y, Zhou, C.Z.
登録日2013-07-01
公開日2013-07-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Structural and biochemical analyses of Anabaena HetR reveal insights into the cyanobacterial heterocyst development and pattern formation
To be Published
7DAF
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BU of 7daf by Molmil
IXA in complex with tubulin
分子名称: (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, ...
著者Wu, C, Wang, Y.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
7DAD
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BU of 7dad by Molmil
EPD in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Wang, Y, Wu, C.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献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
7DAE
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BU of 7dae by Molmil
EPB in complex with tubulin
分子名称: 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, ...
著者Wu, C, Wang, Y.
登録日2020-10-16
公開日2021-03-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献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
4JAN
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BU of 4jan by Molmil
crystal structure of broadly neutralizing antibody CH103 in complex with HIV-1 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
著者Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
登録日2013-02-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
7W07
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BU of 7w07 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate, Space group C121.
分子名称: 2-methylidenebutanedioic acid, SULFATE ION, Transcriptional regulator, ...
著者Sun, P.K, Wang, B, Li, X.J.
登録日2021-11-17
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
7W08
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BU of 7w08 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in APO form, Space group P1.
分子名称: Transcriptional regulator, LysR family
著者Sun, P.K, Wang, B, Li, X.J.
登録日2021-11-17
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
7W06
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BU of 7w06 by Molmil
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate (SeMet labeled), Space group C121.
分子名称: 2-methylidenebutanedioic acid, CHLORIDE ION, SULFATE ION, ...
著者Sun, P.K, Wang, B, Wang, Z.X, Qi, S, Li, X.J.
登録日2021-11-17
公開日2022-10-26
最終更新日2022-11-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages.
Nat Commun, 13, 2022
3CPE
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BU of 3cpe by Molmil
Crystal Structure of T4 gp17
分子名称: DNA packaging protein Gp17, PHOSPHATE ION, SODIUM ION
著者Sun, S, Rossmann, M.G.
登録日2008-03-31
公開日2009-01-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of the phage T4 DNA packaging motor suggests a mechanism dependent on electrostatic forces
Cell(Cambridge,Mass.), 135, 2008
7WSI
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BU of 7wsi by Molmil
Cryo-EM structure of human NTCP (wild-type) complexed with YN69202Fab
分子名称: Fab heavy chain from antibody IgG clone number YN69202, Fab light chain from antibody IgG clone number YN69202, Sodium/bile acid cotransporter
著者Asami, J, Shimizu, T, Ohto, U.
登録日2022-01-29
公開日2022-05-25
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Structure of the bile acid transporter and HBV receptor NTCP.
Nature, 606, 2022
3DWS
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BU of 3dws by Molmil
Leishmania major Coproporphyrinogen III Oxidase with bound ligand
分子名称: 5-fluoroindole-2-carboxylic acid, ACETATE ION, Coproporphyrinogen III oxidase
著者Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2008-07-22
公開日2008-09-09
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Leishmania major Coproporphyrinogen III Oxidase with bound ligand
To be Published
7U0R
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BU of 7u0r by Molmil
Crystal structure of Methanomethylophilus alvus PylRS(N166A/V168A) complexed with meta-trifluoromethyl-2-benzylmalonate and AMP-PNP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Swenson, C.V, Roe, L.T, Fricke, R.C.B, Smaga, S.S, Gee, C.L, Schepartz, A.
登録日2022-02-18
公開日2023-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
3DWR
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BU of 3dwr by Molmil
Leishmania major coproporphyrinogen III oxidase with bound ligand
分子名称: ACETATE ION, Coproporphyrinogen III oxidase, cyclopentylacetic acid
著者Le Trong, I, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2008-07-22
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Leishmania major coproporphyrinogen III oxidase with bound ligand
To be Published
7WMW
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BU of 7wmw by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis
分子名称: Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMX
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BU of 7wmx by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5,10-methylenetetrahydrofolate
分子名称: Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.264 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMY
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BU of 7wmy by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5-methyltetrahydrofolate
分子名称: methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.266 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
2H4M
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BU of 2h4m by Molmil
Karyopherin Beta2/Transportin-M9NLS
分子名称: Heterogeneous nuclear ribonucleoprotein A1, Transportin-1
著者Chook, Y.M, Cansizoglu, A.E.
登録日2006-05-24
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Rules for nuclear localization sequence recognition by karyopherin beta 2.
Cell(Cambridge,Mass.), 126, 2006
7EN3
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BU of 7en3 by Molmil
Crystal structure of tubulin in complex with Tubulysin analogue TGL
分子名称: (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, ...
著者Wang, Y, Li, W.
登録日2021-04-15
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.643 Å)
主引用文献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
7WMZ
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BU of 7wmz by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
著者Lin, W, Wang, W.
登録日2022-01-17
公開日2023-01-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.916 Å)
主引用文献Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
4JAM
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BU of 4jam by Molmil
Crystal structure of broadly neutralizing anti-hiv-1 antibody ch103
分子名称: 1,2-ETHANEDIOL, ANTIGEN BINDING FRAGMENT OF HEAVY CHAIN of CH103, ANTIGEN BINDING FRAGMENT OF LIGHT CHAIN of CH103, ...
著者Zhou, T, Moquin, S, Zheng, A, Srivatsan, S, Kwong, P.D.
登録日2013-02-18
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Co-evolution of a broadly neutralizing HIV-1 antibody and founder virus.
Nature, 496, 2013
7EY5
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BU of 7ey5 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6PV2 in complex with BD-771 Fab and BD-821 Fab
分子名称: BD-771H, BD-771L, BD-821H, ...
著者Zhang, Z.Y.
登録日2021-05-29
公開日2021-09-08
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants.
Cell Res., 31, 2021
5YOF
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BU of 5yof by Molmil
Crystal structure of zika virus NS3 protease in complex with a dipeptide inhibitor
分子名称: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, NS2B cofactor, NS3 Protease
著者Phoo, W.W, Zhang, Z.Z.
登録日2017-10-27
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
5YB1
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BU of 5yb1 by Molmil
Structure and function of human serum albumin-metal agent complex
分子名称: 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
著者Yang, F, Wang, T, Wang, J, Gou, Y, Zhang, Z.L.
登録日2017-09-02
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.616 Å)
主引用文献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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