5AMN
 
 | | The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors | | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J. | | Deposit date: | 2015-03-11 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity.
Eur J Med Chem, 112, 2016
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7P2I
 | | Dimethylated fusion protein of RSL and nucleoporin peptide (Nup) in complex with cucurbit[7]uril, F432 cage assembly | | Descriptor: | Fucose-binding lectin protein, cucurbit[7]uril, methyl alpha-L-fucopyranoside | | Authors: | Guagnini, F, Ramberg, K, Crowley, P.B. | | Deposit date: | 2021-07-06 | | Release date: | 2021-09-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.
Chemistry, 27, 2021
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7PR5
 | | Cocrystal of an RSL-N23H and sulfonato-thiacalix[4]arene - zinc complex | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, ZINC ION, ... | | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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7PR4
 | | Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster | | Descriptor: | Cytochrome c iso-1, HEME C, PHOSPHATE ION, ... | | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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7PR3
 | | Cocrystal Form I of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster | | Descriptor: | Cytochrome c iso-1, HEME C, PHOSPHATE ION, ... | | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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1I7G
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN FROM HUMAN PPAR-ALPHA IN COMPLEX WITH THE AGONIST AZ 242 | | Descriptor: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA, ... | | Authors: | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | Deposit date: | 2001-03-09 | | Release date: | 2002-03-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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1I7I
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242 | | Descriptor: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | | Authors: | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | Deposit date: | 2001-03-09 | | Release date: | 2002-03-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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7JTA
 | | Crystal structure of a putative nuclease with anti-Cas9 activity from an uncultured Clostridia bacterium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NITRATE ION, NTF2-like nuclease/anti-CRISPR | | Authors: | Werther, R, Forsberg, K.J, Stoddard, B.L. | | Deposit date: | 2020-08-17 | | Release date: | 2021-09-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | The novel anti-CRISPR AcrIIA22 relieves DNA torsion in target plasmids and impairs SpyCas9 activity.
Plos Biol., 19, 2021
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7PR2
 | | Cocrystal of cytochrome c and sulfonato-thiacalix[4]arene | | Descriptor: | Cytochrome c iso-1, HEME C, sulfonato-thiacalix[4]arene | | Authors: | Flood, R.J, Ramberg, K, Guagnini, F, Crowley, P.B. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Protein Frameworks with Thiacalixarene and Zinc.
Cryst.Growth Des., 22, 2022
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1P51
 | | Anabaena HU-DNA cocrystal structure (AHU6) | | Descriptor: | 5'-D(*GP*CP*AP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*T)-3', DNA-binding protein HU | | Authors: | Swinger, K.K, Lemberg, K.M, Zhang, Y, Rice, P.A. | | Deposit date: | 2003-04-24 | | Release date: | 2003-05-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Flexible DNA bending in HU-DNA cocrystal structures
Embo J., 22, 2003
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4BWM
 | | KlenTaq mutant in complex with a RNA/DNA hybrid | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOCP)-3', 5'-R(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*UP*GP*GP*UP*C)-3', ... | | Authors: | Blatter, N, Bergen, K, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2013-07-03 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Structure and Function of an RNA-Reading Thermostable DNA Polymerase.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4BWJ
 | | KlenTaq mutant in complex with DNA and ddCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOCP)-3', ... | | Authors: | Blatter, N, Bergen, K, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2013-07-03 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and Function of an RNA-Reading Thermostable DNA Polymerase.
Angew.Chem.Int.Ed.Engl., 52, 2013
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3KII
 | | AGAO 5-phenoxy-2,3-pentadienylamine complex | | Descriptor: | COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ... | | Authors: | Nguyen, Y.H, Ernberg, K.E, Guss, J.M. | | Deposit date: | 2009-11-02 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | AGAO 5-phenoxy-2,3-pentadienylamine complex
To be Published
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3KN4
 | | AGAO 6-phenyl-2,3-hexadienylamine complex | | Descriptor: | COPPER (II) ION, GLYCEROL, Phenylethylamine oxidase, ... | | Authors: | Nguyen, Y.H, Ernberg, K.E, Guss, J.M. | | Deposit date: | 2009-11-12 | | Release date: | 2010-10-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | AGAO 6-phenyl-2,3-hexadienylamine complex
To be Published
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1P78
 | | Anabaena HU-DNA cocrystal structure (AHU2) | | Descriptor: | 5'-D(*TP*GP*CP*AP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*CP*C)-3', DNA-binding protein HU | | Authors: | Swinger, K.S, Lemberg, K.M, Zhang, Y, Rice, P.A. | | Deposit date: | 2003-04-30 | | Release date: | 2003-05-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Flexible DNA bending in HU-DNA cocrystal structures
Embo J., 22, 2003
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6ZUL
 | | Crystal structure of dimethylated RSL in complex with cucurbit[7]uril and zinc | | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | | Authors: | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | | Deposit date: | 2020-07-23 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Cryst.Growth Des., 2020
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1P71
 | | Anabaena HU-DNA corcrystal structure (TR3) | | Descriptor: | 5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*AP*CP*C)-3', DNA-binding protein HU | | Authors: | Swinger, K.S, Lemberg, K.M, Zhang, Y, Rice, P.A. | | Deposit date: | 2003-04-30 | | Release date: | 2003-05-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Flexible DNA bending in HU-DNA cocrystal structures
Embo J., 22, 2003
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5G3N
 | | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | | Descriptor: | 3-(5'-BENZYL-2'-CARBAMOYLBIPHENYL-3-YL)PROPANOIC ACID, CALCIUM ION, FORMIC ACID, ... | | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | | Deposit date: | 2016-04-29 | | Release date: | 2016-09-14 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7, 2016
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5G3M
 | | Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor. | | Descriptor: | 4-BENZYLBENZAMIDE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sandmark, J, Bodin, C, Hallberg, K. | | Deposit date: | 2016-04-29 | | Release date: | 2016-09-14 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease
Acs Med.Chem.Lett., 7, 2016
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4B8N
 | | Cytochrome b5 of Ostreococcus tauri virus 2 | | Descriptor: | CYTOCHROME B5-HOST ORIGIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Isupov, M, Reid, E.L, Weynberg, K.D, Love, J, Wilson, W.H, Kelly, S.L, Lamb, D.C, Allen, M.J, Littlechild, J.A. | | Deposit date: | 2012-08-28 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Functional and Structural Characterisation of a Viral Cytochrome B5.
FEBS Lett., 587, 2013
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6ETJ
 | | HUMAN PFKFB3 IN COMPLEX WITH KAN0438241 | | Descriptor: | 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | Authors: | Gustafsson, N.M.S, Lundback, T, Farnegardh, K, Groth, P, Wiitta, E, Jonsson, M, Hallberg, K, Pennisi, R, Huguet Ninou, A, Martinsson, J, Norstrom, C, Schultz, J, Andersson, M, Markova, N, Marttila, P, Norin, M, Olin, T, Helleday, T. | | Deposit date: | 2017-10-26 | | Release date: | 2018-11-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination.
Nat Commun, 9, 2018
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6F22
 | | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | | Descriptor: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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6F1X
 | | Complex between MTH1 and compound 7 (a 7-azaindole-2-amide derivative) | | Descriptor: | 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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6F23
 | | Complex between MTH1 and compound 16 (a 4-amino-7-azaindole derivative) | | Descriptor: | 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, ... | | Authors: | Viklund, J, Tresaugues, L, Talagas, A, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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6F20
 | | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | | Authors: | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | Deposit date: | 2017-11-23 | | Release date: | 2018-03-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
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