6RTN
 
 | | Crystal structure of OXA-10 with VNRX-5133 | | Descriptor: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION | | Authors: | Brem, J, Schofield, C. | | Deposit date: | 2019-05-24 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
|
|
6RZQ
 | |
3B6O
 | | Structure of TREX1 in complex with a nucleotide and an inhibitor ion (lithium) | | Descriptor: | LITHIUM ION, THYMIDINE-5'-PHOSPHATE, Three prime repair exonuclease 1 | | Authors: | Brucet, M, Querol-Audi, J, Fita, I, Celada, A. | | Deposit date: | 2007-10-29 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical studies of TREX1 inhibition by metals. Identification of a new active histidine conserved in DEDDh exonucleases.
Protein Sci., 17, 2008
|
|
2B6H
 | | Structure of human ADP-ribosylation factor 5 | | Descriptor: | ADP-ribosylation factor 5, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tempel, W, Atanassova, A, Sundarajan, E, Dimov, S, Shehab, I, Lew, J, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-10-01 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.764 Å) | | Cite: | Structure of human ADP-ribosylation factor 5
To be Published
|
|
5C3Y
 | | Structure of human ribokinase crystallized with AMPPNP | | Descriptor: | AMP PHOSPHORAMIDATE, Ribokinase, SODIUM ION | | Authors: | Park, J, Chakrabarti, J, Singh, B, Gupta, R.S, Junop, M.S. | | Deposit date: | 2015-06-17 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human ribokinase crystallized with AMPPNP
To Be Published
|
|
8BVD
 | | FimH lectin domain in complex with mannose C-linked to quinoline | | Descriptor: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol, Type 1 fimbrin D-mannose specific adhesin | | Authors: | Bouckaert, J, Bridot, C. | | Deposit date: | 2022-12-03 | | Release date: | 2023-02-15 | | Last modified: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (2.995 Å) | | Cite: | Insightful Improvement in the Design of Potent Uropathogenic E. coli FimH Antagonists.
Pharmaceutics, 15, 2023
|
|
6E5V
 | | human mGlu8 receptor amino terminal domain in complex with (S)-3,4-Dicarboxyphenylglycine (DCPG) | | Descriptor: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 8 | | Authors: | Chen, Q, Ho, J.D, Ashok, S, Vargas, M.C, Wang, J, Atwell, S, Bures, M, Schkeryantz, J.M, Monn, J.A, Hao, J. | | Deposit date: | 2018-07-23 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Basis for ( S)-3,4-Dicarboxyphenylglycine (DCPG) As a Potent and Subtype Selective Agonist of the mGlu8Receptor.
J. Med. Chem., 61, 2018
|
|
7QNK
 | | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution | | Descriptor: | ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE | | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | | Deposit date: | 2021-12-21 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
6N8T
 | | Hsp104DWB closed conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104 | | Authors: | Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F. | | Deposit date: | 2018-11-30 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation.
Cell Rep, 26, 2019
|
|
7QOR
 | | Structure of beta-lactamase TEM-171 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. | | Deposit date: | 2021-12-28 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
8IS3
 | | Structural model for the micelle-bound indolicidin-like peptide in solution | | Descriptor: | Indolicidin-like antimicrobial peptide | | Authors: | Kim, B, Ko, Y.H, Kim, J, Lee, J, Nam, C.H, Kim, J.H. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural model for the micelle-bound indolicidin-like peptide in solution
To Be Published
|
|
5AC9
 | | Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design | | Descriptor: | VP1, VP2, VP3, ... | | Authors: | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | | Deposit date: | 2015-08-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
|
|
4ETC
 | | Lysozyme, room temperature, 24 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
|
|
5AJC
 | | X-ray structure of RSL lectin in complex with sialyl lewis X tetrasaccharide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, PUTATIVE FUCOSE-BINDING LECTIN PROTEIN, ... | | Authors: | Topin, J, Arnaud, J, Varrot, A, Imberty, A. | | Deposit date: | 2015-02-20 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Hidden Conformation of Lewis X, a Human Histo-Blood Group Antigen, is a Determinant for Recognition by Pathogen Lectins
Acs Chem.Biol., 11, 2016
|
|
6RIQ
 | | MinCD filament from Pseudomonas aeruginosa | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MinC, ... | | Authors: | Szewczak-Harris, A, Wagstaff, J, Lowe, J. | | Deposit date: | 2019-04-24 | | Release date: | 2019-06-19 | | Last modified: | 2019-08-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of the MinCD copolymeric filament from Pseudomonas aeruginosa at 3.1 angstrom resolution.
