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7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
Descriptor: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
4EBQ
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BU of 4ebq by Molmil
Fab structure of anti-Vaccinia virus D8L antigen mouse IgG2a LA5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-03-23
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
7FH0
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BU of 7fh0 by Molmil
Crystallographic structure of two neutralizing nanobodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zheng, P, Jin, J.
Deposit date:2021-07-28
Release date:2022-08-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
4GQ9
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BU of 4gq9 by Molmil
Chikungunya virus neutralizing antibody 9.8B Fab fragment
Descriptor: Chikungunya virus neutralizing antibody 9.8B Fab fragment heavy chain, Chikungunya virus neutralizing antibody 9.8B Fab fragment light chain
Authors:Sun, S, Rossmann, M.G.
Deposit date:2012-08-22
Release date:2013-07-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:Structural analyses at pseudo atomic resolution of Chikungunya virus and antibodies show mechanisms of neutralization.
Elife, 2, 2013
2ZGQ
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BU of 2zgq by Molmil
Crystal structure of AAL mutant L33A in P1 spacegroup
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGO
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BU of 2zgo by Molmil
Crystal structure of AAL mutant H59Q complex with lactose
Descriptor: Anti-tumor lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGP
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BU of 2zgp by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant I25G
Descriptor: Anti-tumor lectin
Authors:Yang, N, Li, D.F, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGL
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BU of 2zgl by Molmil
Crystal structure of recombinant Agrocybe aegerita (rAAL)
Descriptor: Anti-tumor lectin
Authors:Yang, N, Li, D.F, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGT
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BU of 2zgt by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant F93G
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGU
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BU of 2zgu by Molmil
Crystal structure Agrocybe aegerita lectin AAL mutant I144G
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGK
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BU of 2zgk by Molmil
Crystal structure of wildtype AAL
Descriptor: Anti-tumor lectin
Authors:Yang, N, Li, D.F, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGM
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BU of 2zgm by Molmil
Crystal structure of recombinant Agrocybe aegerita lectin,rAAL, complex with lactose
Descriptor: Anti-tumor lectin, SULFATE ION, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGN
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BU of 2zgn by Molmil
crystal structure of recombinant Agrocybe aegerita lectin, rAAL, complex with galactose
Descriptor: Anti-tumor lectin, beta-D-galactopyranose
Authors:Yang, N, Li, D.F, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGS
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BU of 2zgs by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant L47A
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGR
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BU of 2zgr by Molmil
Crystal structure of AAL mutant L33A in C2 spacegroup
Descriptor: Anti-tumor lectin
Authors:Yang, N, Li, D.F, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
3VBX
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BU of 3vbx by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VC4
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BU of 3vc4 by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-03
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBT
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BU of 3vbt by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBV
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BU of 3vbv by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBQ
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BU of 3vbq by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBY
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BU of 3vby by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: IMIDAZOLE, Serine/threonine-protein kinase pim-1, furan-2-yl(1H-indol-3-yl)methanone
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBW
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BU of 3vbw by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
4LU5
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BU of 4lu5 by Molmil
Structure of murine IgG2a A20G2-Fab in complex with vaccinia antigen A33R at the resolution of 2.9 Angstroms
Descriptor: A33R, Murine IgG2a A20G2 Heavy chain Fab domain, Murine IgG2a A20G2 Light chain Fab domain
Authors:Matho, M.H, Schlossman, A.M, Zajonc, D.M.
Deposit date:2013-07-24
Release date:2014-07-30
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer.
Plos Pathog., 11, 2015
4M1G
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BU of 4m1g by Molmil
Structure of murine IgG2a A27D7-Fab in complex with vaccinia antigen A33R at the resolution of 1.6 Angstroms
Descriptor: A33R, Murine IgG2a A27D7 Heavy chain Fab domain, Murine IgG2a A27D7 Light chain Fab domain, ...
Authors:Matho, M.H, Schlossman, A.M, Zajonc, D.M.
Deposit date:2013-08-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer.
Plos Pathog., 11, 2015
4LQF
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BU of 4lqf by Molmil
Structure of murine IgG2b A2C7-Fab in complex with vaccinia antigen A33R at the resolution of 2.3 Angstroms
Descriptor: A33R, Murine IgG2b A2C7 Heavy chain Fab domain, Murine IgG2b A2C7 Light chain Fab domain, ...
Authors:Matho, M.H, Schlossman, A.M, Zajonc, D.M.
Deposit date:2013-07-17
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Characterization of Anti-A33 Antibodies Reveal a Potent Cross-Species Orthopoxviruses Neutralizer.
Plos Pathog., 11, 2015

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