8CWF
| 200us Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
|
|
8CW5
| 200us Temperature-Jump (Light) XFEL structure of Lysozyme | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-18 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
|
|
2W06
| Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c | Descriptor: | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Byth, K.F, Culshaw, J.D, Finlay, M.R.V, Fisher, E, Mcmiken, H.H.J, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-09-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors Bioorg.Med.Chem.Lett., 18, 2008
|
|
8CWC
| 20ns Temperature-Jump (Light) XFEL structure of Lysozyme Bound to N,N'-diacetylchitobiose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Wolff, A.M, Thompson, M.C, Fraser, J.S, Nango, E. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein dynamics at high spatial resolution with temperature-jump X-ray crystallography. Nat.Chem., 15, 2023
|
|
2VO2
| Crystal structure of soybean ascorbate peroxidase mutant W41A subjected to low dose X-rays | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase. Biochemistry, 47, 2008
|
|
5AN1
| |
6D6Q
| |
7C08
| Crystal structure of S34Y mutant of yeast U2AF1 complex bound to 3' splice site RNA, 5'-UAGGU. | Descriptor: | RNA (5'-R(*U*UP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ... | Authors: | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | Deposit date: | 2020-04-30 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1. Nat Commun, 11, 2020
|
|
3N7U
| NAD-dependent formate dehydrogenase from higher-plant Arabidopsis thaliana in complex with NAD and azide | Descriptor: | AZIDE ION, Formate dehydrogenase, GLYCEROL, ... | Authors: | Shabalin, I.G, Polyakov, K.M, Serov, A.E, Skirgello, O.E, Sadykhov, E.G, Dorovatovskiy, P.V, Tishkov, V.I, Popov, V.O. | Deposit date: | 2010-05-27 | Release date: | 2010-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the apo and holo forms of NAD-dependent formate dehydrogenase from the higher-plant Arabidopsis Thaliana To be Published
|
|
2MD6
| NMR SOLUTION STRUCTURE OF ALPHA CONOTOXIN LO1A FROM Conus longurionis | Descriptor: | ALPHA CONOTOXIN LO1A | Authors: | Maiti, M, Lescrinier, E, Herdewijn, P, Lebbe, E.K.M, Peigneur, S, D'Souza, L, Tytgat, J. | Deposit date: | 2013-09-01 | Release date: | 2014-03-05 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure-Function Elucidation of a New alpha-Conotoxin, Lo1a, from Conus longurionis. J.Biol.Chem., 289, 2014
|
|
3NM1
| The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | Descriptor: | 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, MAGNESIUM ION, ... | Authors: | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | Deposit date: | 2010-06-21 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.211 Å) | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
|
|
4E1V
| X-RAY Structure of the Uridine Phosphorylase from Salmonella Typhimurium in Complex with 5-Fluorouracil at 2.15 A Resolution | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, GLYCEROL, ... | Authors: | Lashkov, A.A, Sotnichenko, S.E, Prokofev, I.I, Gabdoulkhakov, A.G, Mikhailov, A.M. | Deposit date: | 2012-03-07 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae. Acta Crystallogr.,Sect.D, 68, 2012
|
|
5TM1
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,5-bis(2-fluoro-4-hydroxyphenyl)thiophene 1-oxide | Descriptor: | 2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Wright, N.J, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.231 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
|
|
4HBI
| SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, DEOXY FORM | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Royer Junior, W.E. | Deposit date: | 1998-06-24 | Release date: | 1998-11-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity. J.Mol.Biol., 284, 1998
|
|
5TCE
| |
3HOD
| Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | Descriptor: | (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | Deposit date: | 2009-06-02 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function J.Med.Chem., 52, 2009
|
|
7Q5W
| The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
|
|
6DHC
| X-ray structure of BACE1 in complex with a bicyclic isoxazoline carboxamide as the P3 ligand | Descriptor: | (3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide, Beta-secretase 1, GLYCEROL, ... | Authors: | Mesecar, A.D, Lendy, E.K. | Deposit date: | 2018-05-19 | Release date: | 2018-07-25 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand. Bioorg. Med. Chem. Lett., 28, 2018
|
|
7Q63
| The tandem SH2 domains of SYK | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-05 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
|
|
7Q5U
| The tandem SH2 domains of SYK with a bound CD3G diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
|
|
7Q5T
| The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ... | Authors: | Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E. | Deposit date: | 2021-11-04 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The tandem SH2 domains of SYK To Be Published
|
|
10MH
| TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET | Descriptor: | DNA (5'-D(P*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*5NCP*GP*CP*AP*TP*GP*G)-3'), PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI), ... | Authors: | Sheikhnejad, G, Brank, A, Christman, J.K, Goddard, A, Alvarez, E, Ford Junior, H, Marquez, V.E, Marasco, C.J, Sufrin, J.R, O'Gara, M, Cheng, X. | Deposit date: | 1998-08-10 | Release date: | 1999-02-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Mechanism of inhibition of DNA (cytosine C5)-methyltransferases by oligodeoxyribonucleotides containing 5,6-dihydro-5-azacytosine. J.Mol.Biol., 285, 1999
|
|
7QCQ
| VHH Z70 in interaction with PHF6 Tau peptide | Descriptor: | GLYCEROL, Tau 301-312, VHH Z70 | Authors: | Danis, C, Dupre, E, Zejneli, O, Caillierez, R, Arrial, A, Begard, S, Loyens, A, Mortelecque, J, Cantrelle, F.-X, Hanoulle, X, Rain, J.-C, Colin, M, Buee, L, Landrieu, I. | Deposit date: | 2021-11-25 | Release date: | 2021-12-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Inhibition of Tau seeding by targeting Tau nucleation core within neurons with a single domain antibody fragment. Mol.Ther., 30, 2022
|
|
1ALI
| ALKALINE PHOSPHATASE MUTANT (H412N) | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ma, L, Tibbitts, T.T, Kantrowitz, E.R. | Deposit date: | 1995-06-02 | Release date: | 1995-11-14 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Escherichia coli alkaline phosphatase: X-ray structural studies of a mutant enzyme (His-412-->Asn) at one of the catalytically important zinc binding sites. Protein Sci., 4, 1995
|
|
2VR3
| Structural and Biochemical Characterization of Fibrinogen binding to ClfA from Staphylocccus aureus | Descriptor: | CLUMPING FACTOR A, FIBRINOGEN GAMMA-CHAIN | Authors: | Ganesh, V.K, Rivera, J.J, Smeds, E, Bowden, M.G, Wann, E.R, Gurusidappa, S, Fitzgerald, J.R, Hook, M. | Deposit date: | 2008-03-25 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Structural Model of the Staphylococcus Aureus Clfa-Fibrinogen Interaction Opens New Avenues for the Design of Anti-Staphylococcal Therapeutics. Plos Pathog., 4, 2008
|
|