6GAI
 
 | | BACTERIORHODOPSIN, 740 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
|
|
6FXD
 | | Crystal structure of MupZ from Pseudomonas fluorescens | | Descriptor: | MupZ | | Authors: | Wang, L, Parnell, A, Williams, C, Bakar, N.A, van der Kamp, M.W, Simpson, T.J, Race, P.R, Crump, M.P, Willis, C.L. | | Deposit date: | 2018-03-08 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Rieske oxygenase/epoxide hydrolase-catalysed reaction cascade creates oxygen heterocycles in mupirocin biosynthesis
Nat Catal, 2018
|
|
7LLK
 | |
2VEY
 | | CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN ISOTHIAZOLIDINONE-CONTAINING INHIBITOR | | Descriptor: | N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[4-(3-phenylpropyl)-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Douty, B, Wayland, B, Ala, P.J, Bower, M.J, Pruitt, J, Bostrom, L, Wei, M, Klabe, R, Gonneville, L, Wynn, R, Burn, T.C, Liu, P.C.C, Combs, A.P, Yue, E.W. | | Deposit date: | 2007-10-27 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isothiazolidinone Inhibitors of Ptp1B Containing Imidazoles and Imidazolines
Bioorg.Med.Chem.Lett., 18, 2008
|
|
2V8E
 | | Crystal structure of Human Complement Factor H, SCR domains 6-8 (H402 risk variant), in complex with ligand. | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CHLORIDE ION, COMPLEMENT FACTOR H, ... | | Authors: | Prosser, B.E, Johnson, S, Roversi, P, Herbert, A.P, Blaum, B.S, Tyrrell, J, Jowitt, T.A, Clark, S.J, Tarelli, E, Uhrin, D, Barlow, P.N, Sim, R.B, Day, A.J, Lea, S.M. | | Deposit date: | 2007-08-07 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis for Complement Factor H Linked Age-Related Macular Degeneration.
J.Exp.Med., 204, 2007
|
|
1Y2Z
 | |
8GJH
 | | Salmonella ArnA | | Descriptor: | Bifunctional polymyxin resistance protein ArnA, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | | Authors: | Sousa, M.C, Mitchell, M.E, Gatzeva-Topalova, P.Z. | | Deposit date: | 2023-03-15 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Targeting the Conformational Change in ArnA Dehydrogenase for Selective Inhibition of Polymyxin Resistance.
Biochemistry, 62, 2023
|
|
6TFJ
 | | Vip3Aa protoxin structure | | Descriptor: | Vegetative insecticidal protein | | Authors: | Nunez-Ramirez, R, Huesa, J, Bel, Y, Ferre, J, Casino, P, Arias-Palomo, E. | | Deposit date: | 2019-11-14 | | Release date: | 2020-08-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Molecular architecture and activation of the insecticidal protein Vip3Aa from Bacillus thuringiensis.
Nat Commun, 11, 2020
|
|
6JHT
 | | The cryo-EM structure of HAV bound to a neutralizing antibody-F9 | | Descriptor: | FAB Heavy Chain, FAB Light Chain, VP1, ... | | Authors: | Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X. | | Deposit date: | 2019-02-19 | | Release date: | 2020-03-18 | | Method: | ELECTRON MICROSCOPY (3.79 Å) | | Cite: | Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
|
|
2V22
 | | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE | | Authors: | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | | Deposit date: | 2007-05-31 | | Release date: | 2008-01-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
|
|
8UBR
 | | Complex of the phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with CFTRinh-172 and ATP/Mg | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Young, P.G, Fiedorczuk, K, Chen, J. | | Deposit date: | 2023-09-24 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for CFTR inhibition by CFTR inh -172.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
6JJ1
 | | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-tRNA hydrolase | | Authors: | Iqbal, N, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P. | | Deposit date: | 2019-02-24 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues
To Be Published
|
|
8FAZ
 | | Cryo-EM structure of the human BCDX2 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ... | | Authors: | Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K. | | Deposit date: | 2022-11-29 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023
|
|
5ESP
 | |
5NP4
 | |
8G0F
 | |
5TPY
 | | Crystal structure of an exonuclease resistant RNA from Zika virus | | Descriptor: | HEXANE-1,6-DIOL, MAGNESIUM ION, RNA (71-MER) | | Authors: | Akiyama, B.M, Laurence, H.M, Massey, A.R, Costantino, D.A, Xie, X, Yang, Y, Shi, P.-Y, Nix, J.C, Beckham, J.D, Kieft, J.S. | | Deposit date: | 2016-10-21 | | Release date: | 2016-12-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Zika virus produces noncoding RNAs using a multi-pseudoknot structure that confounds a cellular exonuclease.
Science, 354, 2016
|
|
8OVF
 | | Human Mitochondrial Lon Y186F Mutant ADP Bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | | Deposit date: | 2023-04-26 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.23 Å) | | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
|
|
1OHM
 | | Sakacin P variant that is structurally stabilized by an inserted C-terminal disulfide bridge. | | Descriptor: | BACTERIOCIN SAKACIN P | | Authors: | Uteng, M, Hauge, H.H, Markwick, P.R, Fimland, G, Mantzilas, D, Nissen-Meyer, J, Muhle-Goll, C. | | Deposit date: | 2003-05-28 | | Release date: | 2003-09-22 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Three-Dimensional Structure in Lipid Micelles of the Pediocin-Like Antimicrobial Peptide Sakacin P and a Sakacin P Variant that is Structurally Stabilized by an Inserted C-Terminal Disulfide Bridge
Biochemistry, 42, 2003
|
|
8VIB
 | |
8OTV
 | | Crystal structure of NUDT14 complexed with novel compound | | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-21 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
|
|
1Y0D
 | |
2WT1
 | | Galectin domain of porcine adenovirus type 4 NADC-1 isolate fibre complexed with lacto-N-neo-tetraose | | Descriptor: | NITRATE ION, PUTATIVE FIBER PROTEIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Guardado-Calvo, P, Munoz, E.M, Llamas-Saiz, A.L, Fox, G.C, Glasgow, J.N, van Raaij, M.J. | | Deposit date: | 2009-09-10 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic structure of porcine adenovirus type 4 fiber head and galectin domains.
J. Virol., 84, 2010
|
|
3UKE
 | | (S)-cMOE-BNA decamer structure | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(CSM)P*AP*CP*GP*C)-3') | | Authors: | Pallan, P.S, Egli, M. | | Deposit date: | 2011-11-09 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure and nuclease resistance of 2',4'-constrained 2'-O-methoxyethyl (cMOE) and 2'-O-ethyl (cEt) modified DNAs.
Chem.Commun.(Camb.), 48, 2012
|
|
6GA6
 | | Bacteriorhodopsin, 10 ps state, real-space refined against 10% extrapolated map | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
|
|
