6I61
 
 | | Crystal structure of human ERRg LBD in complex with bisphenol-B | | Descriptor: | 1,2-ETHANEDIOL, Estrogen-related receptor gamma, GLYCEROL, ... | | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | | Deposit date: | 2018-11-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
|
|
6SSO
 | | EDN mutant L45H | | Descriptor: | ACETATE ION, Non-secretory ribonuclease | | Authors: | Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E. | | Deposit date: | 2019-09-08 | | Release date: | 2021-10-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.211 Å) | | Cite: | Structural and functional characterization of new family enzymes derivates from human RNase 1 and 3 with antimicrobial and ribonuclease activity
To Be Published
|
|
6SSN
 | | RNASE 3/1 version3 | | Descriptor: | GLYCEROL, PHOSPHATE ION, RNase 3/1 version3 | | Authors: | Fernandez-Millan, P, Prats-Ejarque, G, Vazquez-Monteagudo, S, Boix, E. | | Deposit date: | 2019-09-08 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.511 Å) | | Cite: | Exploring the RNase A scaffold to combine catalytic and antimicrobial activities. Structural characterization of RNase 3/1 chimeras.
Front Mol Biosci, 9, 2022
|
|
6T8H
 | | Cryo-EM structure of the DNA-bound PolD-PCNA processive complex from P. abyssi | | Descriptor: | DNA polymerase II small subunit, DNA polymerase sliding clamp, DNA primer, ... | | Authors: | Madru, C, Raia, P, Hugonneau Beaufet, I, Pehau-Arnaudet, G, England, P, Lindhal, E, Delarue, M, Carroni, M, Sauguet, L. | | Deposit date: | 2019-10-24 | | Release date: | 2020-03-04 | | Last modified: | 2020-04-08 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.
Nat Commun, 11, 2020
|
|
2PKY
 | | The Effect of Deuteration on Protein Structure A High Resolution Comparison of Hydrogenous and Perdeuterated Haloalkane Dehalogenase | | Descriptor: | Haloalkane dehalogenase | | Authors: | Liu, X, Hanson, L, Langan, P, Viola, R.E. | | Deposit date: | 2007-04-18 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The effect of deuteration on protein structure: a high-resolution comparison of hydrogenous and perdeuterated haloalkane dehalogenase.
Acta Crystallogr.,Sect.D, 63, 2007
|
|
2O2U
 | | Crystal structure of human JNK3 complexed with N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | | Descriptor: | Mitogen-activated protein kinase 10, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide | | Authors: | Somers, D, Rowland, P. | | Deposit date: | 2006-11-30 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3.
Bioorg.Med.Chem.Lett., 17, 2007
|
|
2GVE
 | | Time-of-Flight Neutron Diffraction Structure of D-Xylose Isomerase | | Descriptor: | COBALT (II) ION, Xylose isomerase | | Authors: | Katz, A.K, Li, X, Carrell, H.L, Hanson, B.L, Langan, P, Coates, L, Schoenborn, B.P, Glusker, J.P, Bunick, G.J. | | Deposit date: | 2006-05-02 | | Release date: | 2006-05-16 | | Last modified: | 2023-08-30 | | Method: | NEUTRON DIFFRACTION (2.2 Å) | | Cite: | Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2JAI
 | | DDAH1 complexed with citrulline | | Descriptor: | CITRULLINE, NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | | Authors: | Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
|
|
2JAJ
 | | DDAH1 complexed with L-257 | | Descriptor: | NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1, N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE | | Authors: | Murray-Rust, J, O'Hara, B.P, Rossiter, S, Leiper, J.M, Vallance, P, McDonald, N.Q. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Disruption of methylarginine metabolism impairs vascular homeostasis.
Nat. Med., 13, 2007
|
|
6ZAA
 | | PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide | | Descriptor: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-15 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
|
|
6ZAC
 | | PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
|
|
6ZAD
 | | PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
|
|
3NOQ
 | | Crystal Structure of C101S Isocyanide Hydratase from Pseudomonas fluorescens | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ThiJ/PfpI family protein | | Authors: | Lakshminarasimhan, M, Madzelan, P, Nan, R, Milkovic, N.M, Wilson, M.A. | | Deposit date: | 2010-06-25 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Evolution of New Enzymatic Function by Structural Modulation of Cysteine Reactivity in Pseudomonas fluorescens Isocyanide Hydratase.
