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4LPI
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BU of 4lpi by Molmil
A sperm whale myoglobin double mutant L29H/F43Y Mb with a distal hydrogen-bonding network
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, Y.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:How a novel tyrosine-heme cross-link fine-tunes the structure and functions of heme proteins: a direct comparitive study of L29H/F43Y myoglobin
Dalton Trans, 44, 2015
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-08-12
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
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
5EOQ
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BU of 5eoq by Molmil
Structure of the murine Fab 1G6 bound to the vaccinia virus A27 peptide 31-40
Descriptor: Anti vaccinia virus A27 antibody Fab 1G6 heavy chain, Anti vaccinia virus A27 antibody Fab 1G6 light chain, Protein A27
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2015-11-10
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Linear Epitopes in Vaccinia Virus A27 Are Targets of Protective Antibodies Induced by Vaccination against Smallpox.
J.Virol., 90, 2016
5FHA
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BU of 5fha by Molmil
Crystal Structure of Protective Ebola Virus Antibody 114
Descriptor: Antibody 114 Fab heavy chain, Antibody 114 Fab light chain
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-12-21
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Structural and molecular basis for Ebola virus neutralization by protective human antibodies.
Science, 351, 2016
5FHB
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BU of 5fhb by Molmil
Crystal Structure of Protective Ebola Virus Antibody 100
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Antibody 100 Fab heavy chain, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-12-21
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Structural and molecular basis for Ebola virus neutralization by protective human antibodies.
Science, 351, 2016
5FHC
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BU of 5fhc by Molmil
Crystal Structure of Protective Human Antibodies 100 and 114 in Complex with Ebola Virus Fusion Glycoprotein (GP)
Descriptor: Antibody 100 Fab heavy chain, Antibody 100 Fab light chain, Antibody 114 Fab heavy chain, ...
Authors:Gilman, M.S.A, McLellan, J.S.
Deposit date:2015-12-21
Release date:2016-03-16
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (6.704 Å)
Cite:Structural and molecular basis for Ebola virus neutralization by protective human antibodies.
Science, 351, 2016
5EOR
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BU of 5eor by Molmil
Structure of the murine antibody Fab 8E3 bound to the vaccinia virus A27 peptide 101-110
Descriptor: Protein A27, SODIUM ION, anti vaccinia virus A27 antibody 8E3 heavy chain, ...
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2015-11-10
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Linear Epitopes in Vaccinia Virus A27 Are Targets of Protective Antibodies Induced by Vaccination against Smallpox.
J.Virol., 90, 2016
5C6Y
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BU of 5c6y by Molmil
A sperm whale myoglobin double mutant L29H/F43Y Mb with a Tyr-heme cross-link
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W, Tan, X.S.
Deposit date:2015-06-24
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:How a novel tyrosine-heme cross-link fine-tunes the structure and functions of heme proteins: a direct comparitive study of L29H/F43Y myoglobin
Dalton Trans, 44, 2015
7VOA
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BU of 7voa by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with aRBD5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpaca nanobody
Authors:Ma, H, Zeng, W.H, Jin, T.C.
Deposit date:2021-10-13
Release date:2022-08-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
4MPS
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BU of 4mps by Molmil
Crystal structure of rat Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6GAL1), Northeast Structural Genomics Consortium Target RnR367A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactoside alpha-2,6-sialyltransferase 1
Authors:Forouhar, F, Meng, L, Milaninia, S, Seetharaman, J, Su, M, Kornhaber, G, Montelione, G.T, Hunt, J.F, Moremen, K.W, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2013-09-13
Release date:2013-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic Basis for N-Glycan Sialylation: STRUCTURE OF RAT alpha 2,6-SIALYLTRANSFERASE (ST6GAL1) REVEALS CONSERVED AND UNIQUE FEATURES FOR GLYCAN SIALYLATION.
J.Biol.Chem., 288, 2013
6CB7
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BU of 6cb7 by Molmil
CRYSTAL STRUCTURE OF VACCINIA VIRUS A6 N-TERMINUS (SPACE GROUP C2)
Descriptor: NICKEL (II) ION, Protein A6
Authors:Han, Y, Zhang, B, Deng, J.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BR8
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BU of 6br8 by Molmil
Structure of A6 reveals a novel lipid transporter
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, J, Peng, S, Pathak, P.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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
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
4ETQ
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BU of 4etq by Molmil
Vaccinia virus D8L IMV envelope protein in complex with Fab of murine IgG2a LA5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-04-24
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
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
4E9O
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BU of 4e9o by Molmil
Vaccinia D8L ectodomain structure
Descriptor: IMV membrane protein, IODIDE ION
Authors:Matho, M.H, Zajonc, D.M.
Deposit date:2012-03-21
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
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
6BR9
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BU of 6br9 by Molmil
Structure of A6 reveals a novel lipid transporter
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, J, Peng, S, Pathak, P.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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
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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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

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