8X22
 
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | | Deposit date: | 2023-11-09 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations.
Sci Rep, 14, 2024
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8X21
 | | HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:ETV-TP ternary complex | | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | | Deposit date: | 2023-11-09 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations.
Sci Rep, 14, 2024
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6V1P
 | | Structure of VIM-2 bound to QPX7728 at 1.20 A | | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ... | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
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6IYW
 | | Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with Imipenem adduct | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, GLYCEROL, L,D-transpeptidase 2 | | Authors: | Li, D.F, Zhao, F, Wang, D.C. | | Deposit date: | 2018-12-17 | | Release date: | 2019-02-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The 1-beta-methyl group confers a lower affinity of l,d-transpeptidase LdtMt2 for ertapenem than for imipenem.
Biochem. Biophys. Res. Commun., 510, 2019
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5ZIG
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5ID2
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8X3U
 | | tll1591 with alpha_glucan 3sugar | | Descriptor: | Glycosyl transferase, URIDINE-5'-DIPHOSPHATE, alpha-D-glucopyranose-(1-2)-alpha-D-glucopyranose-(1-2)-beta-D-fructofuranose | | Authors: | Su, J.Y. | | Deposit date: | 2023-11-14 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Glucosyltransferase TeGSS from Thermosynechococcus elongatus produces an alpha-1,2-glucan.
Int.J.Biol.Macromol., 280, 2024
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6TRA
 | | Cryo- EM structure of the Thermosynechococcus elongatus photosystem I in the presence of cytochrome c6 | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Koelsch, A, Radon, C, Baumert, A, Buerger, J, Miehlke, T, Lisdat, F, Zouni, A, Wendler, P. | | Deposit date: | 2019-12-18 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Current limits of structural biology: The transient interaction between cytochrome c6 and photosystem I
Curr.Opin.Struct.Biol., 2, 2020
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8RZI
 | | ZgGH129 from Zobellia galactanivorans soaked with 1,2-diF-ADG (3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride) resulting in a trapped glycosyl-enzyme intermediate. | | Descriptor: | (1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Roret, T, Czjzek, M, Ficko-Blean, E. | | Deposit date: | 2024-02-12 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 63, 2024
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5N9K
 | | Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF107 (5) | | Descriptor: | 1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J. | | Deposit date: | 2017-02-25 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.643 Å) | | Cite: | A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors.
Pharmaceuticals, 11, 2018
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5OGS
 | | Crystal structure of human AND-1 SepB domain | | Descriptor: | MALONATE ION, WD repeat and HMG-box DNA-binding protein 1 | | Authors: | Pellegrini, L, Simon, A.C. | | Deposit date: | 2017-07-13 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | The human CTF4-orthologue AND-1 interacts with DNA polymerase alpha /primase via its unique C-terminal HMG box.
Open Biol, 7, 2017
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9C0X
 | | Crystal structure of chimeric hemagglutinin cH11/1 in complex with broad protective antibody 31.b.09 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 31.b.09 Fab heavy chain, ... | | Authors: | Nguyen, T.K.Y, Zhu, X, Wilson, I.A. | | Deposit date: | 2024-05-28 | | Release date: | 2025-05-07 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (4.35 Å) | | Cite: | Structural characterization of influenza group 1 chimeric hemagglutinins as broad vaccine immunogens.
Proc.Natl.Acad.Sci.USA, 122, 2025
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6MW5
 | | UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase with bound UDP and Platinum | | Descriptor: | 1,2-ETHANEDIOL, PLATINUM (II) ION, UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase, ... | | Authors: | Kim, H.W, Wood, Z.A, West, C.M. | | Deposit date: | 2018-10-29 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii .
J.Biol.Chem., 295, 2020
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7COO
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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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5LIV
 | | Crystal structure of myxobacterial CYP260A1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ... | | Authors: | Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | | Deposit date: | 2016-07-15 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid.
FEBS Lett., 590, 2016
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9IUD
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8Q0F
 | | Inward-facing, open2 proteoliposome complex I at 3.1 A. Initially purified in DDM. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Grba, D.N, Hirst, J. | | Deposit date: | 2023-07-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I.
Science, 384, 2024
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5K1R
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5IJJ
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3KPW
 | | Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline | | Descriptor: | ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2009-11-17 | | Release date: | 2010-09-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
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4KI3
 | | 1.70 Angstrom resolution crystal structure of outer-membrane lipoprotein carrier protein (lolA) from Yersinia pestis CO92 | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Halavaty, A.S, Wawrzak, Z, Kudritska, M, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-05-01 | | Release date: | 2013-05-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.70 Angstrom resolution crystal structure of outer-membrane lipoprotein carrier protein (lolA) from Yersinia pestis CO92
To be Published
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6IYV
 | | Crystal sturucture of L,D-transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ertapenem adduct | | Descriptor: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhao, F, Li, D.F, Wang, D.C. | | Deposit date: | 2018-12-17 | | Release date: | 2019-02-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 1-beta-methyl group confers a lower affinity of l,d-transpeptidase LdtMt2for ertapenem than for imipenem.
Biochem. Biophys. Res. Commun., 510, 2019
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8W30
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6TM3
 | | Structure of methylene-tetrahydromethanopterin dehydrogenase from Methylorubrum extorquens AM1 in a close conformation containing NADP+ and methylene-H4MPT | | Descriptor: | 1,2-ETHANEDIOL, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Bifunctional protein MdtA, ... | | Authors: | Wagner, T, Huang, G, Demmer, U, Warkentin, E, Ermler, U, Shima, S. | | Deposit date: | 2019-12-03 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | The Hydride Transfer Process in NADP-dependent Methylene-tetrahydromethanopterin Dehydrogenase.
J.Mol.Biol., 432, 2020
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