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7RU8
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BU of 7ru8 by Molmil
CC6.30 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (RBD/Fv local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC6.30 Fab Kappa chain Fv, ...
Authors:Ozorowski, G, Turner, H.L, Ward, A.B.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Engineering SARS-CoV-2 neutralizing antibodies for increased potency and reduced viral escape pathways.
Iscience, 25, 2022
4WWI
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BU of 4wwi by Molmil
Crystal structure of the C domain of staphylococcal protein A in complex with the Fc fragment of human IgG at 2.3 Angstrom resolution
Descriptor: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
Authors:Deis, L.N, Oas, T.G.
Deposit date:2014-11-11
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
4Y76
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BU of 4y76 by Molmil
Factor Xa complex with GTC000401
Descriptor: CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4Y79
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BU of 4y79 by Molmil
Factor Xa complex with GTC000406
Descriptor: (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ...
Authors:Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
Deposit date:2015-02-13
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4ZMD
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BU of 4zmd by Molmil
C domain of staphylococcal protein A mutant - Q9W
Descriptor: Immunoglobulin G-binding protein A
Authors:Deis, L.N, Oas, T.G.
Deposit date:2015-05-03
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZNC
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BU of 4znc by Molmil
Fc fragment of human IgG in complex with the C domain of staphylococcal protein A mutant - Q9W
Descriptor: Ig gamma-3 chain C region, Immunoglobulin G-binding protein A
Authors:Deis, L.N, Oas, T.G.
Deposit date:2015-05-04
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Suppression of conformational heterogeneity at a protein-protein interface.
Proc.Natl.Acad.Sci.USA, 112, 2015
6A67
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BU of 6a67 by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody FLD21.140
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLD21.140 Heavy Chain, FLD21.140 Light Chain, ...
Authors:Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X.
Deposit date:2018-06-26
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Complementary recognition of the receptor-binding site of highly pathogenic H5N1 influenza viruses by two human neutralizing antibodies.
J. Biol. Chem., 293, 2018
2I50
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BU of 2i50 by Molmil
Solution Structure of Ubp-M Znf-UBP domain
Descriptor: Ubiquitin carboxyl-terminal hydrolase 16, ZINC ION
Authors:Pai, M.-T.
Deposit date:2006-08-23
Release date:2007-08-07
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of the Ubp-M BUZ domain, a highly specific protein module that recognizes the C-terminal tail of free ubiquitin.
J.Mol.Biol., 370, 2007
3S7L
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BU of 3s7l by Molmil
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
Descriptor: (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Chopra, R, Olland, A, Svenson, K.
Deposit date:2011-05-26
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
3S7M
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BU of 3s7m by Molmil
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
Descriptor: (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Chopra, R, Olland, A, Svenson, K.
Deposit date:2011-05-26
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
5ZXV
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BU of 5zxv by Molmil
Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein
Descriptor: MERS-CoV RBD, heavy chain, light chain
Authors:Zhang, S, Wang, X.
Deposit date:2018-05-21
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.482 Å)
Cite:Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein
Cell Rep, 24, 2018
6IUT
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BU of 6iut by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody AVFluIgG01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AVFluIgG01 Heavy Chain, ...
Authors:Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X.
Deposit date:2018-11-30
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1.
J. Biol. Chem., 294, 2019
6IUV
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BU of 6iuv by Molmil
Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody 3C11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3C11 Heavy Chain, 3C11 Light Chain, ...
Authors:Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X.
Deposit date:2018-11-30
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1.
J. Biol. Chem., 294, 2019
2KHU
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BU of 2khu by Molmil
Solution Structure of the Ubiquitin-Binding Motif of Human Polymerase Iota
Descriptor: Immunoglobulin G-binding protein G, DNA polymerase iota
Authors:Bomar, M.G, D'Souza, S, Bienko, M, Dikic, I, Walker, G.
Deposit date:2009-04-11
Release date:2010-02-23
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Unconventional Ubiquitin Recognition by the Ubiquitin-Binding Motif within the Y Family DNA Polymerases iota and Rev1.
Mol.Cell, 37, 2010
2KHW
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BU of 2khw by Molmil
Solution Structure of the human Polymerase iota UBM2-Ubiquitin Complex
Descriptor: Immunoglobulin G-binding protein G, DNA polymerase iota, Ubiquitin
Authors:Bomar, M.G, D'Souza, S, Bienko, M, Dikic, I, Walker, G.
