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4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RWD
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BU of 4rwd by Molmil
XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ...
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-02
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
8QOT
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Structure of the mu opioid receptor bound to the antagonist nanobody NbE
Descriptor: Anti-Fab Nanobody, Mu-type opioid receptor, NabFab HC, ...
Authors:Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Manglik, A, Ballet, S, Boland, A, Stoeber, M.
Deposit date:2023-09-29
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist.
Biorxiv, 2023
8WKY
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BU of 8wky by Molmil
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S25
Descriptor: CALCIUM ION, Melanocortin receptor 4, N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, ...
Authors:Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S.
Deposit date:2023-09-28
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8WKZ
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Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S31
Descriptor: CALCIUM ION, Melanocortin receptor 4, OLEIC ACID, ...
Authors:Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S.
Deposit date:2023-09-28
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design.
J.Med.Chem., 67, 2024
6PT2
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Crystal structure of the active delta opioid receptor in complex with the peptide agonist KGCHM07
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, Delta opioid receptor, ...
Authors:Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C.
Deposit date:2019-07-14
Release date:2019-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
6PT3
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Crystal structure of the active delta opioid receptor in complex with the small molecule agonist DPI-287
Descriptor: 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide, Delta opioid receptor
Authors:Claff, T, Yu, J, Blais, V, Patel, N, Martin, C, Wu, L, Han, G.W, Holleran, B.J, Van der Poorten, O, Hanson, M.A, Sarret, P, Gendron, L, Cherezov, V, Katritch, V, Ballet, S, Liu, Z, Muller, C.E, Stevens, R.C.
Deposit date:2019-07-14
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Elucidating the active delta-opioid receptor crystal structure with peptide and small-molecule agonists.
Sci Adv, 5, 2019
8V8K
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Crystal Structure of Nanobody NbE
Descriptor: Nanobody NbE
Authors:Koehl, A, Manglik, A, Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Steyaert, J, Ballet, S, Boland, A, Stoeber, M.
Deposit date:2023-12-05
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist
To Be Published
8CN1
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BU of 8cn1 by Molmil
hDLG1-PDZ1 in complex with a TAX1 peptide from HTLV-1
Descriptor: Disks large homolog 1, GLU-THR-GLU-VAL, SULFATE ION
Authors:Maseko, S, Sogues, A, Volkov, A, Remaut, H, Twizere, J.C.
Deposit date:2023-02-21
Release date:2023-08-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction.
Antiviral Res., 217, 2023
8CN3
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BU of 8cn3 by Molmil
hDLG1-PDZ2 in complex with a TAX1 peptide from HTLV-1
Descriptor: Disks large homolog 1, GLU-THR-GLU-VAL
Authors:Maseko, S, Sogues, A, Volkov, A, Remaut, H, Twizere, J.C.
Deposit date:2023-02-21
Release date:2023-08-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction.
Antiviral Res., 217, 2023
8BFR
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BU of 8bfr by Molmil
The E. coli TrpD2 protein YbiB at 1.3 A resolution
Descriptor: GLYCEROL, Protein YbiB
Authors:Deckers, B, Galicia, C, Versees, W.
Deposit date:2022-10-26
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:YbiB: a novel interactor of the GTPase ObgE.
Nucleic Acids Res., 51, 2023
8BFT
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BU of 8bft by Molmil
The E. coli TrpD2 protein YbiB in complex with a C-terminal peptide from ObgE
Descriptor: DI(HYDROXYETHYL)ETHER, GTPase ObgE/CgtA, Protein YbiB
Authors:Deckers, B, Galicia, C, Versees, W.
Deposit date:2022-10-26
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:YbiB: a novel interactor of the GTPase ObgE.
Nucleic Acids Res., 51, 2023
8BE7
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BU of 8be7 by Molmil
Crystal structure of SOS1-HRas-peptidomimetic3
Descriptor: GTPase HRas, SOS1-HRas-peptidomimetic3, Son of sevenless homolog 1
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BE6
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BU of 8be6 by Molmil
Crystal structure of SOS1-HRas-peptidomimetic2
Descriptor: GTPase HRas, SOS1-HRas-peptidomimetic2, Son of sevenless homolog 1
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89880252 Å)
Cite:Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BE8
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BU of 8be8 by Molmil
Crystal structure of SOS1-HRas-peptidomimetic4
Descriptor: FORMIC ACID, GTPase HRas, SOS1-HRas-peptidomimetic4, ...
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BE9
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BU of 8be9 by Molmil
Crystal structure of SOS1-HRas-peptidomimetic5
Descriptor: CHLORIDE ION, FORMIC ACID, GTPase HRas, ...
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BEA
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BU of 8bea by Molmil
Crystal structure of SOS1-HRas-peptidomimetic10
Descriptor: GTPase HRas, SOS1-HRas-peptidomimetic10, Son of sevenless homolog 1
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-04-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BE4
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BU of 8be4 by Molmil
Crystal structure of SOS1-KRasG12V-Nanobody14
Descriptor: Isoform 2B of GTPase KRas, Nanobody14, Son of sevenless homolog 1
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-11-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric nanobodies to study the interactions between SOS1 and RAS.
Nat Commun, 15, 2024
8BE5
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BU of 8be5 by Molmil
Crystal structure of SOS1-KRasG12V-Nanobody22-Nanobody75
Descriptor: Isoform 2B of GTPase KRas, Nanobody22, Nanobody75, ...
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-11-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Allosteric nanobodies to study the interactions between SOS1 and RAS.
Nat Commun, 15, 2024
8BE2
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BU of 8be2 by Molmil
Crystal structure of SOS1-Nanobody77
Descriptor: Nanobody 77, SULFATE ION, Son of sevenless homolog 1
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-11-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.897935 Å)
Cite:Allosteric nanobodies to study the interactions between SOS1 and RAS.
Nat Commun, 15, 2024
8BE3
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BU of 8be3 by Molmil
Crystal structure of KRasG12V-Nanobody84
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ...
Authors:Fischer, B, Wohlkonig, A, Steyaert, J.
Deposit date:2022-10-21
Release date:2023-11-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric nanobodies to study the interactions between SOS1 and RAS.
Nat Commun, 15, 2024

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