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8WD0
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BU of 8wd0 by Molmil
Crystal structure of T2R-TTL-Erianin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, CALCIUM ION, ...
Authors:Yang, J.
Deposit date:2023-09-14
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The cytotoxic natural compound erianin binds to colchicine site of beta-tubulin and overcomes taxane resistance
Bioorg.Chem., 150, 2024
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
Descriptor: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
Authors:Song, G, Xu, S.
Deposit date:2022-08-06
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
7YKS
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BU of 7yks by Molmil
Structure of TRPA1 in Drosophila melanogaster in a state with 5 ankyrin repeats determined
Descriptor: Transient receptor potential cation channel subfamily A member 1
Authors:Sun, L, Liu, X, Yang, Z, Wang, X.
Deposit date:2022-07-23
Release date:2023-07-26
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular architecture and gating mechanisms of the Drosophila TRPA1 channel.
Cell Discov, 9, 2023
7YKR
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BU of 7ykr by Molmil
Structure of TRPA1 in Drosophila melanogaster in a state with 17 ankyrin repeats determined
Descriptor: Transient receptor potential cation channel subfamily A member 1
Authors:Sun, L, Liu, X, Yang, Z, Wang, X.
Deposit date:2022-07-23
Release date:2023-07-26
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular architecture and gating mechanisms of the Drosophila TRPA1 channel.
Cell Discov, 9, 2023
6MJZ
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BU of 6mjz by Molmil
Cryo-EM structure of Human Parainfluenza Virus Type 3 (hPIV3) in complex with antibody PIA174
Descriptor: Fusion glycoprotein F0, PIA174 Fab Heavy chain, PIA174 Fab Light chain
Authors:Acharya, P, Stewart-Jones, G, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-09-24
Release date:2018-11-14
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure-based design of a quadrivalent fusion glycoprotein vaccine for human parainfluenza virus types 1-4.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CUF
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BU of 6cuf by Molmil
Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody vFP1.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-03-26
Release date:2018-07-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
6CUE
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BU of 6cue by Molmil
Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody vFP7.04 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-03-26
Release date:2018-07-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
7VPB
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BU of 7vpb by Molmil
Crystal structure of a novel hydrolase in apo form
Descriptor: 4-(2-hydroxyethylcarbamoyl)benzoic acid, ACETATE ION, plastic degrading hydrolase Ple629
Authors:Wu, P, Zhao, Y.P, Li, Z.S, Ingrid, M.C, Lara, P, Gao, J, Han, X, Li, Q, Basak, O, Liu, W.D, Wei, R.
Deposit date:2021-10-15
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural insight and engineering of a plastic degrading hydrolase Ple629.
Biochem.Biophys.Res.Commun., 626, 2022
5TKJ
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BU of 5tkj by Molmil
Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide residue 512-519, SULFATE ION, vFP1.01 chimeric mouse antibody heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5TKK
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BU of 5tkk by Molmil
Structure of mouse vaccination-elicited HIV neutralizing antibody vFP5.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide residue 512-519, mouse antibody vFP5.01 heavy chain, mouse antibody vFP5.01 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2016-10-06
Release date:2018-04-04
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
7XDQ
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BU of 7xdq by Molmil
Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7XDR
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BU of 7xdr by Molmil
Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens
Descriptor: Glucosylglycerol phosphorylase
Authors:Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
Deposit date:2022-03-28
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
4R1F
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BU of 4r1f by Molmil
Re-refined Human DNA topoisomerase IIa (ATPase and transducer domains) in complex with ADP and SO4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-alpha, GLYCEROL, ...
Authors:Stanger, F.V, Schirmer, T.
Deposit date:2014-08-05
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure of the N-Terminal Gyrase B Fragment in Complex with ADPPi Reveals Rigid-Body Motion Induced by ATP Hydrolysis
Plos One, 9, 2014
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
5Y14
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BU of 5y14 by Molmil
Crystal structure of LP-40/N44
Descriptor: LP-40, N44
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-07-19
Release date:2017-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Enfuvirtide (T20)-Based Lipopeptide Is a Potent HIV-1 Cell Fusion Inhibitor: Implications for Viral Entry and Inhibition
J. Virol., 91, 2017
5Z0W
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BU of 5z0w by Molmil
Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N36)
Descriptor: peptide-C, peptide-N
Authors:Liu, Z.X, Qin, B, Cui, S.
Deposit date:2017-12-21
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Mechanism of HIV-1 Resistance to an Electronically Constrained alpha-Helical Peptide Membrane Fusion Inhibitor
J. Virol., 92, 2018
8K79
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BU of 8k79 by Molmil
Crystal structure of c-SRC kinase domain bound by TPX-0022
Descriptor: Elzovantinib, Proto-oncogene tyrosine-protein kinase Src
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
8K78
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BU of 8k78 by Molmil
Crystal structure of cMET kinase domain bound by TPX-0022
Descriptor: Elzovantinib, Hepatocyte growth factor receptor
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2023-07-26
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural insight into the macrocyclic inhibitor TPX-0022 of c-Met and c-Src.
Comput Struct Biotechnol J, 21, 2023
7DP8
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BU of 7dp8 by Molmil
Crystal structure of T2R-TTL-Cevipabulin-eribulin complex
Descriptor: (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, ...
Authors:Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
Deposit date:2020-12-18
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.446 Å)
Cite:Cevipabulin-tubulin complex reveals a novel agent binding site on alpha-tubulin with tubulin degradation effect.
Sci Adv, 7, 2021
8JMZ
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BU of 8jmz by Molmil
FGFR1 kinase domain with sulfatinib
Descriptor: Fibroblast growth factor receptor 1, GLYCEROL, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide, ...
Authors:Chen, X.J, Lin, Q.M, Chen, Y.H.
Deposit date:2023-06-05
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.988 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
Authors:Wang, W.H, Jiang, T.
Deposit date:2008-07-07
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
8JOT
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BU of 8jot by Molmil
Crystal structure of CSF-1R kinase domain with sulfatinib
Descriptor: GLYCEROL, Macrophage colony-stimulating factor 1 receptor, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
Authors:Lin, Q.M, Chen, X.J, Chen, Y.H.
Deposit date:2023-06-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis and selectivity of sulfatinib binding to FGFR and CSF-1R.
Commun Chem, 7, 2024
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
Descriptor: 3C-like proteinase
Authors:Yi, Y, Zhang, M, Ye, M.
Deposit date:2021-08-21
Release date:2022-06-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
3ON9
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BU of 3on9 by Molmil
The SECRET domain from Ectromelia virus
Descriptor: Tumour necrosis factor receptor
Authors:Wang, X.Q, Xue, X.G, Wang, D.L.
Deposit date:2010-08-28
Release date:2011-08-17
Last modified:2013-06-26
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural basis of chemokine sequestration by CrmD, a poxvirus-encoded tumor necrosis factor receptor
Plos Pathog., 7, 2011
3ONA
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BU of 3ona by Molmil
The SECRET domain in complex with CX3CL1
Descriptor: CX3CL1 protein, Tumour necrosis factor receptor
Authors:Wang, X.Q, Xue, X.G, Wang, D.L.
Deposit date:2010-08-28
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of chemokine sequestration by CrmD, a poxvirus-encoded tumor necrosis factor receptor
Plos Pathog., 7, 2011

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PDB entries from 2024-09-04

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