J.Biol.Chem., 285, 2010
|
|
3NOR
 | | Crystal Structure of T102S Isocyanide Hydratase from Pseudomonas fluorescens | | Descriptor: | CITRIC ACID, ThiJ/PfpI family protein | | Authors: | Lakshminarasimhan, M, Madzelan, P, Nan, R, Milkovic, N.M, Wilson, M.A. | | Deposit date: | 2010-06-25 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of New Enzymatic Function by Structural Modulation of Cysteine Reactivity in Pseudomonas fluorescens Isocyanide Hydratase.
J.Biol.Chem., 285, 2010
|
|
3NOV
 | | Crystal Structure of D17E Isocyanide Hydratase from Pseudomonas fluorescens | | Descriptor: | ACETATE ION, ThiJ/PfpI family protein | | Authors: | Lakshminarasimhan, M, Madzelan, P, Nan, R, Milkovic, N.M, Wilson, M.A. | | Deposit date: | 2010-06-25 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Evolution of New Enzymatic Function by Structural Modulation of Cysteine Reactivity in Pseudomonas fluorescens Isocyanide Hydratase.
J.Biol.Chem., 285, 2010
|
|
3NPZ
 | | Prolactin Receptor (PRLR) Complexed with the Natural Hormone (PRL) | | Descriptor: | Prolactin, Prolactin receptor | | Authors: | Van Agthoven, J, England, P, Goffin, V, Broutin, I. | | Deposit date: | 2010-06-29 | | Release date: | 2010-10-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Structural characterization of the stem-stem dimerization interface between prolactin receptor chains complexed with the natural hormone.
J.Mol.Biol., 404, 2010
|
|
5LXL
 | | NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10 | | Descriptor: | Decoration protein | | Authors: | Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S. | | Deposit date: | 2016-09-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
|
|
5FN0
 | | Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180 | | Descriptor: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE | | Authors: | Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P. | | Deposit date: | 2015-11-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis.
Nat.Med. (N.Y.), 22, 2016
|
|
2XUE
 | | CRYSTAL STRUCTURE OF JMJD3 | | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ... | | Authors: | Chung, C, Rowland, P, Mosley, J, Thomas, P.J. | | Deposit date: | 2010-10-19 | | Release date: | 2011-12-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
|
|
2XFK
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide | | Descriptor: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE | | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2010-05-24 | | Release date: | 2010-07-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
|
|
5LXK
 | | NMR structure of the C-terminal domain of the Bacteriophage T5 decoration protein pb10. | | Descriptor: | Decoration protein | | Authors: | Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S. | | Deposit date: | 2016-09-22 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
|
|
2XFJ
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2010-05-24 | | Release date: | 2010-07-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
|
|
5OB3
 | | iSpinach aptamer | | Descriptor: | 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, POTASSIUM ION, RNA aptamer (69-MER), ... | | Authors: | Fernandez-Millan, P, Autour, A, Westhof, E, Ryckelynck, M. | | Deposit date: | 2017-06-26 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Crystal structure and fluorescence properties of the iSpinach aptamer in complex with DFHBI.
RNA, 23, 2017
|
|
3NOO
 | | Crystal Structure of C101A Isocyanide Hydratase from Pseudomonas fluorescens | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ThiJ/PfpI family protein | | Authors: | Lakshminarasimhan, M, Madzelan, P, Nan, R, Milkovic, N.M, Wilson, M.A. | | Deposit date: | 2010-06-25 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Evolution of New Enzymatic Function by Structural Modulation of Cysteine Reactivity in Pseudomonas fluorescens Isocyanide Hydratase.
J.Biol.Chem., 285, 2010
|
|
4BIE
 | | Crystal Structures of Ask1-inhibitor Complexes | | Descriptor: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide | | Authors: | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | | Deposit date: | 2013-04-10 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design.
Protein Sci., 22, 2013
|
|
