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1LSI
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BU of 1lsi by Molmil
LSIII (NMR, 23 STRUCTURES)
Descriptor: LSIII
Authors:Connolly, P.J, Stern, A.S, Hoch, J.C.
Deposit date:1995-11-26
Release date:1996-03-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of LSIII, a long neurotoxin from the venom of Laticauda semifasciata.
Biochemistry, 35, 1996
4OR2
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BU of 4or2 by Molmil
Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide, CHOLESTEROL, ...
Authors:Wu, H, Wang, C, Gregory, K.J, Han, G.W, Cho, H.P, Xia, Y, Niswender, C.M, Katritch, V, Cherezov, V, Conn, P.J, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2014-02-10
Release date:2014-03-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator
Science, 344, 2014
3BEL
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BU of 3bel by Molmil
X-ray structure of EGFR in complex with oxime inhibitor
Descriptor: 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime, Epidermal growth factor receptor, PHOSPHATE ION
Authors:Abad, M.C, Xu, G, Neeper, M.P, Struble, G.T, Gaul, M.D, Connolly, P.J.
Deposit date:2007-11-19
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of novel 4-amino-6-arylaminopyrimidine-5-carbaldehyde oximes as dual inhibitors of EGFR and ErbB-2 protein tyrosine kinases.
Bioorg.Med.Chem.Lett., 18, 2008
1ABZ
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BU of 1abz by Molmil
ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR, 23 STRUCTURES
Descriptor: ALPHA-T-ALPHA
Authors:Fezoui, Y, Connolly, P.J, Osterhout, J.J.
Deposit date:1997-01-31
Release date:1998-02-04
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of alpha t alpha, a helical hairpin peptide of de novo design.
Protein Sci., 6, 1997
7UI5
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BU of 7ui5 by Molmil
Evolution avoids a pathological stabilizing interaction in the immune protein S100A9
Descriptor: CALCIUM ION, Protein S100-A9
Authors:Reardon, P.N, Harman, J.L, Costello, S.M, Warren, G.D, Phillips, S.R, Connor, P.J, Marqusee, S, Harms, M.J.
Deposit date:2022-03-28
Release date:2022-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Evolution avoids a pathological stabilizing interaction in the immune protein S100A9.
Proc.Natl.Acad.Sci.USA, 119, 2022
2RGP
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BU of 2rgp by Molmil
Structure of EGFR in complex with hydrazone, a potent dual inhibitor
Descriptor: Epidermal growth factor receptor, N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine, PHOSPHATE ION
Authors:Abad, M.C.
Deposit date:2007-10-04
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:4-Amino-6-arylamino-pyrimidine-5-carbaldehyde hydrazones as potent ErbB-2/EGFR dual kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
5C37
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BU of 5c37 by Molmil
Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor
Descriptor: 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, CHLORIDE ION, Fatty acid synthase, ...
Authors:Schubert, C, Milligan, C.M, Vo, K, Grasberger, B.
Deposit date:2015-06-17
Release date:2016-06-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.
Bioorg.Med.Chem.Lett., 28, 2018

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