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4N0A
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BU of 4n0a by Molmil
Crystal structure of Lsm2-3-Pat1C complex from Saccharomyces cerevisiae
Descriptor: DNA topoisomerase 2-associated protein PAT1, U6 snRNA-associated Sm-like protein LSm2, U6 snRNA-associated Sm-like protein LSm3
Authors:Wu, D.H.
Deposit date:2013-10-01
Release date:2013-12-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Lsm2 and Lsm3 bridge the interaction of the Lsm1-7 complex with Pat1 for decapping activation
Cell Res., 24, 2014
3WUY
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BU of 3wuy by Molmil
Crystal structure of Nit6803
Descriptor: Nitrilase
Authors:Yuan, Y.A, Yin, B, Wang, C.
Deposit date:2014-05-09
Release date:2014-12-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803
J.Struct.Biol., 188, 2014
8I4S
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BU of 8i4s by Molmil
the complex structure of SARS-CoV-2 Mpro with D8
Descriptor: 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein
Authors:Lu, M.
Deposit date:2023-01-21
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
8JBA
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BU of 8jba by Molmil
Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors
Descriptor: (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Xiao, Y.B.
Deposit date:2023-05-08
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.
J.Med.Chem., 66, 2023
5WDH
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BU of 5wdh by Molmil
Motor domain of human kinesin family member C1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ...
Authors:Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5WDE
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BU of 5wde by Molmil
Crystal structure of the KIFC3 motor domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ...
Authors:Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5XNV
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BU of 5xnv by Molmil
Crystal structure of YEATS2 YEATS bound to H3K27ac peptide
Descriptor: ALA-ALA-ARG-ALY-SER-ALA-PRO-ALA, AMMONIUM ION, CHLORIDE ION, ...
Authors:Li, H.T, Guan, H.P, Zhao, D.
Deposit date:2017-05-24
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:YEATS2 links histone acetylation to tumorigenesis of non-small cell lung cancer.
Nat Commun, 8, 2017
5ZAZ
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BU of 5zaz by Molmil
Solution structure of integrin b2 monomer tranmembrane domain in bicelle
Descriptor: Integrin beta-2
Authors:Li, H, Guo, J, Xu, C.
Deposit date:2018-02-09
Release date:2018-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intramembrane ionic protein-lipid interaction regulates integrin structure and function.
PLoS Biol., 16, 2018
2L6S
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BU of 2l6s by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
Descriptor: VIR-576
Authors:Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
2L6T
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BU of 2l6t by Molmil
Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide
Descriptor: VIR-576
Authors:Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E.
Deposit date:2010-11-24
Release date:2011-01-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
2JYK
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BU of 2jyk by Molmil
NMR Structure of a 21 bp DNA duplex preferentially cleaved by Human Topoisomerase II
Descriptor: DNA (5'-D(*DAP*DCP*DAP*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DTP*DCP*DGP*DAP*DTP*DCP*DAP*DCP*DGP*DT)-3'), DNA (5'-D(*DAP*DCP*DGP*DTP*DGP*DAP*DTP*DCP*DGP*DAP*DTP*DGP*DAP*DTP*DAP*DAP*DGP*DCP*DTP*DGP*DT)-3')
Authors:Masliah, G, Mauffret, O.
Deposit date:2007-12-14
Release date:2008-07-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Identification of intrinsic dynamics in a DNA sequence preferentially cleaved by topoisomerase II enzyme
J.Mol.Biol., 381, 2008
7CT5
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BU of 7ct5 by Molmil
S protein of SARS-CoV-2 in complex bound with T-ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Guo, L, Bi, W.W, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q, Dang, B.B.
Deposit date:2020-08-18
Release date:2020-11-18
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Engineered trimeric ACE2 binds viral spike protein and locks it in "Three-up" conformation to potently inhibit SARS-CoV-2 infection.
Cell Res., 31, 2021
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
7D8B
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BU of 7d8b by Molmil
Engineering Disulphide-Free Autonomous Antibody VH Domains to modulate intracellular pathways
Descriptor: Eukaryotic translation initiation factor 4E, VH-S4
Authors:Frosi, Y, Lin, Y.C, Jiang, S, Brown, C.J.
Deposit date:2020-10-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex.
Nat Commun, 13, 2022

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