6DGB
 
 | | Crystal structure of the C-terminal catalytic domain of IS1535 TnpA, an IS607-like serine recombinase | | Descriptor: | IS607 family transposase IS1535 | | Authors: | Chen, W.Y, Hancock, S.P, Cascio, D, Johnson, R.C. | | Deposit date: | 2018-05-17 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Multiple serine transposase dimers assemble the transposon-end synaptic complex during IS607-family transposition.
Elife, 7, 2018
|
|
6DBA
 | | Crystal Structure of VHH R303 | | Descriptor: | nanobody VHH R303 | | Authors: | Brooks, C.L, Toride King, M, Huh, I. | | Deposit date: | 2018-05-02 | | Release date: | 2018-07-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
|
|
6DBM
 | | Tyk2 with compound 23 | | Descriptor: | Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | | Authors: | Vajdos, F.F. | | Deposit date: | 2018-05-03 | | Release date: | 2018-08-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.368 Å) | | Cite: | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
|
|
6DGU
 | | PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution | | Descriptor: | Beta-lactamase | | Authors: | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | | Deposit date: | 2018-05-18 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.691 Å) | | Cite: | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.
Antimicrob.Agents Chemother., 63, 2019
|
|
8I9C
 | | S-ECD (Omicron BF.7) in complex with PD of ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2024-02-07 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Cryo-EM structures of SARS-CoV-2 BA.2-derived subvariants spike in complex with ACE2 receptor.
Cell Discov, 9, 2023
|
|
8I9D
 | | S-ECD (Omicron XBB.1) in complex with PD of ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2024-02-07 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Cryo-EM structures of SARS-CoV-2 BA.2-derived subvariants spike in complex with ACE2 receptor.
Cell Discov, 9, 2023
|
|
8I9E
 | | S-RBD(Omicron BA.3) in complex with PD of ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | | Deposit date: | 2023-02-06 | | Release date: | 2024-02-07 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants.
Viruses, 15, 2023
|
|
8IKW
 | | A complex structure of PGIP-PG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-polygalacturonase, ... | | Authors: | Xiao, Y, Chai, J. | | Deposit date: | 2023-03-01 | | Release date: | 2024-02-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity.
Science, 383, 2024
|
|
6DJK
 | |
6DCS
 | | Stage III sporulation protein AF (SpoIIIAF) | | Descriptor: | SULFATE ION, Stage III sporulation protein AF | | Authors: | Strynadka, N.C.J, Zeytuni, N, Camp, A.H, Flanagan, K.A. | | Deposit date: | 2018-05-08 | | Release date: | 2018-07-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and biochemical characterization of SpoIIIAF, a component of a sporulation-essential channel in Bacillus subtilis.
J. Struct. Biol., 204, 2018
|
|
6DD1
 | |
2OYU
 | | Indomethacin-(S)-alpha-ethyl-ethanolamide bound to Cyclooxygenase-1 | | Descriptor: | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1S)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Harman, C.A, Garavito, R.M. | | Deposit date: | 2007-02-23 | | Release date: | 2007-07-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.
J.Biol.Chem., 282, 2007
|
|
6DOD
 | |
6DP3
 | |
7RDG
 | |
6D9I
 | |
9GOH
 | | Crystal structure of DPP4 in complex with sulphostin. | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form, ... | | Authors: | Sewald, L, Tabak, W.W.A, Fehr, L, Zolg, S, Najdzion, M, Verhoef, C.J.A, Podlesainski, D, Geiss-Friedlander, R, Lammens, A, Kaschani, F, Hellerschmied, D, Huber, R, Kaiser, M. | | Deposit date: | 2024-09-05 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Sulphostin-inspired N-phosphonopiperidones as selective covalent DPP8 and DPP9 inhibitors.
Nat Commun, 16, 2025
|
|
7RD2
 | | Co-crystal structure of Chaetomium glucosidase with compound 2 | | Descriptor: | (2R,3R,4R,5S)-1-{[4-({4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-nitroanilino}methyl)phenyl]methyl}-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chaetomium alpha glucosidase, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2021-07-09 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
|
|
6DHP
 | | RT XFEL structure of the three-flash state of Photosystem II (3F, S0-rich) at 2.04 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
|
|
8IFN
 | | MERS-CoV spike trimer in complex with nanobody VHH-T148 | | Descriptor: | Spike glycoprotein, VHH-T148, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Wang, X, Tian, L. | | Deposit date: | 2023-02-19 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
To Be Published
|
|
9G2D
 | |
9G2E
 | |
6DFU
 | | Tryptophan--tRNA ligase from Haemophilus influenzae. | | Descriptor: | TRYPTOPHAN, Tryptophan--tRNA ligase | | Authors: | Osipiuk, J, Maltseva, N, Mulligan, R, Grimshaw, S, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-05-15 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Tryptophan--tRNA ligase from Haemophilus influenzae.
to be published
|
|
6DG3
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with caesium | | Descriptor: | CESIUM ION, PHOSPHATE ION, Pyridinium-3,5-biscarboxylic acid mononucleotide sulfurtransferase | | Authors: | Fellner, M, Hausinger, R.P, Hu, J. | | Deposit date: | 2018-05-16 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.944 Å) | | Cite: | Unique cesium-binding sites in proteins, a case study with the sacrificial sulfur transferase LarE
J Life Sci, 2021
|
|
6DI3
 | | CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND | | Descriptor: | 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide, Tyrosine-protein kinase BTK | | Authors: | GARDBERG, A. | | Deposit date: | 2018-05-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28, 2018
|
|
