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4UZG
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BU of 4uzg by Molmil
Crystal structure of group B streptococcus pilus 2b backbone protein SAK_1440
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SURFACE PROTEIN SPB1
Authors:Malito, E, Cozzi, R, Bottomley, M.J.
Deposit date:2014-09-05
Release date:2015-05-13
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structure and assembly of group B streptococcus pilus 2b backbone protein.
PLoS ONE, 10, 2015
7CJD
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BU of 7cjd by Molmil
Crystal structure of the SARS-CoV-2 PLpro C111S mutant
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 3, ZINC ION
Authors:Gao, X, Cui, S.
Deposit date:2020-07-10
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
9FQJ
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BU of 9fqj by Molmil
E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12)
Descriptor: 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2024-06-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.563 Å)
Cite:Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
7CW3
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BU of 7cw3 by Molmil
Cryo-EM structure of Chikungunya virus in complex with mAb CHK-263 IgG (subregion around icosahedral 2-fold vertex)
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CMD
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BU of 7cmd by Molmil
Crystal structure of the SARS-CoV-2 PLpro with GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
Authors:Gao, X, Cui, S.
Deposit date:2020-07-27
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
2B7T
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BU of 2b7t by Molmil
Structure of ADAR2 dsRBM1
Descriptor: Double-stranded RNA-specific editase 1
Authors:Stefl, R, Xu, M, Skrisovska, L, Emeson, R.B, Allain, F.H.-T.
Deposit date:2005-10-05
Release date:2006-03-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and specific RNA binding of ADAR2 double-stranded RNA binding motifs.
Structure, 14, 2006
7CW2
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BU of 7cw2 by Molmil
Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-263 (subregion around icosahedral 5-fold vertex)
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
2B7V
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BU of 2b7v by Molmil
Structure of ADAR2 dsRBM2
Descriptor: Double-stranded RNA-specific editase 1
Authors:Stefl, R, Xu, M, Skrisovska, L, Emeson, R.B, Allain, F.H.-T.
Deposit date:2005-10-05
Release date:2006-03-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and specific RNA binding of ADAR2 double-stranded RNA binding motifs.
Structure, 14, 2006
9FQI
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BU of 9fqi by Molmil
E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7)
Descriptor: 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2024-06-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
9FQH
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BU of 9fqh by Molmil
E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1)
Descriptor: 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2024-06-17
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Accelerated Discovery of a Carbamate Scaffold Cbl-b Inhibitor using Generative Models and Structure-Based Drug Design
To be published
9F7X
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BU of 9f7x by Molmil
Human PPARgamma ligand binding domain in complex with co-activator 1alpha peptide and bisphenol B (BPB)
Descriptor: Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, bisphenol-B
Authors:Useini, A, Strater, N.
Deposit date:2024-05-05
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Studies on the Binding Mode of Bisphenols to PPAR gamma.
Biomolecules, 14, 2024
7CW0
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BU of 7cw0 by Molmil
Cryo-EM structure of Chikungunya virus in complex with mAb CHK-263 IgG
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CVZ
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BU of 7cvz by Molmil
Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-263
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
7CVY
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BU of 7cvy by Molmil
Cryo-EM structure of Chikungunya virus in complex with Fab fragments of mAb CHK-124
Descriptor: Capsid protein, E1 glycoprotein, E2 glycoprotein, ...
Authors:Zhou, Q.F, Fox, J.M, Earnest, J.T, Ng, T.S, Kim, A.S, Fibriansah, G, Kostyuchenko, V.A, Shu, B, Diamond, M.S, Lok, S.M.
Deposit date:2020-08-27
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Structural basis of Chikungunya virus inhibition by monoclonal antibodies.
Proc.Natl.Acad.Sci.USA, 117, 2020
4V7G
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BU of 4v7g by Molmil
Crystal Structure of Lumazine Synthase from Bacillus Anthracis
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
Authors:Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R.
Deposit date:2009-09-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 66, 2010
9FWX
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BU of 9fwx by Molmil
Crystal structure of BRD4 BD1 with MEN1404BS.
Descriptor: 3-methyl-~{N}-(2-phenylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Bromodomain-containing protein 4
Authors:Bader, G, Kessler, D.
Deposit date:2024-07-01
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 2024
7C5E
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BU of 7c5e by Molmil
Crystal structure of Keap1 in complex with fumarate (FUM)
Descriptor: ACETATE ION, FUMARIC ACID, Kelch-like ECH-associated protein 1, ...
Authors:Padmanabhan, B, Unni, S, Deshmukh, P.
Deposit date:2020-05-19
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
7C60
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BU of 7c60 by Molmil
Crystal structure of Keap1 in complex with monoethyl fumarate (MEF)
Descriptor: (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
Authors:Padmanabhan, B, Unni, S, Deshmukh, P, Krishnappa, G.
Deposit date:2020-05-21
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
6YEF
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BU of 6yef by Molmil
70S initiation complex with assigned rRNA modifications from Staphylococcus aureus
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S11, ...
Authors:Fatkhullin, B, Golubev, A, Khusainov, I, Yusupova, G, Yusupov, M.
Deposit date:2020-03-24
Release date:2021-01-27
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the ribosome functional complex of the human pathogen Staphylococcus aureus at 3.2 angstrom resolution.
Febs Lett., 594, 2020
6YST
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BU of 6yst by Molmil
Structure of the P+9 ArfB-ribosome complex with P/E hybrid tRNA in the post-hydrolysis state
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
6YSS
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BU of 6yss by Molmil
Structure of the P+9 ArfB-ribosome complex in the post-hydrolysis state
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
7O9K
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BU of 7o9k by Molmil
Human mitochondrial ribosome large subunit assembly intermediate with MTERF4-NSUN4, MRM2, MTG1, the MALSU module, GTPBP5 and mtEF-Tu
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Valentin Gese, G, Hallberg, B.M.
Deposit date:2021-04-16
Release date:2021-06-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for late maturation steps of the human mitoribosomal large subunit.
Nat Commun, 12, 2021
7O9M
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BU of 7o9m by Molmil
Human mitochondrial ribosome large subunit assembly intermediate with MTERF4-NSUN4, MRM2, MTG1 and the MALSU module
Descriptor: 16S rRNA, 39S ribosomal protein L10, mitochondrial, ...
Authors:Valentin Gese, G, Hallberg, B.M.
Deposit date:2021-04-16
Release date:2021-06-30
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis for late maturation steps of the human mitoribosomal large subunit.
Nat Commun, 12, 2021
6YSU
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BU of 6ysu by Molmil
Structure of the P+0 ArfB-ribosome complex in the post-hydrolysis state
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
8EJI
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BU of 8eji by Molmil
Lassa virus glycoprotein complex (Josiah) bound to 19.7E Fab
Descriptor: 19.7E Fab heavy chain, 19.7E Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Perrett, H.R, Ward, A.B.
Deposit date:2022-09-16
Release date:2023-06-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Structural conservation of Lassa virus glycoproteins and recognition by neutralizing antibodies.
Cell Rep, 42, 2023

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