5K1R
 
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9FZ6
 | | A 2.58A crystal structure of S. aureus DNA gyrase and DNA with metals identified through anomalous scattering | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3'), DNA (5'-D(*AP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | Authors: | Morgan, H, Duman, R, Bax, B.D, Warren, A.J. | | Deposit date: | 2024-07-04 | | Release date: | 2024-10-23 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | How Do Gepotidacin and Zoliflodacin Stabilize DNA Cleavage Complexes with Bacterial Type IIA Topoisomerases? 1. Experimental Definition of Metal Binding Sites.
Int J Mol Sci, 25, 2024
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7BDM
 | | The adduct of NAMI-A with Hen Egg White Lysozyme at 98 hours. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | | Deposit date: | 2020-12-22 | | Release date: | 2021-07-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
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7BD0
 | | The adduct of NAMI-A with Hen Egg White Lysozyme at 26 hours. | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ... | | Authors: | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-07-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
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6JAY
 | | Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with a dipyrido-pyrimidine derivative | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-[(furan-2-yl)methyl]-5-oxo-3-({[(2S)-oxolan-2-yl]methyl}carbamoyl)-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-1-ium, Group II chitinase | | Authors: | Chen, W, Zhou, Y, Yang, Q. | | Deposit date: | 2019-01-25 | | Release date: | 2019-05-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Structural dissection reveals a general mechanistic principle for group II chitinase (ChtII) inhibition.
J.Biol.Chem., 294, 2019
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6U4W
 | | 1.4 A structure of a pathogenic human Syt 1 C2B (D366E) | | Descriptor: | SULFATE ION, Synaptotagmin-1 | | Authors: | Dominguez, M.J, Bradberry, M.M, Chapman, E.R, Sutton, R.B. | | Deposit date: | 2019-08-26 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis for Synaptotagmin-1-Associated Neurodevelopmental Disorder.
Neuron, 107, 2020
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5I0Q
 | | Structure of human C4b-binding protein alpha chain CCP domains 1 and 2 in complex with the hypervariable region of mutant group A Streptococcus M2 (K65A, N66A) protein | | Descriptor: | C4b-binding protein alpha chain, M protein, serotype 2.1 | | Authors: | Buffalo, C.Z, Bahn-Suh, A.J, Ghosh, P. | | Deposit date: | 2016-02-04 | | Release date: | 2016-07-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.293 Å) | | Cite: | Conserved patterns hidden within group A Streptococcus M protein hypervariability recognize human C4b-binding protein.
Nat Microbiol, 1, 2016
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4GUC
 | | 1.4 Angstrom resolution crystal structure of uncharacterized protein BA_2500 from Bacillus anthracis str. Ames | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Protein BA_2500, ... | | Authors: | Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-08-29 | | Release date: | 2012-10-10 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 1.4 Angstrom resolution crystal structure of uncharacterized protein BA_2500 from Bacillus anthracis str. Ames
To be Published
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5C98
 | | 1.45A resolution structure of SRPN18 from Anopheles gambiae | | Descriptor: | AGAP007691-PB | | Authors: | Lovell, S, Battaile, K.P, Gulley, M, Zhang, X, Meekins, D.A, Gao, F.P, Michel, K. | | Deposit date: | 2015-06-26 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 1.45 angstrom resolution structure of SRPN18 from the malaria vector Anopheles gambiae.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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6CHU
 | | CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETATE | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Citrate lyase subunit beta-like protein, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C. | | Deposit date: | 2018-02-23 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6GKK
 | | Translation initiation factor 4E in complex with beta-phosphorothioate trinucleotide mRNA 5' cap diastereomer 1 (m7GppSpApG D1) | | Descriptor: | Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate | | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | | Deposit date: | 2018-05-21 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.858 Å) | | Cite: | Translation initiation factor 4E in complex with beta-phosphorothioate trinucleotide mRNA 5' cap diastereomer 1 (m7GppSpApG D1)
To Be Published
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6KVK
 | | Crystal structure of UDP-Sm-SrUGT76G1 | | Descriptor: | Steviolmonoside, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | | Authors: | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | | Deposit date: | 2019-09-04 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
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9HD8
 | | SARS-CoV-2 Main Protease in complex with with (1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide | | Descriptor: | (1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide, 3C-like proteinase nsp5, SODIUM ION | | Authors: | Hanoulle, X, Charton, J, Deprez, B. | | Deposit date: | 2024-11-12 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.696 Å) | | Cite: | SARS-CoV-2 Main Protease in complex with with (1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide
To Be Published
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6AA4
 | | Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9) | | Descriptor: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ... | | Authors: | Yokoyama, T, Kitakami, R, Mizuguchi, M. | | Deposit date: | 2018-07-17 | | Release date: | 2019-03-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
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9HBQ
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9HDN
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6P94
 | | Human APE1 C65A AP-endonuclease product complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Whitaker, A.W, Stark, W.J, Freudenthal, B.D. | | Deposit date: | 2019-06-09 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Functions of the major abasic endonuclease (APE1) in cell viability and genotoxin resistance.
