7TVS
 
 | | The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide | | Authors: | Tan, K, Maltseva, N.I, Endres, M.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-02-05 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88612878 Å) | | Cite: | The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib
To Be Published
|
|
7TVX
 | |
4OMX
 | | Crystal structure of goat beta-lactoglobulin (trigonal form) | | Descriptor: | FORMAMIDE, SULFATE ION, UREA, ... | | Authors: | Loch, J.I, Swiatek, S, Czub, M, Ludwikowska, M, Lewinski, K. | | Deposit date: | 2014-01-27 | | Release date: | 2014-11-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational variability of goat beta-lactoglobulin: Crystallographic and thermodynamic studies.
Int.J.Biol.Macromol., 72C, 2014
|
|
4B3R
 | | Crystal structure of the 30S ribosome in complex with compound 30 | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | | Deposit date: | 2012-07-26 | | Release date: | 2013-08-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
|
|
1IMR
 | | MOLECULAR STRUCTURE OF THE HALOGENATED ANTI-CANCER DRUG IODODOXORUBICIN COMPLEXED WITH D(TGTACA) AND D(CGATCG) | | Descriptor: | 4'-DEOXY-4'-IODODOXORUBICIN, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3') | | Authors: | Berger, I, Su, L, Spitzner, J.R, Kang, C, Burke, T.G, Rich, A. | | Deposit date: | 1995-10-23 | | Release date: | 1996-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular structure of the halogenated anti-cancer drug iododoxorubicin complexed with d(TGTACA) and d(CGATCG).
Nucleic Acids Res., 23, 1995
|
|
7TP4
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ... | | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2022-01-24 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
|
|
2CBJ
 | | Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc | | Descriptor: | CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | | Authors: | Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F. | | Deposit date: | 2006-01-05 | | Release date: | 2006-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
|
|
2FPD
 | |
7THX
 | | Cryo-EM structure of W6 possum enterovirus | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Wang, I, Jayawardena, N, Strauss, M, Bostina, M. | | Deposit date: | 2022-01-12 | | Release date: | 2022-03-09 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Cryo-EM Structure of a Possum Enterovirus.
Viruses, 14, 2022
|
|
7U1H
 | |
7U1I
 | |
8PNX
 | | Crystal structure of D-amino acid aminotransferase from Blastococcus saxobsidens in PMP form | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain amino acid aminotransferase/4-amino-4-deoxychorismate lyase, ... | | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O. | | Deposit date: | 2023-07-03 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines
To Be Published
|
|
1IFC
 | |
1IGF
 | |
7TNJ
 | |
2C4X
 | | Structural basis for the promiscuous specificity of the carbohydrate- binding modules from the beta-sandwich super family | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDOGLUCANASE | | Authors: | Najmudin, S, Guerreiro, C.I.P.D, Carvalho, A.L, Bolam, D.N, Prates, J.A.M, Correia, M.A.S, Alves, V.D, Ferreira, L.M.A, Romao, M.J, Gilbert, H.J, Fontes, C.M.G.A. | | Deposit date: | 2005-10-25 | | Release date: | 2005-10-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Xyloglucan is Recognized by Carbohydrate-Binding Modules that Interact with Beta-Glucan Chains.
J.Biol.Chem., 281, 2006
|
|
8QLQ
 | | Human MST3 (STK24) kinase in complex with macrocyclic inhibitor JA310 | | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 24, macrocyclic inhibitor | | Authors: | Balourdas, D.I, Amrhein, J.A, Hanke, T, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-20 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.
J.Med.Chem., 67, 2024
|
|
4P78
 | | HicA3 and HicB3 toxin-antitoxin complex | | Descriptor: | GLYCEROL, HicA3 Toxin, HicB3 antitoxin | | Authors: | Li de la Sierra-Gallay, I, Bibi-Triki, S, van Tilbeurgh, H, Lazar, N, Pradel, E. | | Deposit date: | 2014-03-26 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Functional and Structural Analysis of HicA3-HicB3, a Novel Toxin-Antitoxin System of Yersinia pestis.
J.Bacteriol., 196, 2014
|
|
7U0C
 | | Crystal structure of broadly neutralizing antibody HEPC3.4 | | Descriptor: | HEPC3.4 Fab Heavy Chain, HEPC3.4 Fab Light Chain | | Authors: | Flyak, A.I, Bjorkman, P.J. | | Deposit date: | 2022-02-17 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals.
Nat Commun, 13, 2022
|
|
1L7N
 | | TRANSITION STATE ANALOGUE OF PHOSPHOSERINE PHOSPHATASE (ALUMINUM FLUORIDE COMPLEX) | | Descriptor: | ALUMINUM FLUORIDE, MAGNESIUM ION, PHOSPHOSERINE PHOSPHATASE, ... | | Authors: | Wang, W, Cho, H.S, Kim, R, Jancarik, J, Yokota, H, Nguyen, H.H, Grigoriev, I.V, Wemmer, D.E, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2002-03-16 | | Release date: | 2002-06-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural characterization of the reaction pathway in phosphoserine phosphatase: crystallographic "snapshots" of intermediate states.
J.Mol.Biol., 319, 2002
|
|
7U8L
 | |
1IKL
 | |
6DPZ
 | | X-ray crystal structure of AmpC beta-lactamase with inhibitor | | Descriptor: | (1R,2S)-2-{[(pyrrolidin-1-yl)sulfonyl]amino}cyclooctane-1-carboxylic acid, Beta-lactamase | | Authors: | Singh, I. | | Deposit date: | 2018-06-09 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
|
|
4PLH
 | | Crystal structure of ancestral apicomplexan malate dehydrogenase with oxamate. | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, OXAMIC ACID, SODIUM ION, ... | | Authors: | Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L. | | Deposit date: | 2014-05-16 | | Release date: | 2014-07-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
|
|
7U8J
 | |
