8E5C
 
 | | Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | Shaqra, A.M, Schiffer, C.A. | | Deposit date: | 2022-08-20 | | Release date: | 2024-02-07 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
|
|
8DT9
 | | Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ... | | Authors: | Shaqra, A.M, Schiffer, C.A. | | Deposit date: | 2022-07-25 | | Release date: | 2024-02-07 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
|
|
4RUT
 | | crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid | | Descriptor: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. | | Deposit date: | 2014-11-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase.
J.Biol.Chem., 290, 2015
|
|
4HCP
 | |
5NAQ
 | |
4GQX
 | | Crystal structure of EIIA(NTR) from Burkholderia pseudomallei | | Descriptor: | PTS IIA-like nitrogen-regulatory protein PtsN | | Authors: | Kim, M.-S, Shin, D.H. | | Deposit date: | 2012-08-24 | | Release date: | 2013-03-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | New molecular interaction of IIA(Ntr) and HPr from Burkholderia pseudomallei identified by X-ray crystallography and docking studies
Proteins, 81, 2013
|
|
8E4W
 | |
5URE
 | | Wild type rat CYPOR bound with NADP+ - reduced form | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Xia, C, Kim, J.J. | | Deposit date: | 2017-02-10 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer.
Biochemistry, 57, 2018
|
|
4RW2
 | | Hen egg-white lysozyme structure from a spent-beam experiment at LCLS: refocused beam | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boutet, S, Foucar, L, Barends, T, Doak, R.B, Koglin, J.E, Messerschmidt, M, Nass, K, Schlichting, I, Shoeman, R, Williams, G.J. | | Deposit date: | 2014-12-01 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization and use of the spent beam for serial operation of LCLS.
J.SYNCHROTRON RADIAT., 22, 2015
|
|
8EY9
 | | Structure of Arabidopsis fatty acid amide hydrolase mutant S305A in complex with 9-hydroxy-10,12-octadecadienoyl-ethanolamide | | Descriptor: | (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide, Fatty acid amide hydrolase | | Authors: | Aziz, M, Wang, X, Gaguancela, O.A, Chapman, K.D. | | Deposit date: | 2022-10-26 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Structural interactions explain the versatility of FAAH in the hydrolysis of plant and microbial acyl amide signals
To be published
|
|
1LF3
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR EH58 | | Descriptor: | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE, plasmepsin 2 | | Authors: | Asojo, O.A, Gulnik, S.V, Afonina, E, Yu, B, Ellman, J.A, Haque, T.S, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Novel uncomplexed and complexed structures of plasmepsin II, an aspartic protease from Plasmodium falciparum.
J.Mol.Biol., 327, 2003
|
|
5NDD
 | | Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution | | Descriptor: | (~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, PHOSPHATE ION, ... | | Authors: | Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N. | | Deposit date: | 2017-03-08 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
|
|
8EWW
 | |
4RX0
 | | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265 | | Descriptor: | 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Deng, X, Phillips, M, Tomchick, D. | | Deposit date: | 2014-12-08 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
|
|
4HFH
 | | The GLIC pentameric Ligand-Gated Ion Channel (wild-type) complexed to bromoform | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
|
|
1D2G
 | | CRYSTAL STRUCTURE OF R175K MUTANT GLYCINE N-METHYLTRANSFERASE FROM RAT LIVER | | Descriptor: | GLYCINE N-METHYLTRANSFERASE | | Authors: | Huang, Y, Komoto, J, Takusagawa, F, Konishi, K, Takata, Y. | | Deposit date: | 1999-10-08 | | Release date: | 1999-10-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanisms for auto-inhibition and forced product release in glycine N-methyltransferase: crystal structures of wild-type, mutant R175K and S-adenosylhomocysteine-bound R175K enzymes.
J.Mol.Biol., 298, 2000
|
|
5URD
 | | wild type rat CYPOR bound with NADP+ - oxidized form | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Xia, C, Kim, J.J. | | Deposit date: | 2017-02-10 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer.
Biochemistry, 57, 2018
|
|
4AKT
 | | PatG macrocyclase in complex with peptide | | Descriptor: | SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE | | Authors: | Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H. | | Deposit date: | 2012-02-28 | | Release date: | 2012-07-18 | | Last modified: | 2013-11-06 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
|
|
5N6N
 | | CRYSTAL STRUCTURE OF THE 14-3-3:NEUTRAL TREHALASE NTH1 COMPLEX | | Descriptor: | CALCIUM ION, Neutral trehalase, Protein BMH1, ... | | Authors: | Alblova, M, Smidova, A, Obsilova, V, Obsil, T. | | Deposit date: | 2017-02-15 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Molecular basis of the 14-3-3 protein-dependent activation of yeast neutral trehalase Nth1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
1LIF
 | |
5UVI
 | | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | Authors: | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | | Deposit date: | 2017-02-20 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
|
|
3P7Z
 | |
8BYG
 | | fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648) | | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, ~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide | | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | | Deposit date: | 2022-12-12 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
4RZH
 | | Crystal structure of FabG from Synechocystis sp. PCC 6803 | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase | | Authors: | Liu, Y, Xue, S. | | Deposit date: | 2014-12-22 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-directed construction of a high-performance version of the enzyme FabG from the photosynthetic microorganism Synechocystis sp. PCC 6803.
Febs Lett., 589, 2015
|
|
8EQ8
 | |
