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7ER2
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BU of 7er2 by Molmil
Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40
Descriptor: 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2021-05-05
Release date:2022-04-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.662 Å)
Cite:Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR T790M/C797S Mutants.
Acs Med.Chem.Lett., 13, 2022
7JN5
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BU of 7jn5 by Molmil
Crystal structure of SARS-CoV receptor binding domain in complex with human antibody CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 heavy chain, ...
Authors:Wu, N.C, Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2020-08-03
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:A natural mutation between SARS-CoV-2 and SARS-CoV determines neutralization by a cross-reactive antibody.
Plos Pathog., 16, 2020
7LQ7
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BU of 7lq7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-02-13
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Bispecific antibodies targeting distinct regions of the spike protein potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 13, 2021
7NAB
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BU of 7nab by Molmil
Crystal structure of human neutralizing mAb CV3-25 binding to SARS-CoV-2 S MPER peptide 1140-1165
Descriptor: CITRIC ACID, CV3-25 Fab Heavy Chain, CV3-25 Fab Light Chain, ...
Authors:Chen, Y, Tolbert, W.D, Pazgier, M.
Deposit date:2021-06-21
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis and mode of action for two broadly neutralizing antibodies against SARS-CoV-2 emerging variants of concern.
Cell Rep, 38, 2022
8G1T
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BU of 8g1t by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
Deposit date:2023-02-02
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8GF2
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BU of 8gf2 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies eCR3022.20 and CC12.3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2023-03-07
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Broadening a SARS-CoV-1-neutralizing antibody for potent SARS-CoV-2 neutralization through directed evolution.
Sci.Signal., 16, 2023
7CCE
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BU of 7cce by Molmil
crystal structure of Arabidopsis AIPP3 BAH domain in complex with an H3K27me3 peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bromo-adjacent homology (BAH) domain-containing protein, Histone H3.2
Authors:Yuan, J, Du, J.
Deposit date:2020-06-17
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Coupling of H3K27me3 recognition with transcriptional repression through the BAH-PHD-CPL2 complex in Arabidopsis.
Nat Commun, 11, 2020
8H3U
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BU of 8h3u by Molmil
Inhibitor-bound EP, polyA model
Descriptor: Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Ding, Z.Y, Huang, H.J.
Deposit date:2022-10-09
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
8H3S
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BU of 8h3s by Molmil
Substrate-bound EP, polyA model
Descriptor: Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain, Serine protease 1
Authors:Ding, Z.Y, Huang, H.J.
Deposit date:2022-10-09
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7YFK
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BU of 7yfk by Molmil
The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin
Descriptor: Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1
Authors:Xia, Y, Yao, D, Huang, C, Cao, Y.
Deposit date:2022-07-08
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions.
Nat Commun, 14, 2023
7SJS
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BU of 7sjs by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CC40.8
Descriptor: ACETATE ION, CC40.8 Fab heavy chain, CC40.8 Fab light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2021-10-18
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:A human antibody reveals a conserved site on beta-coronavirus spike proteins and confers protection against SARS-CoV-2 infection.
Sci Transl Med, 14, 2022
7T62
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BU of 7t62 by Molmil
GPC2 HEP CT3 complex
Descriptor: CT3, Glypican-2
Authors:Zhu, J, Cachau, R, De Val Alda, N, Li, N, Ho, M.
Deposit date:2021-12-13
Release date:2021-12-22
Method:ELECTRON MICROSCOPY (21 Å)
Cite:CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice.
Cell Rep Med, 2, 2021
7TP4
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BU of 7tp4 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-01-24
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7TP3
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BU of 7tp3 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2
Descriptor: CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-01-24
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7JQC
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BU of 7jqc by Molmil
SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
7JQB
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BU of 7jqb by Molmil
SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
7LOP
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BU of 7lop by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV05-163 and CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-02-10
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Structural and functional ramifications of antigenic drift in recent SARS-CoV-2 variants.
Science, 373, 2021
7XPK
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BU of 7xpk by Molmil
crystal structure of rice ASI1 BAH domain in complex with a rice SUVH6 peptide
Descriptor: Alpha-aminoacylpeptide hydrolase, BAH domain-containing protein
Authors:Yuan, J, Du, J.
Deposit date:2022-05-04
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of locus-specific H3K9 methylation catalyzed by SUVH6 in plants.
Proc.Natl.Acad.Sci.USA, 120, 2023
7XPJ
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BU of 7xpj by Molmil
crystal structure of rice ASI1 BAH domain
Descriptor: BAH domain-containing protein
Authors:Yuan, J, Du, J.
Deposit date:2022-05-04
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Molecular basis of locus-specific H3K9 methylation catalyzed by SUVH6 in plants.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YGG
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BU of 7ygg by Molmil
Crystal structure of human CD47 in complex with engineered SIRPa.D1(N80A)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Leukocyte surface antigen CD47, ...
Authors:Yu, J, Tian, W.
Deposit date:2022-07-11
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Crystal Structure of Human CD47 in Complex with Engineered SIRP alpha.D1(N80A).
Molecules, 27, 2022
8ANS
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BU of 8ans by Molmil
Crystal structure of D1228V c-MET bound by compound 1.
Descriptor: 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, GLYCEROL, Hepatocyte growth factor receptor
Authors:Collie, G.W.
Deposit date:2022-08-05
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
8AN8
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BU of 8an8 by Molmil
Crystal structure of wild-type c-MET bound by compound 7.
Descriptor: 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide, Hepatocyte growth factor receptor, SULFATE ION
Authors:Collie, G.W.
Deposit date:2022-08-04
Release date:2022-08-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Discovery of a selective c-MET inhibitor with a novel binding mode.
Bioorg.Med.Chem.Lett., 75, 2022
6H1E
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BU of 6h1e by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide
Descriptor: HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ...
Authors:Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
Deposit date:2018-07-11
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
6H1D
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BU of 6h1d by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH
Descriptor: HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
Deposit date:2018-07-11
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
7WQZ
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BU of 7wqz by Molmil
Structure of Active-mutEP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022

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