6BFI
 
 | |
6B31
 | | Structure of RORgt in complex with a novel inverse agonist 2 | | Descriptor: | (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2017-09-20 | | Release date: | 2018-08-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Identification of novel quinazolinedione derivatives as ROR gamma t inverse agonist.
Bioorg. Med. Chem., 26, 2018
|
|
4YBF
 | | Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 1.25 A Resolution | | Descriptor: | Candidapepsin-2, DI(HYDROXYETHYL)ETHER | | Authors: | Dostal, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Brynda, J, Mareckova, L, Pichova, I. | | Deposit date: | 2015-02-18 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
1YUT
 | | Solution structure of Calcium-S100A13 (minimized mean structure) | | Descriptor: | CALCIUM ION, S100 calcium-binding protein A13 | | Authors: | Arnesano, F, Banci, L, Bertini, I, Fantoni, A, Tenori, L, Viezzoli, M.S, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-02-14 | | Release date: | 2005-10-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural Interplay between Calcium(II) and Copper(II) Binding to S100A13 Protein
Angew.Chem.Int.Ed.Engl., 44, 2005
|
|
3C00
 | | Crystal structural of the mutated G247T EscU/SpaS C-terminal domain | | Descriptor: | EscU | | Authors: | Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J. | | Deposit date: | 2008-01-18 | | Release date: | 2008-04-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS.
Nature, 453, 2008
|
|
1ZCF
 | |
5A6R
 | | Crystal structure of the BTB domain of human KCTD17 | | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | | Authors: | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-06-30 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
|
|
3RTP
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | Descriptor: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | Authors: | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | Deposit date: | 2011-05-03 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
3C3Q
 | | ALIX Bro1-domain:CHMIP4B co-crystal structure | | Descriptor: | Charged multivesicular body protein 4b peptide, GLYCEROL, Programmed cell death 6-interacting protein | | Authors: | McCullough, J.B, Fisher, R.D, Whitby, F.G, Sundquist, W.I, Hill, C.P. | | Deposit date: | 2008-01-28 | | Release date: | 2008-06-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | ALIX-CHMP4 interactions in the human ESCRT pathway.
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
7LCJ
 | | PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R):Gs complex | | Descriptor: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor | | Authors: | Belousoff, M.J, Johnson, R.M, Drulyte, I, Yu, L, Kotecha, A, Danev, R, Wootten, D, Zhang, X, Sexton, P.M. | | Deposit date: | 2021-01-11 | | Release date: | 2021-01-20 | | Last modified: | 2021-09-15 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Evolving cryo-EM structural approaches for GPCR drug discovery.
Structure, 29, 2021
|
|
6GMS
 | | Solution NMR structure of the major type IV pilin PpdD from enterohemorrhagic Escherichia coli (EHEC) | | Descriptor: | Prepilin peptidase-dependent protein D | | Authors: | Amorim, G.C, Bardiaux, B, Luna-Rico, A, Zeng, W, Guilvout, I, Egelman, E, Nilges, M, Francetic, O, Izadi-Pruneyre, N. | | Deposit date: | 2018-05-28 | | Release date: | 2019-05-15 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure and Assembly of the Enterohemorrhagic Escherichia coli Type 4 Pilus.
Structure, 27, 2019
|
|
7LCK
 | | PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R) | | Descriptor: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor | | Authors: | Belousoff, M.J, Johnson, R.M, Drulyte, I, Yu, L, Kotecha, A, Danev, R, Wootten, D, Zhang, X, Sexton, P.M. | | Deposit date: | 2021-01-11 | | Release date: | 2021-01-20 | | Last modified: | 2021-09-15 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Evolving cryo-EM structural approaches for GPCR drug discovery.
Structure, 29, 2021
|
|
6CQE
 | | Crystal structure of HPK1 kinase domain S171A mutant | | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W. | | Deposit date: | 2018-03-15 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.886 Å) | | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
|
|
1Z1F
 | | Crystal structure of stilbene synthase from Arachis hypogaea (resveratrol-bound form) | | Descriptor: | CITRIC ACID, RESVERATROL, stilbene synthase | | Authors: | Shomura, Y, Torayama, I, Suh, D.Y, Xiang, T, Kita, A, Sankawa, U, Miki, K. | | Deposit date: | 2005-03-03 | | Release date: | 2005-08-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of stilbene synthase from Arachis hypogaea
Proteins, 60, 2005
|
|
5AJZ
 | | Human PFKFB3 in complex with an indole inhibitor 5 | | Descriptor: | 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
|
|
6CED
 | | Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
|
|
6GY7
 | | Crystal structure of XaxB from Xenorhabdus nematophil | | Descriptor: | XaxB | | Authors: | Schubert, E, Raunser, S, Vetter, I.R, Prumbaum, D, Penczek, P.A. | | Deposit date: | 2018-06-28 | | Release date: | 2018-07-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Membrane insertion of alpha-xenorhabdolysin in near-atomic detail.
Elife, 7, 2018
|
|
1NT8
 | | Structural Characterisation of the Holliday junction formed by the sequence CCGGTACCGG at 2.00 A | | Descriptor: | 5'-d(CpCpGpGpTpApCpCpGpG)-3', CALCIUM ION | | Authors: | Cardin, C.J, Gale, B.C, Thorpe, J.H, Texieira, S.C.M, Gan, Y, Moraes, M.I.A.A, Brogden, A.L. | | Deposit date: | 2003-01-29 | | Release date: | 2003-02-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of two Holliday Junctions formed by the sequences TCGGTACCGA and CCGGTACCGG
To be Published
|
|
6CMH
 | | SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST | | Descriptor: | PROTEIN (ENDOTHELIN-1) | | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | | Deposit date: | 1998-09-03 | | Release date: | 1999-09-29 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
|
|
4ZZK
 | | Crystal structure of truncated FlgD (monoclinic form) from the human pathogen Helicobacter pylori | | Descriptor: | Basal-body rod modification protein FlgD | | Authors: | Pulic, I, Cendron, L, Salamina, M, Matkovic-Calogovic, D, Zanotti, G. | | Deposit date: | 2015-05-22 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of truncated FlgD from the human pathogen Helicobacter pylori.
J.Struct.Biol., 194, 2016
|
|
6GS3
 | |
5AK0
 | | Human PFKFB3 in complex with an indole inhibitor 6 | | Descriptor: | (2S)-N-[4-[1-METHYL-3-(1-METHYLPYRAZOL-4-YL)INDOL-5-YL]OXYPHENYL]PYRROLIDINE-2-CARBOXAMIDE, 6-O-phosphono-beta-D-fructofuranose, 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
|
|
1LNM
 | |
1L7C
 | | alpha-catenin fragment, residues 385-651 | | Descriptor: | Alpha E-catenin | | Authors: | Pokutta, S, Drees, F, Takai, Y, Nelson, W.J, Weis, W.I. | | Deposit date: | 2002-03-14 | | Release date: | 2002-06-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Biochemical and structural definition of the l-afadin- and actin-binding sites of alpha-catenin.
J.Biol.Chem., 277, 2002
|
|
2CLE
 | | Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - lowF6 complex | | Descriptor: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ... | | Authors: | Ngo, H, Harris, R, Kimmich, N, Casino, P, Niks, D, Blumenstein, L, Barends, T.R, Kulik, V, Weyand, M, Schlichting, I, Dunn, M.F. | | Deposit date: | 2006-04-27 | | Release date: | 2007-06-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
|
|
