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7L0N
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Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
登録日2020-12-11
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
3USI
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BU of 3usi by Molmil
Crystal structure of LeuT bound to L-leucine in space group P2 from lipid bicelles
分子名称: LEUCINE, SODIUM ION, Transporter
著者Wang, H, Elferich, J, Gouaux, E.
登録日2011-11-23
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.106 Å)
主引用文献Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context.
Nat.Struct.Mol.Biol., 19, 2012
4A3U
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BU of 4a3u by Molmil
X-structure of the old yellow enzyme homologue from zymomonas mobilis (NCR)
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, NADH:FLAVIN OXIDOREDUCTASE/NADH OXIDASE, ...
著者Hoeffken, H.W.
登録日2011-10-04
公開日2012-10-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure Determination and Mutagenesis Analysis of the Ene Reductase Ncr.
Chembiochem, 13, 2012
4RT2
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BU of 4rt2 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with (alpha,beta)-CH2-(beta,gamma)-NH-dTTP
分子名称: 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'), ...
著者Batra, V.K, Wilson, S.H.
登録日2014-11-12
公開日2015-07-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP.
Org.Lett., 17, 2015
4RZM
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BU of 4rzm by Molmil
Crystal structure of the Lsd19-lasalocid A complex
分子名称: CHLORIDE ION, Epoxide hydrolase LasB, FORMIC ACID, ...
著者Mathews, I.I, Hotta, K, Chen, X, Kim, C.-Y.
登録日2014-12-22
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Epoxide hydrolase-lasalocid a structure provides mechanistic insight into polyether natural product biosynthesis.
J.Am.Chem.Soc., 137, 2015
7LQY
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BU of 7lqy by Molmil
Structure of squirrel TRPV1 in apo state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol, CHLORIDE ION, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2021-02-15
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Extracellular cap domain is an essential component of the TRPV1 gating mechanism.
Nat Commun, 12, 2021
7LGT
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BU of 7lgt by Molmil
HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83
分子名称: BROMIDE ION, Beta-2-microglobulin, CHLORIDE ION, ...
著者Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
登録日2021-01-21
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
7LQZ
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Structure of squirrel TRPV1 in complex with RTX
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Osm-9-like TRP channel 1, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2021-02-15
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Extracellular cap domain is an essential component of the TRPV1 gating mechanism.
Nat Commun, 12, 2021
5TYE
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BU of 5tye by Molmil
DNA Polymerase Mu Product Complex, 10 mM Mg2+ (60 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-19
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5U1Z
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BU of 5u1z by Molmil
X-ray structure of the WlarG aminotransferase, apo form, from Campylobacter jejune
分子名称: CHLORIDE ION, Putative aminotransferase, SODIUM ION
著者Holden, H.M, Thoden, J.B, Dow, G.T, Gilbert, M.
登録日2016-11-29
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
5U9J
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BU of 5u9j by Molmil
Crystal structure of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) complexed with geranyl geranyl pyrophoshate
分子名称: Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1), GERAN-8-YL GERAN, ISOPROPYL ALCOHOL, ...
著者Yadav, R.P, Gakhar, L, Liping, Y, Artemyev, N.O.
登録日2016-12-16
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
5UC6
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BU of 5uc6 by Molmil
Structural insights into IL-1 alpha recognition by a naphthyl-modified aptamer that mimics IL-1RI Domain III
分子名称: DNA (5'-D(*CP*G)-R(P*(85Y))-D(P*GP*AP*G)-R(P*(85Y)P*(85Y))-D(P*A)-R(P*(85Y))-D(P*GP*GP*G)-R(P*(85Y)P*(85Y))-D(P*AP*GP*AP*G)-R(P*(85Y))-D(P*CP*GP*(ATD))-3'), Interleukin-1 alpha, MAGNESIUM ION, ...
著者Ren, X, Pyle, A.
登録日2016-12-21
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for IL-1 alpha recognition by a modified DNA aptamer that specifically inhibits IL-1 alpha signaling.
Nat Commun, 8, 2017
5UD2
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BU of 5ud2 by Molmil
Class II fructose-1,6-bisphosphate aldolase H180Q variant of Helicobacter pylori with DHAP
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ...
