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2NPU
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BU of 2npu by Molmil
The solution structure of the rapamycin-binding domain of mTOR (FRB)
Descriptor: FKBP12-rapamycin complex-associated protein
Authors:Veverka, V, Crabbe, T, Bird, I, Lennie, G, Muskett, F.W, Taylor, R.J, Carr, M.D.
Deposit date:2006-10-30
Release date:2007-09-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of the interaction of mTOR with phosphatidic acid and a novel class of inhibitor: compelling evidence for a central role of the FRB domain in small molecule-mediated regulation of mTOR.
Oncogene, 27, 2008
2L3Y
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BU of 2l3y by Molmil
Solution structure of mouse IL-6
Descriptor: Interleukin-6
Authors:Veverka, V, Redpath, N.T, Carrington, B, Muskett, F.W, Taylor, R.J, Henry, A.J, Carr, M.D.
Deposit date:2010-09-25
Release date:2011-09-28
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Conservation of functional sites on interleukin-6 and implications for evolution of signaling complex assembly and therapeutic intervention.
J.Biol.Chem., 287, 2012
2KH2
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BU of 2kh2 by Molmil
Solution structure of a scFv-IL-1B complex
Descriptor: Interleukin-1 beta, scFv
Authors:Wilkinson, I.C, Hall, C.J, Veverka, V, Muskett, F.W, Stephens, P.E, Taylor, R.J, Henry, A.J, Carr, M.D.
Deposit date:2009-03-23
Release date:2009-09-08
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:High resolution NMR-based model for the structure of a scFv-IL-1beta complex: potential for NMR as a key tool in therapeutic antibody design and development.
J.Biol.Chem., 284, 2009
2K8P
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BU of 2k8p by Molmil
Characterisation of the structural features and interactions of sclerostin: molecular insight into a key regulator of Wnt-mediated bone formation
Descriptor: Sclerostin
Authors:Veverka, V, Henry, A.J, Slocombe, P.M, Ventom, A, Mulloy, B, Muskett, F.W, Muzylak, M, Greenslade, K, Moore, A, Zhang, L, Gong, J, Qian, X, Paszty, C, Taylor, R.J, Robinson, M.K, Carr, M.D.
Deposit date:2008-09-18
Release date:2009-02-17
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Characterization of the Structural Features and Interactions of Sclerostin: Molecular insight into a key regulator of Wnt-mediated bone formation
J.Biol.Chem., 284, 2009
1RD4
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BU of 1rd4 by Molmil
An allosteric inhibitor of LFA-1 bound to its I-domain
Descriptor: 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE, Integrin alpha-L
Authors:Crump, M.P, Ceska, T.A, Spyracopoulos, L, Henry, A, Archibald, S.C, Alexander, R, Taylor, R.J, Findlow, S.C, O'Connell, J, Robinson, M.K, Shock, A.
Deposit date:2003-11-05
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry
Biochemistry, 43, 2004
6QGM
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BU of 6qgm by Molmil
VirX1 apo structure
Descriptor: VirX1
Authors:Gkotsi, D.S, Ludewig, H, Sharma, S.V, Unsworth, W.P, Taylor, R.J.K, McLachlan, M.M.W, Shanahan, S, Naismith, J.H, Goss, R.J.M.
Deposit date:2019-01-11
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A marine viral halogenase that iodinates diverse substrates.
Nat.Chem., 11, 2019
6Z3X
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BU of 6z3x by Molmil
Crystal structure of the designed antibody DesAb-anti-HSA-P1
Descriptor: CACODYLATE ION, DesAb-anti-HSA-P1, IMIDAZOLE, ...
Authors:Costanzi, E, Sormanni, P, Ricagno, S.
Deposit date:2020-05-22
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Fragment-based computational design of antibodies targeting structured epitopes.
Sci Adv, 8, 2022
7OUB
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BU of 7oub by Molmil
High resolution structure of Alpha-1-acid glycoprotein bound to potent anti-tumour compound UCN-01
Descriptor: 7-HYDROXYSTAUROSPORINE, Alpha-1-acid glycoprotein 2
Authors:Landin, E.J.B, Williams, C, Crump, M.P.
Deposit date:2021-06-11
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The structural basis for high affinity binding of alpha 1-acid glycoprotein to the potent antitumor compound UCN-01.
J.Biol.Chem., 297, 2021
7PQP
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BU of 7pqp by Molmil
tau-microtubule structural ensemble based on CryoEM data
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Isoform Tau-F of Microtubule-associated protein tau, ...
Authors:Brotzakis, Z.F, Vendruscolo, M.
Deposit date:2021-09-18
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:A Structural Ensemble of a Tau-Microtubule Complex Reveals Regulatory Tau Phosphorylation and Acetylation Mechanisms.
Acs Cent.Sci., 7, 2021
7PQC
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BU of 7pqc by Molmil
tau-microtubule structural ensemble based on CryoEM data
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Isoform Tau-F of Microtubule-associated protein tau, ...
Authors:Brotzakis, Z.F, Vendruscolo, M.
Deposit date:2021-09-16
Release date:2021-12-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:A Structural Ensemble of a Tau-Microtubule Complex Reveals Regulatory Tau Phosphorylation and Acetylation Mechanisms.
Acs Cent.Sci., 7, 2021
6MJP
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BU of 6mjp by Molmil
LptB(E163Q)FGC from Vibrio cholerae
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 6-cyclohexylhexyl beta-D-glucopyranoside, ABC transporter ATP-binding protein, ...
Authors:Owens, T.W, Kahne, D, Kruse, A.C.
Deposit date:2018-09-21
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of unidirectional export of lipopolysaccharide to the cell surface.
Nature, 567, 2019
6MIT
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BU of 6mit by Molmil
LptBFGC from Enterobacter cloacae
Descriptor: CHLORIDE ION, LPS export ABC transporter permease LptF, Lipopolysaccharide export system ATP-binding protein, ...
Authors:Owens, T.W, Kahne, D, Kruse, A.C.
Deposit date:2018-09-20
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of unidirectional export of lipopolysaccharide to the cell surface.
Nature, 567, 2019
5O57
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BU of 5o57 by Molmil
Solution Structure of the N-terminal Region of Dkk4
Descriptor: Dickkopf-related protein 4
Authors:Waters, L.C, Patel, S, Barkell, A.M, Muskett, F.W, Robinson, M.K, Holdsworth, G, Carr, M.D.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional analysis of Dickkopf 4 (Dkk4): New insights into Dkk evolution and regulation of Wnt signaling by Dkk and Kremen proteins.
J. Biol. Chem., 293, 2018
8CDG
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BU of 8cdg by Molmil
Crystal structure of human IL-17A cytokine in complex with macrocycle
Descriptor: (9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid, Interleukin-17A
Authors:Schulze, M.-S.
Deposit date:2023-01-30
Release date:2023-12-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Modulation of IL-17 backbone dynamics reduces receptor affinity and reveals a new inhibitory mechanism.
Chem Sci, 14, 2023

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