4CVI
 
 | | Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature | | Descriptor: | CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2014-03-27 | | Release date: | 2014-07-16 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION | | Cite: | Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
|
|
6I4F
 | | Crystal Structure of Plasmodium falciparum actin I (A272W mutant) in the Mg-K-ATP/ADP state | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | | Deposit date: | 2018-11-09 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
|
|
3DL6
 | | Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... | | Authors: | Martucci, W.E, Vargo, M.A, Anderson, K.S. | | Deposit date: | 2008-06-26 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase.
Biochemistry, 47, 2008
|
|
3NL3
 | | The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | | Descriptor: | MAGNESIUM ION, THIAMIN PHOSPHATE, Thiamine biosynthetic bifunctional enzyme | | 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 (3.007 Å) | | Cite: | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
|
|
6ICJ
 | | Crystal structure of PPARgamma with compound BR102375K | | Descriptor: | 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one, GLYCEROL, Nuclear receptor coactivator 1, ... | | Authors: | Hong, E, Chin, J, Jang, T.H, Kim, K.H, Jung, W, Kim, S.H. | | Deposit date: | 2018-09-06 | | Release date: | 2019-09-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.483 Å) | | Cite: | Crystal structure of PPARgamma with compound BR102375K
To Be Published
|
|
8DYD
 | | Crystal structure of human SDHA-SDHAF2-SDHAF4 assembly intermediate | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | Deposit date: | 2022-08-04 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
|
|
8DYE
 | | Crystal structure of human SDHA-SDHAF4 assembly intermediate | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | Deposit date: | 2022-08-04 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
|
|
6EEH
 | | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | | Descriptor: | Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION | | Authors: | Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P. | | Deposit date: | 2018-08-14 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.629 Å) | | Cite: | 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
|
|
4MZ9
 | | Revised structure of E. coli SSB | | Descriptor: | Single-stranded DNA-binding protein | | Authors: | Oakley, A.J. | | Deposit date: | 2013-09-29 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Intramolecular binding mode of the C-terminus of Escherichia coli single-stranded DNA binding protein determined by nuclear magnetic resonance spectroscopy.
Nucleic Acids Res., 42, 2014
|
|
6WGM
 | | Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A. | | Deposit date: | 2020-04-05 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate
To Be Published
|
|
1KRA
 | |
1KRC
 | |
1KRB
 | |
6I4D
 | | Crystal Structure of Plasmodium falciparum actin I in the Mg-K-ATP/ADP state | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I. | | Deposit date: | 2018-11-09 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
|
|
6I53
 | | Cryo-EM structure of the human synaptic alpha1-beta3-gamma2 GABAA receptor in complex with Megabody38 in a lipid nanodisc | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | | Authors: | Laverty, D, Desai, R, Uchanski, T, Masiulis, S, Wojciech, J.S, Malinauskas, T, Zivanov, J, Pardon, E, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-11-12 | | Release date: | 2019-01-02 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the human alpha 1 beta 3 gamma 2 GABAAreceptor in a lipid bilayer.
Nature, 565, 2019
|
|
6I5T
 | |
1DT6
 | | STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5 | | Descriptor: | CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ... | | Authors: | Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E. | | Deposit date: | 2000-01-11 | | Release date: | 2000-09-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
|
|
6WVM
 | | High curvature lateral interaction within a 13-protofilament, Taxol stabilized microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V. | | Deposit date: | 2020-05-06 | | Release date: | 2020-05-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
2WKE
 | | Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate. | | Descriptor: | (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, ... | | Authors: | Sauvage, E, Herman, R, Kerff, F, Charlier, P. | | Deposit date: | 2009-06-10 | | Release date: | 2009-12-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
|
|
6FXM
 | | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Mn2+ | | Descriptor: | 2-OXOGLUTARIC 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: | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | | Deposit date: | 2018-03-09 | | Release date: | 2018-08-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018
|
|
6G7I
 | | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | | Deposit date: | 2018-04-06 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
|
|
1DWW
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin | | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1999-12-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
|
|
6G94
 | |
2Z6K
 | | Crystal structure of full-length human RPA14/32 heterodimer | | Descriptor: | Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit | | Authors: | Deng, X, Habel, J.E, Kabaleeswaran, V, Borgstahl, G.E. | | Deposit date: | 2007-08-03 | | Release date: | 2007-12-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Full-length Human RPA14/32 Complex Gives Insights into the Mechanism of DNA Binding and Complex Formation
J.Mol.Biol., 374, 2007
|
|
3G46
 | | Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity | | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | | Deposit date: | 2009-02-03 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009
|
|
