7L0N
 
 | | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D. | | Deposit date: | 2020-12-11 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
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3USI
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4A3U
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4RT2
 | | Ternary complex crystal structure of DNA polymerase Beta with (alpha,beta)-CH2-(beta,gamma)-NH-dTTP | | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Wilson, S.H. | | Deposit date: | 2014-11-12 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP.
Org.Lett., 17, 2015
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4RZM
 | | Crystal structure of the Lsd19-lasalocid A complex | | Descriptor: | CHLORIDE ION, Epoxide hydrolase LasB, FORMIC ACID, ... | | Authors: | Mathews, I.I, Hotta, K, Chen, X, Kim, C.-Y. | | Deposit date: | 2014-12-22 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Epoxide hydrolase-lasalocid a structure provides mechanistic insight into polyether natural product biosynthesis.
J.Am.Chem.Soc., 137, 2015
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7LQY
 | | Structure of squirrel TRPV1 in apo state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol, CHLORIDE ION, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2021-02-15 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Extracellular cap domain is an essential component of the TRPV1 gating mechanism.
Nat Commun, 12, 2021
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7LGT
 | | HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83 | | Descriptor: | BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ... | | Authors: | Gras, S, Szeto, C, Chatzileontiadou, D.S.M. | | Deposit date: | 2021-01-21 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
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7LQZ
 | | Structure of squirrel TRPV1 in complex with RTX | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Osm-9-like TRP channel 1, SODIUM ION, ... | | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | | Deposit date: | 2021-02-15 | | Release date: | 2021-04-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Extracellular cap domain is an essential component of the TRPV1 gating mechanism.
Nat Commun, 12, 2021
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5TYE
 | | DNA Polymerase Mu Product Complex, 10 mM Mg2+ (60 min) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2016-11-19 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
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5U1Z
 | | X-ray structure of the WlarG aminotransferase, apo form, from Campylobacter jejune | | Descriptor: | CHLORIDE ION, Putative aminotransferase, SODIUM ION | | Authors: | Holden, H.M, Thoden, J.B, Dow, G.T, Gilbert, M. | | Deposit date: | 2016-11-29 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
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5U9J
 | | Crystal structure of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) complexed with geranyl geranyl pyrophoshate | | Descriptor: | Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1), GERAN-8-YL GERAN, ISOPROPYL ALCOHOL, ... | | Authors: | Yadav, R.P, Gakhar, L, Liping, Y, Artemyev, N.O. | | Deposit date: | 2016-12-16 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UC6
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5UD2
 | | Class II fructose-1,6-bisphosphate aldolase H180Q variant of Helicobacter pylori with DHAP | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ... | | Authors: | Jacques, B, Sygusch, J. | | Deposit date: | 2016-12-23 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.775 Å) | | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
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5UCZ
 | | Class II fructose-1,6-bisphosphate aldolase E149A variant of Helicobacter pylori with DHAP | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ... | | Authors: | Jacques, B, Sygusch, J. | | Deposit date: | 2016-12-23 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
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5U20
 | | X-ray structure of the WlaRG aminotransferase from Campylobacter jejuni, internal PLP-aldimine | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative aminotransferase, ... | | Authors: | Thoden, J.B, Holden, H.M, Dow, G.T, Gilbert, M. | | Deposit date: | 2016-11-29 | | Release date: | 2017-01-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
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5U2R
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4S2L
 | | Crystal Structure of OXA-163 beta-lactamase | | Descriptor: | Beta-lactamase, SODIUM ION | | Authors: | Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B. | | Deposit date: | 2015-01-21 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
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4ADB
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5UL5
 | | Crystal structure of RPE65 in complex with MB-004 and palmitate | | Descriptor: | (1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FE (II) ION, ... | | Authors: | Kiser, P.D, Palczewski, K. | | Deposit date: | 2017-01-24 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
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5UJ6
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5ULN
 | | Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography | | Descriptor: | 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F. | | Deposit date: | 2017-01-25 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017
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7LP9
 | | Cryo-EM structure of full-length TRPV1 at 4 degrees Celsius | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ... | | Authors: | Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y. | | Deposit date: | 2021-02-11 | | Release date: | 2021-07-28 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
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4PRI
 | | Crystal structure of TK3 TCR-HLA-B*35:08-HPVG complex | | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, Epstein-Barr nuclear antigen 1, ... | | Authors: | Yu Chih, L, Rossjohn, J, Gras, S. | | Deposit date: | 2014-03-05 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism.
J.Biol.Chem., 289, 2014
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5ULP
 | | Structure of the NS5 methyltransferase from Zika bound to MS2042 | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | | Authors: | Jain, R, Aggarwal, A.K. | | Deposit date: | 2017-01-25 | | Release date: | 2017-05-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of a S-adenosylmethionine analog that intrudes the RNA-cap binding site of Zika methyltransferase.
Sci Rep, 7, 2017
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5UPZ
 | | HIV-1 wild Type protease with GRL-0518A , an isophthalamide-derived P2-P3 ligand with the para-hydoxymethyl sulfonamide isostere as the P2' group | | Descriptor: | CHLORIDE ION, GLYCEROL, N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2017-02-05 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex.
Bioorg. Med. Chem., 25, 2017
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