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7MSD
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BU of 7msd by Molmil
Structure of EED bound to EEDi-6068
Descriptor: (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED
Authors:Petrunak, E, Stuckey, J.
Deposit date:2021-05-11
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
7MSB
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BU of 7msb by Molmil
Structure of EED bound to EEDi-4259
Descriptor: (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED
Authors:Petrunak, E, Stuckey, J.
Deposit date:2021-05-11
Release date:2021-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
7MRY
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BU of 7mry by Molmil
Norovirus T=3 GII.4 HOV VLP
Descriptor: VP1
Authors:Salmen, W, Hu, L, Prasad, B.
Deposit date:2021-05-10
Release date:2022-03-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic structure of the predominant GII.4 human norovirus capsid reveals novel stability and plasticity.
Nat Commun, 13, 2022
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
5YLF
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BU of 5ylf by Molmil
MCR-1 complex with D-glucose
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-D-glucopyranose
Authors:Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
Deposit date:2017-10-17
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
7WD0
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BU of 7wd0 by Molmil
SARS-CoV-2 Beta spike in complex with two S5D2 Fabs
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-20
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WDF
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BU of 7wdf by Molmil
SARS-CoV-2 Beta spike in complex with two S3H3 Fabs
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-21
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD9
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BU of 7wd9 by Molmil
SARS-CoV-2 Beta spike in complex with three S3H3 Fabs
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-21
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD7
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BU of 7wd7 by Molmil
SARS-CoV-2 Beta spike in complex with three S5D2 Fabs
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-21
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WCZ
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BU of 7wcz by Molmil
SARS-CoV-2 Beta spike in complex with one S5D2 Fab
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-20
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WCR
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BU of 7wcr by Molmil
RBD-1 of SARS-CoV-2 Beta spike in complex with S5D2 Fab
Descriptor: Heavy chain of S5D2 Fab, Light chain of S5D2 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-20
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
7WD8
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BU of 7wd8 by Molmil
SARS-CoV-2 Beta spike SD1 in complex with S3H3 Fab
Descriptor: Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
Authors:Wang, Y.F, Cong, Y.
Deposit date:2021-12-21
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Mapping cross-variant neutralizing sites on the SARS-CoV-2 spike protein.
Emerg Microbes Infect, 11, 2022
5YLC
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BU of 5ylc by Molmil
Crystal Structure of MCR-1 Catalytic Domain
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
Deposit date:2017-10-17
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
5YLE
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BU of 5yle by Molmil
MCR-1 complex with ethanolamine (ETA)
Descriptor: ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
Deposit date:2017-10-17
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
7WLY
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BU of 7wly by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down- and 2 up RBDs)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2022-01-14
Release date:2022-05-25
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
7WLZ
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BU of 7wlz by Molmil
Cryo-EM structure of the Omicron S in complex with 35B5 Fab(1 down-, 1 up- and 1 invisible RBDs)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2022-01-14
Release date:2022-05-25
Last modified:2022-06-22
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope.
Cell Host Microbe, 30, 2022
7WM0
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BU of 7wm0 by Molmil
Cryo-EM structure of the Omicron RBD in complex with 35B5 Fab( local refinement of the RBD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X, Zhu, Y.
Deposit date:2022-01-14
Release date:2022-08-17
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:35B5 antibody potently neutralizes SARS-CoV-2 Omicron by disrupting the N-glycan switch via a conserved spike epitope
Cell Host Microbe, 30, 2022
3VM7
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BU of 3vm7 by Molmil
Structure of an Alpha-Amylase from Malbranchea cinnamomea
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ...
Authors:Zhou, P, Hu, S.Q, Zhou, Y, Han, P, Yang, S.Q, Jiang, Z.Q.
Deposit date:2011-12-09
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Novel Multifunctional alpha-Amylase from the Thermophilic Fungus Malbranchea cinnamomea: Biochemical Characterization and Three-Dimensional Structure.
Appl Biochem Biotechnol., 170, 2013
8J40
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BU of 8j40 by Molmil
Crystal Structure of CATB8 in complex with chloramphenicol
Descriptor: CHLORAMPHENICOL, CatB8, GLYCEROL, ...
Authors:Liao, J, Kuang, L, Jiang, Y.
Deposit date:2023-04-18
Release date:2024-02-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Chloramphenicol Binding Sites of Acinetobacter baumannii Chloramphenicol Acetyltransferase CatB8.
Acs Infect Dis., 10, 2024
7V2A
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BU of 7v2a by Molmil
SARS-CoV-2 Spike trimer in complex with XG014 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ...
Authors:Wang, K, Wang, X, Pan, L.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
7V26
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BU of 7v26 by Molmil
XG005-bound SARS-CoV-2 S
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ...
Authors:Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G.
Deposit date:2021-08-07
Release date:2021-10-20
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
5FDP
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BU of 5fdp by Molmil
Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms resolution.
Descriptor: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, Arrowsmith, C.H, von Delft, F, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
4R9D
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BU of 4r9d by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.9, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
7VNU
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BU of 7vnu by Molmil
Crystal structure of the N-terminal domain of SARS-CoV-2 nucleocapsid protein
Descriptor: ACETATE ION, Nucleoprotein
Authors:Zhou, R.J, Ni, X.C, Lei, J.
Deposit date:2021-10-12
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into ribonucleoprotein dissociation by nucleocapsid protein interacting with non-structural protein 3 in SARS-CoV-2.
Commun Biol, 6, 2023
4R9C
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BU of 4r9c by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.5, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015

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PDB entries from 2024-10-09

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