Deposit date:2009-04-13
Release date:2010-02-23
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution Structure of the human Polymerase iota UBM2-Ubiquitin Complex
To be Published
6IEW
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BU of 6iew by Molmil
The crystal structure of the dNxf2 UBA domain in complex with Panoramix
Descriptor: Fusion protein of Nuclear RNA export factor 2 and Protein panoramix, GLYCEROL
Authors:Huang, Y, Cheng, S.
Deposit date:2018-09-17
Release date:2019-08-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Pandas complex adapted for piRNA-guided transcriptional silencing and heterochromatin formation.
Nat.Cell Biol., 21, 2019
6IHJ
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BU of 6ihj by Molmil
Crystal structure of Drosophila Nxf1 NTF2 domain in complex with Nxt1/p15
Descriptor: NTF2-related export protein, Nuclear RNA export factor 1
Authors:Huang, Y, Yuan, X.
Deposit date:2018-09-30
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Pandas complex adapted for piRNA-guided transcriptional silencing and heterochromatin formation.
Nat.Cell Biol., 21, 2019
4IHF
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BU of 4ihf by Molmil
Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production
Descriptor: Acyl carrier protein, CHLORIDE ION, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate, ...
Authors:Masoudi, A, Raetz, C.R.H, Pemble, C.W.
Deposit date:2012-12-18
Release date:2013-11-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Chasing acyl carrier protein through a catalytic cycle of lipid A production.
Nature, 505, 2014
4IHH
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BU of 4ihh by Molmil
Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ...
Authors:Masoudi, A, Raetz, C.R.H, Pemble, C.W.
Deposit date:2012-12-18
Release date:2013-11-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.132 Å)
Cite:Chasing acyl carrier protein through a catalytic cycle of lipid A production.
Nature, 505, 2014
4IHG
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BU of 4ihg by Molmil
Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production
Descriptor: 3-HYDROXY-TETRADECANOIC ACID, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ...
Authors:Masoudi, A, Raetz, C.R.H, Pemble, C.W.
Deposit date:2012-12-18
Release date:2013-11-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Chasing acyl carrier protein through a catalytic cycle of lipid A production.
Nature, 505, 2014
8JEC
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BU of 8jec by Molmil
plant potassium channel SKOR mutant - L271P/D312N
Descriptor: Potassium channel SKOR
Authors:Liu, S, Li, S, Tian, C.
Deposit date:2023-05-15
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
8JEU
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BU of 8jeu by Molmil
Conformation 2 of the plant potassium channel SKOR
Descriptor: Potassium channel SKOR
Authors:Liu, S, Li, S, Sun, D, Tian, C.
Deposit date:2023-05-16
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
8JET
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BU of 8jet by Molmil
Conformation 1 of the plant potassium channel SKOR
Descriptor: Potassium channel SKOR
Authors:Liu, S, Li, S, Sun, D, Tian, C.
Deposit date:2023-05-16
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure reveals a symmetry reduction of the plant outward-rectifier potassium channel SKOR.
Cell Discov, 9, 2023
5XC2
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BU of 5xc2 by Molmil
Crystal structure of GH family 81 beta-1,3-glucanase from Rhizomucr miehei complexed with laminarihexaose
Descriptor: Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
Authors:Qin, Z, Yang, S, Peng, Z, Yan, Q, Jiang, Z.
Deposit date:2017-03-22
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Catalytic mechanism of glycoside hydrolase family 81 beta-1,3-glucanase
To Be Published
1QK6
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BU of 1qk6 by Molmil
Solution structure of huwentoxin-I by NMR
Descriptor: HUWENTOXIN-I
Authors:Qu, Y, Liang, S, Ding, J, Liu, X, Zhang, R, Gu, X.
Deposit date:1999-07-10
Release date:1999-08-20
Last modified:2019-01-16
Method:SOLUTION NMR
Cite:Proton Nuclear Magnetic Resonance Studies on Huwentoxin-I from the Venom of the Spider Selenocosmia Huwena:2.Three-Dimensional Structure in Solution
J.Protein Chem., 16, 1997

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