Febs Lett., 593, 2019
|
|
6G9B
 | | Crystal structure of Ebolavirus glycoprotein in complex with imipramine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, ... | | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | | Deposit date: | 2018-04-10 | | Release date: | 2018-05-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
|
|
3BHX
 | |
8I3V
 | | Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant escitalopram in an inward-open state at resolution of 2.85 angstrom. | | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, CHLORIDE ION, Sodium-dependent noradrenaline transporter | | Authors: | Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C. | | Deposit date: | 2023-01-18 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
|
|
5ABJ
 | | Structure of Coxsackievirus A16 in complex with GPP3 | | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | | Authors: | De Colibus, L, Wang, X, Tijsma, A, Neyts, J, Spyrou, J.A.B, Ren, J, Grimes, J.M, Puerstinger, G, Leyssen, P, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2015-08-06 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure Elucidation of Coxsackievirus A16 in Complex with Gpp3 Informs a Systematic Review of Highly Potent Capsid Binders to Enteroviruses.
Plos Pathog., 11, 2015
|
|
5AAL
 | | Complex of the FimH lectin with a C-linked para-biphenyl ethylene alpha-D-mannoside in soaked trigonal crystals at 2.45 A resolution | | Descriptor: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol, FIMH, NICKEL (II) ION, ... | | Authors: | De Ruyck, J, Bouckaert, J. | | Deposit date: | 2015-07-27 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structures of C-Mannosylated Anti-Adhesives Bound to the Type 1 Fimbrial Fimh Adhesin
Iucrj, 3, 2016
|
|
3K94
 | | Crystal Structure of Thiamin pyrophosphokinase from Geobacillus thermodenitrificans, Northeast Structural Genomics Consortium Target GtR2 | | Descriptor: | Thiamin pyrophosphokinase | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Janjua, J, Xiao, R, Patel, D.J, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-09 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Northeast Structural Genomics Consortium Target GtR2
To be Published
|
|
3KAP
 | | Flavodoxin from Desulfovibrio desulfuricans ATCC 27774 (oxidized form) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | | Authors: | Romero, A, Caldeira, J, LeGall, J, Moura, I, Moura, J.J.G, Romao, M.J. | | Deposit date: | 2009-10-19 | | Release date: | 2009-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of flavodoxin from Desulfovibrio desulfuricans ATCC 27774 in two oxidation states.
Eur.J.Biochem., 239, 1996
|
|
5A77
 | | Crystal structure of the homing endonuclease I-CvuI in complex with I- CreI target (C1221) in the presence of 2 mM Mg revealing DNA cleaved | | Descriptor: | 10MER DNA, 5'-D(*GP*AP*CP*GP*TP*TP*TP*TP* GP*AP*DGP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3', 14MER DNA, ... | | Authors: | Molina, R, Redondo, P, LopezMendez, B, Villate, M, Merino, N, Blanco, F.J, Valton, J, Grizot, S, Duchateau, P, Prieto, J, Montoya, G. | | Deposit date: | 2015-07-03 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Homing Endonuclease I-Cvui Provides a New Template for Genome Modification
J.Biol.Chem., 290, 2015
|
|
3J1Z
 | | Inward-Facing Conformation of the Zinc Transporter YiiP revealed by Cryo-electron Microscopy | | Descriptor: | Cation efflux family protein | | Authors: | Coudray, N, Valvo, S, Hu, M, Lasala, R, Kim, C, Vink, M, Zhou, M, Provasi, D, Filizola, M, Tao, J, Fang, J, Penczek, P.A, Ubarretxena-Belandia, I, Stokes, D.L, Transcontinental EM Initiative for Membrane Protein Structure (TEMIMPS) | | Deposit date: | 2012-07-24 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (13 Å) | | Cite: | Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
5AJB
 | | X-ray structure of the RSL lectin in complex with Lewis X tetrasaccahride | | Descriptor: | LECTIN, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Topin, J, Arnaud, J, Varrot, A, Imberty, A. | | Deposit date: | 2015-02-20 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Hidden Conformation of Lewis X, a Human Histo-Blood Group Antigen, is a Determinant for Recognition by Pathogen Lectins
Acs Chem.Biol., 11, 2016
|
|
