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7BBJ
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BU of 7bbj by Molmil
CD73 in complex with the humanized antagonistic antibody mAb19
Descriptor: 5'-nucleotidase, MAGNESIUM ION, ZINC ION, ...
Authors:Boettcher, J, Han, F.
Deposit date:2020-12-17
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Novel Antagonistic CD73 Antibody for Inhibition of the Immunosuppressive Adenosine Pathway.
Mol.Cancer Ther., 20, 2021
3EUM
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BU of 3eum by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6066
Descriptor: 3,6-Bis[3-(azepan-1-yl)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-10
Release date:2008-10-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ERU
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BU of 3eru by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6045
Descriptor: 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
5TR8
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BU of 5tr8 by Molmil
Crystal structure of vaccine-elicited pan- influenza H1N1 neutralizing murine antibody 441D6.
Descriptor: 441D6 Fab Heavy chain, 441D6 Fab Light chain, NICKEL (II) ION
Authors:Joyce, M.G, Kanekiyo, M, Mascola, J.R, Graham, B.S, Kwong, P.D.
Deposit date:2016-10-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Mosaic nanoparticle display of diverse influenza virus hemagglutinins elicits broad B cell responses.
Nat.Immunol., 20, 2019
3EUI
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BU of 3eui by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6042 in a large unit cell
Descriptor: 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine, 3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', ...
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-10
Release date:2008-12-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
3ES0
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BU of 3es0 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6048
Descriptor: 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-10-03
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
5TZR
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BU of 5tzr by Molmil
GPR40 in complex with partial agonist MK-8666
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ...
Authors:Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
Deposit date:2016-11-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
4M4Y
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BU of 4m4y by Molmil
Crystal structure of a 2009 H1N1 influenza virus hemagglutinin with a stabilization mutation HA2 E47G
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 subunit, Hemagglutinin HA2 subunit, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-08-07
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
5U64
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BU of 5u64 by Molmil
Camel nanobody VHH-28
Descriptor: VHH-28
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2016-12-07
Release date:2017-09-20
Method:X-RAY DIFFRACTION (1.153 Å)
Cite:Selection of nanobodies with broad neutralizing potential against primary HIV-1 strains using soluble subtype C gp140 envelope trimers.
Sci Rep, 7, 2017
3FPO
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BU of 3fpo by Molmil
HSSNNF segment from Islet Amyloid Polypeptide (IAPP or Amylin)
Descriptor: HSSNNF hexapeptide segment from Islet Amyloid Polypeptide
Authors:Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D.
Deposit date:2009-01-05
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
7CWC
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BU of 7cwc by Molmil
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 2.1 A Resolution (P212121)
Descriptor: 3C-like proteinase
Authors:DeMirci, H.
Deposit date:2020-08-27
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
7CWB
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BU of 7cwb by Molmil
Ambient-Temperature Serial Femtosecond X-ray Crystal structure of SARS-CoV-2 Main Protease at 1.9 A Resolution (C121)
Descriptor: 3C-like proteinase
Authors:DeMirci, H.
Deposit date:2020-08-27
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing.
Structure, 29, 2021
3FF6
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BU of 3ff6 by Molmil
Human ACC2 CT domain with CP-640186
Descriptor: (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, Acetyl-CoA carboxylase 2
Authors:Williams, S.P, Madauss, K.P, Burkhart, W.A.
Deposit date:2008-12-02
Release date:2009-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The human ACC2 CT-domain C-terminus is required for full functionality and has a novel twist.
Acta Crystallogr.,Sect.D, 65, 2009
7CYL
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BU of 7cyl by Molmil
Crystal structure of Karyopherin-beta2 in complex with FUS PY-NLS(P525L)
Descriptor: RNA-binding protein FUS, Transportin-1
Authors:Yoshizawa, T, Chook, Y.M.
Deposit date:2020-09-03
Release date:2021-02-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of karyopherin-beta 2 binding and nuclear import of ALS variants FUS(P525L) and FUS(R495X).
Sci Rep, 11, 2021
8BJS
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BU of 8bjs by Molmil
Apo KIF20A[55-510] crystal structure
Descriptor: Kinesin-like protein KIF20A, SULFATE ION, UNK-UNK-UNK-UNK
Authors:Ranaivoson, F.M, Kikuti, C, Crozet, V, Sirkia, M.E, Houdusse, A.
Deposit date:2022-11-06
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
8CT6
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BU of 8ct6 by Molmil
1F8 mAb in complex with the computationally optimized broadly reactive H1 influenza hemagglutinin P1
Descriptor: 1F8 heavy chain, 1F8 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dzimianski, J.V, DuBois, R.M.
Deposit date:2022-05-13
Release date:2023-04-19
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the broad protection against H1 influenza viruses by a computationally optimized hemagglutinin vaccine.
Commun Biol, 6, 2023
7M3I
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BU of 7m3i by Molmil
Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a neutralizing antibody, CV2-75 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV2-75 Fab Heavy chain, CV2-75 Fab Light chain, ...
Authors:Hurlburt, N.K, Pancera, M.
Deposit date:2021-03-18
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Isolation and characterization of cross-neutralizing coronavirus antibodies from COVID-19+ subjects.
Cell Rep, 36, 2021
6CPW
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BU of 6cpw by Molmil
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
Descriptor: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Hruza, A, Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
7PB2
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BU of 7pb2 by Molmil
Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK)
Descriptor: Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ...
Authors:Coles, C.H, Karuppiah, V, Robinson, R.A.
Deposit date:2021-07-30
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
Nat Commun, 13, 2022
7OW5
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BU of 7ow5 by Molmil
Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVVGAGGVGK)
Descriptor: Beta-2-microglobulin, KRAS peptide (VVVGAGGVGK), MHC class I antigen, ...
Authors:Karuppiah, V, Robinson, R.A.
Deposit date:2021-06-16
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
Nat Commun, 13, 2022
7OW6
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BU of 7ow6 by Molmil
Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK)
Descriptor: Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ...
Authors:Karuppiah, V, Robinson, R.A.
Deposit date:2021-06-16
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
Nat Commun, 13, 2022
7OW3
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BU of 7ow3 by Molmil
Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVVGAGGVGK)
Descriptor: Beta-2-microglobulin, KRAS peptide (VVVGAGGVGK), MHC class I antigen
Authors:Coles, C.H, Karuppiah, V, Robinson, R.A.
Deposit date:2021-06-16
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
Nat Commun, 13, 2022
7OW4
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BU of 7ow4 by Molmil
Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK)
Descriptor: Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ...
Authors:Coles, C.H, Karuppiah, V, Robinson, R.A.
Deposit date:2021-06-16
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
Nat Commun, 13, 2022
7PI4
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BU of 7pi4 by Molmil
FAK Protac GSK215 in complex with FAK and pVHL:ElonginC:ElonginB
Descriptor: (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Chung, C.
Deposit date:2021-08-19
Release date:2021-09-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery and Characterisation of Highly Cooperative FAK-Degrading PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
8OUJ
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BU of 8ouj by Molmil
Heterotrimeric Complex of Human ASCT2 with Syncytin-1
Descriptor: ALANINE, Neutral amino acid transporter B(0), Syncytin-1
Authors:Khare, S, Reyes, N.
Deposit date:2023-04-23
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Receptor-recognition and antiviral mechanisms of retrovirus-derived human proteins.
Nat.Struct.Mol.Biol., 2024

221716

數據於2024-06-26公開中

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