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4LR6
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BU of 4lr6 by Molmil
Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment
Descriptor: 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID
Authors:Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
Deposit date:2013-07-19
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
4LRG
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BU of 4lrg by Molmil
Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide
Descriptor: 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4
Authors:Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
Deposit date:2013-07-19
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
Descriptor: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODC
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BU of 6odc by Molmil
Crystal structure of HDAC8 in complex with compound 30
Descriptor: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODA
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BU of 6oda by Molmil
Crystal structure of HDAC8 in complex with compound 2
Descriptor: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
4W6Y
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BU of 4w6y by Molmil
Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF9
Descriptor: F18 fimbrial adhesin AC, Nanobody NbFedF9, SULFATE ION
Authors:Moonens, K, De Kerpel, M, Coddens, A, Cox, E, Pardon, E, Remaut, H, De Greve, H.
Deposit date:2014-08-21
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli.
Plos One, 9, 2014
4W6W
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BU of 4w6w by Molmil
Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF6
Descriptor: F18 fimbrial adhesin AC, NbFedF6
Authors:Moonens, K, De Kerpel, M, Annelies, C, Cox, E, Pardon, E, Remaut, H, De Greve, H.
Deposit date:2014-08-21
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli.
Plos One, 9, 2014
4W6X
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BU of 4w6x by Molmil
Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF7
Descriptor: F18 fimbrial adhesin AC, Nanobody NbFedF7
Authors:Moonens, K, De Kerpel, M, Coddens, A, Cox, E, Pardon, E, Remaut, H, De Greve, H.
Deposit date:2014-08-21
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli.
Plos One, 9, 2014
8OI2
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BU of 8oi2 by Molmil
Crystal structure of Alb1 megabody in complex with human serum albumin
Descriptor: Alb1 Megabody, Albumin
Authors:De Felice, S, Zoia, G, Romanyuk, Z, Pardon, E, Steyaert, J, Angelini, A, Cendron, L.
Deposit date:2023-03-22
Release date:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of human serum albumin in complex with megabody reveals unique human and murine cross-reactive binding site.
Protein Sci., 33, 2024
6MXT
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BU of 6mxt by Molmil
Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ...
Authors:Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K.
Deposit date:2018-10-31
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95934224 Å)
Cite:Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist.
Nat. Chem. Biol., 14, 2018
2YPW
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BU of 2ypw by Molmil
Atomic model for the N-terminus of TraO fitted in the full-length structure of the bacterial pKM101 type IV secretion system core complex
Descriptor: TRAO
Authors:Rivera-Calzada, A, Fronzes, R, Savva, C.G, Chandran, V, Lian, P.W, Laeremans, T, Pardon, E, Steyaert, J, Remaut, H, Waksman, G, Orlova, E.V.
Deposit date:2012-11-02
Release date:2013-04-03
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (12.4 Å)
Cite:Structure of a Bacterial Type Iv Secretion Core Complex at Subnanometre Resolution.
Embo J., 32, 2013
6VBG
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BU of 6vbg by Molmil
Lactose permease complex with thiodigalactoside and nanobody 9043
Descriptor: Galactoside permease, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose, nanobody 9043, ...
Authors:Kumar, H, Stroud, R.M, Kaback, H.R, Finer-Moore, J, Smirnova, I, Kasho, V, Pardon, E, Steyart, J.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Diversity in kinetics correlated with structure in nano body-stabilized LacY.
Plos One, 15, 2020
4WEN
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BU of 4wen by Molmil
Co-complex structure of the F4 fimbrial adhesin FaeG variant ac with llama single domain antibody V2
Descriptor: Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AC
Authors:Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H.
Deposit date:2014-09-10
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.
Vet. Res., 46, 2015
4WEU
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BU of 4weu by Molmil
Co-complex structure of the F4 fimbrial adhesin FaeG variant ad with llama single domain antibody V3
Descriptor: Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AD
Authors:Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H.
Deposit date:2014-09-11
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.
Vet. Res., 46, 2015
4WEM
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BU of 4wem by Molmil
Co-complex structure of the F4 fimbrial adhesin FaeG variant ac with llama single domain antibody V1
Descriptor: Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AC, PHOSPHATE ION
Authors:Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H.
Deposit date:2014-09-10
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies.
Vet. Res., 46, 2015
7PHP
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BU of 7php by Molmil
Structure of Multidrug and Toxin Compound Extrusion (MATE) transporter NorM by NabFab-fiducial assisted cryo-EM
Descriptor: Anti-Fab nanobody, Multidrug resistance protein NorM, NabFab HC, ...
Authors:Bloch, J.S, Mukherjee, S, Kowal, J, Niederer, M, Pardon, E, Steyaert, J, Kossiakoff, A.A, Locher, K.P.