Mutagenesis, 35, 2020
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1EMD
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7VC7
 | | The structure of beta-xylosidase from Phanerochaete chrysosporium(PcBxl3) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kojima, K, Sunagawa, N, Igarashi, K. | | Deposit date: | 2021-09-01 | | Release date: | 2022-02-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Comparison of glycoside hydrolase family 3 beta-xylosidases from basidiomycetes and ascomycetes reveals evolutionarily distinct xylan degradation systems.
J.Biol.Chem., 298, 2022
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5X9D
 | | Crystal structure of homoserine dehydrogenase in complex with L-cysteine and NAD | | Descriptor: | (2R)-3-[[(4S)-3-aminocarbonyl-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4H-pyridin-4-yl]sulfanyl]-2-azanyl-propanoic acid, Homoserine dehydrogenase, L(+)-TARTARIC ACID | | Authors: | Goto, M, Ogata, K, Kaneko, R, Yoshimune, K. | | Deposit date: | 2017-03-06 | | Release date: | 2018-05-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of homoserine dehydrogenase by formation of a cysteine-NAD covalent complex
Sci Rep, 8, 2018
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9DTV
 | | Structure of D141A mutant of M.tuberculosis MenD (SEPHCHC Synthase) | | Descriptor: | 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | | Authors: | Johnston, J.M, Ho, N.A.T, Given, F.M, Allison, T.M, Bulloch, E.M.M, Jiao, W. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Apparent Reversal of Allosteric Response in Mycobacterium tuberculosis MenD Reveals Links to Half-of-Sites Reactivity.
Chembiochem, 26, 2025
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9DQI
 | | D306N Mutant of M.tuberculosis MenD (SEPHCHC Synthase) | | Descriptor: | 1,2-ETHANEDIOL, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | | Authors: | Johnston, J.M, Ho, N.A.T, Given, F.M, Bulloch, E.M.M, Allison, T.M, Jiao, W. | | Deposit date: | 2024-09-24 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Apparent Reversal of Allosteric Response in Mycobacterium tuberculosis MenD Reveals Links to Half-of-Sites Reactivity.
Chembiochem, 26, 2025
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5T7G
 | | Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PT9) of HIV gp120 MN Isolate (IGPGRAFYT) | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Jiang, J, Natarajan, K, Margulies, D. | | Deposit date: | 2016-09-04 | | Release date: | 2017-10-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
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5M60
 | | Chaetomium thermophilum beta-1-3-glucanase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase, SODIUM ION, ... | | Authors: | Papageorgiou, A.C, Chen, J, Li, D. | | Deposit date: | 2016-10-23 | | Release date: | 2017-05-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure and biological implications of a glycoside hydrolase family 55 beta-1,3-glucanase from Chaetomium thermophilum.
Biochim. Biophys. Acta, 1865, 2017
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7M76
 | | Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | | Deposit date: | 2021-03-26 | | Release date: | 2021-11-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I.
Sci Rep, 11, 2021
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