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3BVA
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BU of 3bva by Molmil
Cystal structure of HIV-1 Active Site Mutant D25N and p2-NC analog inhibitor
Descriptor: GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, Protease (Retropepsin)
Authors:Liu, F, Weber, I.T.
Deposit date:2008-01-05
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease.
J.Biol.Chem., 283, 2008
3K5K
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BU of 3k5k by Molmil
Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a
Descriptor: 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ...
Authors:Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2009-10-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
3KZ3
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BU of 3kz3 by Molmil
A structure of a lambda repressor fragment mutant
Descriptor: Repressor protein CI
Authors:Gruebele, M, Liu, F, Gao, Y.
Deposit date:2009-12-07
Release date:2010-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A survey of lambda repressor fragments from two-state to downhill folding.
J.Mol.Biol., 397, 2010
4IGN
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BU of 4ign by Molmil
2.32 Angstrom X-ray Crystal structure of R47A mutant of human ACMSD
Descriptor: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
Authors:Liu, F, Liu, A.
Deposit date:2012-12-17
Release date:2014-05-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.329 Å)
Cite:Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
1BOH
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BU of 1boh by Molmil
SULFUR-SUBSTITUTED RHODANESE (ORTHORHOMBIC FORM)
Descriptor: RHODANESE
Authors:Gliubich, F, Berni, R, Cianci, M, Trevino, R.J, Horowitz, P.M, Zanotti, G.
Deposit date:1998-08-04
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NH2-terminal sequence truncation decreases the stability of bovine rhodanese, minimally perturbs its crystal structure, and enhances interaction with GroEL under native conditions.
J.Biol.Chem., 274, 1999
1BOI
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BU of 1boi by Molmil
N-TERMINALLY TRUNCATED RHODANESE
Descriptor: RHODANESE
Authors:Gliubich, F, Berni, R, Cianci, M, Trevino, R.J, Horowitz, P.M, Zanotti, G.
Deposit date:1998-08-04
Release date:1999-04-27
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:NH2-terminal sequence truncation decreases the stability of bovine rhodanese, minimally perturbs its crystal structure, and enhances interaction with GroEL under native conditions.
J.Biol.Chem., 274, 1999
1RHS
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BU of 1rhs by Molmil
SULFUR-SUBSTITUTED RHODANESE
Descriptor: SULFUR-SUBSTITUTED RHODANESE
Authors:Zanotti, G, Gliubich, F, Colapietro, M, Barba, L.
Deposit date:1997-07-16
Release date:1998-01-21
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure of sulfur-substituted rhodanese at 1.36 A resolution.
Acta Crystallogr.,Sect.D, 54, 1998
4OFC
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BU of 4ofc by Molmil
2.0 Angstroms X-ray crystal structure of human 2-amino-3-carboxymuconate-6-semialdehye decarboxylase
Descriptor: 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase, ZINC ION
Authors:Huo, L, Liu, F, Iwaki, H, Chen, L, Hasegawa, Y, Liu, A.
Deposit date:2014-01-14
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Human alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase (ACMSD): A structural and mechanistic unveiling.
Proteins, 83, 2015
6D62
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BU of 6d62 by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans in complex with 3-HAA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ...
Authors:Yang, Y, Liu, F, Liu, A.
Deposit date:2018-04-19
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6D60
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BU of 6d60 by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
Authors:Yang, Y, Liu, F, Liu, A.
Deposit date:2018-04-19
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6D61
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BU of 6d61 by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans in complex with 4-Cl-3-HAA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ...
Authors:Yang, Y, Liu, F, Liu, A.
Deposit date:2018-04-19
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
7Y7J
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BU of 7y7j by Molmil
SARS-CoV-2 S trimer in complex with 1F Fab
Descriptor: 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, S, Liu, F, Yang, X, Zhong, G.
Deposit date:2022-06-22
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
7Y7K
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BU of 7y7k by Molmil
SARS-CoV-2 RBD in complex with 1F Fab
Descriptor: 1F VH, 1F VL, Spike protein S1
Authors:Zhao, S, Liu, F, Yang, X, Zhong, G.
Deposit date:2022-06-22
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-25
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8KG5
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BU of 8kg5 by Molmil
Prefusion RSV F Bound to Lonafarnib and D25 Fab
Descriptor: 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ...
Authors:Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X.
Deposit date:2023-08-17
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein.
Signal Transduct Target Ther, 9, 2024
7BTF
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BU of 7btf by Molmil
SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
Authors:Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
Deposit date:2020-04-01
Release date:2020-04-08
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
3FE5
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BU of 3fe5 by Molmil
Crystal structure of 3-hydroxyanthranilate 3,4-dioxygenase from bovine kidney
Descriptor: 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION
Authors:Dilovic, I, Gliubich, F, Malpeli, G, Zanotti, G, Matkovic-Calogovic, D.
Deposit date:2008-11-27
Release date:2009-06-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of bovine 3-hydroxyanthranilate 3,4-dioxygenase.
Biopolymers, 2009
7YVE
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BU of 7yve by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH027 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVP
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BU of 7yvp by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH272/281 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVG
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BU of 7yvg by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH132 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVK
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BU of 7yvk by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH272 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVN
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BU of 7yvn by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH281 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH281 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVO
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BU of 7yvo by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVM
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BU of 7yvm by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
Descriptor: Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVH
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BU of 7yvh by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab
Descriptor: Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-19
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023

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PDB entries from 2024-07-10

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