Deposit date:2021-08-18
Release date:2021-09-01
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Development of a universal nanobody-binding Fab module for fiducial-assisted cryo-EM studies of membrane proteins.
Proc.Natl.Acad.Sci.USA, 118, 2021
4GFT
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BU of 4gft by Molmil
Malaria invasion machinery protein-Nanobody complex
Descriptor: 1,2-ETHANEDIOL, Myosin A tail domain interacting protein, Nanobody
Authors:Khamrui, S, Turley, S, Pardon, E, Steyaert, J, Verlinde, C, Fan, E, Bergman, L.W, Hol, W.G.J.
Deposit date:2012-08-03
Release date:2013-07-03
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structure of the D3 domain of Plasmodium falciparum myosin tail interacting protein MTIP in complex with a nanobody.
Mol.Biochem.Parasitol., 190, 2013
4I0C
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BU of 4i0c by Molmil
The structure of the camelid antibody cAbHuL5 in complex with human lysozyme
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:De Genst, E, Chan, P.H, Pardon, E, Kumita, J.R, Christodoulou, J, Menzer, L, Chirgadze, D.Y, Robinson, C.V, Muyldermans, S, Matagne, A, Wyns, L, Dobson, C.M, Dumoulin, M.
Deposit date:2012-11-16
Release date:2013-10-09
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A nanobody binding to non-amyloidogenic regions of the protein human lysozyme enhances partial unfolding but inhibits amyloid fibril formation.
J.Phys.Chem.B, 117, 2013
7B5G
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BU of 7b5g by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527)
Descriptor: 1,2-ETHANEDIOL, LexA repressor, Nanobody Nb14527, ...
Authors:Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
Deposit date:2020-12-03
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
4P2C
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BU of 4p2c by Molmil
Complex of Shiga toxin 2e with a neutralizing single-domain antibody
Descriptor: Nanobody 1, Anti-F4+ETEC bacteria VHH variable region, Shiga toxin 2e, ...
Authors:Lo, A.W.H, Moonens, K, De Kerpel, M, Brys, L, Pardon, E, Remaut, H, De Greve, H.
Deposit date:2014-03-03
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.818 Å)
Cite:The Molecular Mechanism of Shiga Toxin Stx2e Neutralization by a Single-domain Antibody Targeting the Cell Receptor-binding Domain.
J.Biol.Chem., 289, 2014
6B73
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BU of 6b73 by Molmil
Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor
Descriptor: CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ...
Authors:Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L.
Deposit date:2017-10-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
6QD6
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BU of 6qd6 by Molmil
Molecular scaffolds expand the nanobody toolkit for cryo-EM applications: crystal structure of Mb-cHopQ-Nb207
Descriptor: CHLORIDE ION, Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207
Authors:Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkonig, A, Zogg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J.
Deposit date:2018-12-31
Release date:2019-12-18
Last modified:2021-01-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM
Nat.Methods, 18, 2021
1ZMY
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BU of 1zmy by Molmil
cAbBCII-10 VHH framework with CDR loops of cAbLys3 grafted on it and in complex with hen egg white lysozyme
Descriptor: Antibody cabbcII-10:lys3, Lysozyme C
Authors:Saerens, D, Pellis, M, Loris, R, Pardon, E, Dumoulin, M, Matagne, A, Wyns, L, Muyldermans, S, Conrath, K.
Deposit date:2005-05-11
Release date:2005-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of a universal VHH framework to graft non-canonical antigen-binding loops of camel single-domain antibodies
J.Mol.Biol., 352, 2005
6QFA
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BU of 6qfa by Molmil
CryoEM structure of a beta3K279T GABA(A)R homomer in complex with histamine and megabody Mb25
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit beta-3, HISTAMINE, ...
Authors:Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkoening, A, Zoegg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J.
Deposit date:2019-01-09
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (2.49 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
2X6M
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BU of 2x6m by Molmil
Structure of a single domain camelid antibody fragment in complex with a C-terminal peptide of alpha-synuclein
Descriptor: ALPHA-SYNUCLEIN PEPTIDE, HEAVY CHAIN VARIABLE DOMAIN FROM DROMEDARY
Authors:DeGenst, E, Guilliams, T, Wellens, J, O'Day, E.M, Waudby, C.A, Meehan, S, Dumoulin, M, Hsu, S.-T.D, Cremades, N, Verschueren, K.H.G, Pardon, E, Wyns, L, Steyaert, J, Christodoulou, J, Dobson, C.M.
Deposit date:2010-02-18
Release date:2010-06-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure and Properties of a Complex of Alpha-Synuclein and a Single-Domain Camelid Antibody.
J.Mol.Biol., 402, 2010

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