著者Jacques, B, Sygusch, J.
登録日2016-12-23
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
5UCZ
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BU of 5ucz by Molmil
Class II fructose-1,6-bisphosphate aldolase E149A variant of Helicobacter pylori with DHAP
分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase, SODIUM ION, ...
著者Jacques, B, Sygusch, J.
登録日2016-12-23
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
5U20
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BU of 5u20 by Molmil
X-ray structure of the WlaRG aminotransferase from Campylobacter jejuni, internal PLP-aldimine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Putative aminotransferase, ...
著者Thoden, J.B, Holden, H.M, Dow, G.T, Gilbert, M.
登録日2016-11-29
公開日2017-01-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
5U2R
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BU of 5u2r by Molmil
PRECATALYTIC TERNARY COMPLEX OF HUMAN DNA POLYMERASE BETA WITH GAPPED DNA SUBSTARTE, INCOMING L-DCTP AND CA2+
分子名称: 10- MER PRIMER, 16- MER TEMPLATE, 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, ...
著者Vyas, R, Suo, Z.
登録日2016-11-30
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the D-stereoselectivity of human DNA polymerase beta.
Nucleic Acids Res., 45, 2017
4S2L
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BU of 4s2l by Molmil
Crystal Structure of OXA-163 beta-lactamase
分子名称: Beta-lactamase, SODIUM ION
著者Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B.
登録日2015-01-21
公開日2015-07-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
4ADB
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BU of 4adb by Molmil
Structural and functional study of succinyl-ornithine transaminase from E. coli
分子名称: MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-23
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Determination of the Structure of the Catabolic N-Succinylornithine Transaminase (Astc) from Escherichia Coli.
Plos One, 8, 2013
5UL5
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BU of 5ul5 by Molmil
Crystal structure of RPE65 in complex with MB-004 and palmitate
分子名称: (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, ...
著者Kiser, P.D, Palczewski, K.
登録日2017-01-24
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational Tuning of Visual Cycle Modulator Pharmacodynamics.
J. Pharmacol. Exp. Ther., 362, 2017
5UJ6
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BU of 5uj6 by Molmil
Crystal Structure of Bacteroides Uniformis beta-glucuronidase
分子名称: CALCIUM ION, GLYCEROL, Glycosyl hydrolases family 2, ...
著者Walton, W.G, Redinbo, M.R.
登録日2017-01-17
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An Atlas of beta-Glucuronidases in the Human Intestinal Microbiome.
Structure, 25, 2017
5ULN
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BU of 5uln by Molmil
Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography
分子名称: 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F.
登録日2017-01-25
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.
ACS Med Chem Lett, 8, 2017
7LP9
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BU of 7lp9 by Molmil
Cryo-EM structure of full-length TRPV1 at 4 degrees Celsius
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
4PRI
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BU of 4pri by Molmil
Crystal structure of TK3 TCR-HLA-B*35:08-HPVG complex
分子名称: Beta-2-microglobulin, CHLORIDE ION, Epstein-Barr nuclear antigen 1, ...
著者Yu Chih, L, Rossjohn, J, Gras, S.
登録日2014-03-05
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Molecular Basis for the Interplay between T Cells, Viral Mutants, and Human Leukocyte Antigen Micropolymorphism.
J.Biol.Chem., 289, 2014
5ULP
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BU of 5ulp by Molmil
Structure of the NS5 methyltransferase from Zika bound to MS2042
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl][(4-fluorophenyl)methyl]amino}-5'-deoxyadenosine, CHLORIDE ION, ISOPROPYL ALCOHOL, ...
著者Jain, R, Aggarwal, A.K.
登録日2017-01-25
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Development of a S-adenosylmethionine analog that intrudes the RNA-cap binding site of Zika methyltransferase.
Sci Rep, 7, 2017
5UPZ
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HIV-1 wild Type protease with GRL-0518A , an isophthalamide-derived P2-P3 ligand with the para-hydoxymethyl sulfonamide isostere as the P2' group
分子名称: 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, ...
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2017-02-05
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献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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