8AM5
 
 | | RCII/PSI complex, class 3 | | 分子名称: | (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3'R)-3'-hydroxy-beta,beta-caroten-4-one, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | 著者 | Zhao, Z, Vercellino, I, Knoppova, J, Sobotka, R, Murray, J.W, Nixon, P.J, Sazanov, L.A, Komenda, J. | | 登録日 | 2022-08-02 | | 公開日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | The Ycf48 accessory factor occupies the site of the oxygen-evolving manganese cluster during photosystem II biogenesis.
Nat Commun, 14, 2023
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5AR8
 | | RIP2 Kinase Catalytic Domain (1 - 310) complex with Biphenylsulfonamide | | 分子名称: | 2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | | 著者 | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | | 登録日 | 2015-09-24 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
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8SMD
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | | 分子名称: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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8SMG
 | | Structure of SPO1 phage Tad2 in complex with 1''-2' gcADPR | | 分子名称: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Gp34.65 | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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8SMF
 | | Structure of SPO1 phage Tad2 in complex with 1''-3' gcADPR | | 分子名称: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, Gp34.65, MAGNESIUM ION | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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8SM3
 | | Structure of Bacillus cereus VD045 Gabija GajA-GajB Complex | | 分子名称: | Endonuclease GajA, Gabija protein GajB, SULFATE ION | | 著者 | Antine, S.P, Mooney, S.E, Johnson, A.G, Kranzusch, P.J. | | 登録日 | 2023-04-25 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis of Gabija anti-phage defence and viral immune evasion.
Nature, 625, 2024
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8SME
 | | Structure of SPO1 phage Tad2 in apo state | | 分子名称: | Gp34.65 | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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6H40
 | | High resolution structure of MeT1 from Mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol. | | 分子名称: | (2~{S})-3-methoxypropane-1,2-diol, CHLORIDE ION, GLYCEROL, ... | | 著者 | Pereira, P.J.B, Ripoll-Rozada, J. | | 登録日 | 2018-07-20 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.053 Å) | | 主引用文献 | Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5AK8
 | | Structure of C351A mutant of Porphyromonas gingivalis peptidylarginine deiminase | | 分子名称: | 1,2-ETHANEDIOL, ALANINE, ARGININE, ... | | 著者 | Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W. | | 登録日 | 2015-03-02 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis.
Ann.Rheum.Dis., 75, 2016
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5CFQ
 | | Crystal structure of anemone STING (Nematostella vectensis) in complex with 2',3' cGAMP, c[G(2',5')pA(3',5')p] | | 分子名称: | SULFATE ION, Stimulator of Interferon Genes, cGAMP | | 著者 | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | | 登録日 | 2015-07-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
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5CFM
 | | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' cGAMP, c[G(3', 5')pA(3', 5')p] | | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CITRATE ANION, Stimulator of Interferon Genes | | 著者 | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | | 登録日 | 2015-07-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | | 主引用文献 | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
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8SDD
 | | Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate | | 分子名称: | Alpha/beta hydrolase fold protein | | 著者 | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | | 登録日 | 2023-04-06 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
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5CJX
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5CPB
 | | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and inhibition by ligand PT70 (TCU) | | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-21 | | 公開日 | 2015-08-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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6JXM
 | | Crystal Structure of phi29 pRNA domain II | | 分子名称: | BARIUM ION, MAGNESIUM ION, RNA (97-mer) | | 著者 | Cai, R, Price, I.R, Ding, F, Wu, F, Chen, T, Zhang, Y, Liu, G, Jardine, P.J, Lu, C, Ke, A. | | 登録日 | 2019-04-24 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | ATP/ADP modulates gp16-pRNA conformational change in the Phi29 DNA packaging motor.
Nucleic Acids Res., 47, 2019
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8BAD
 | | Tpp80Aa1 | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Binary toxin A-like protein, CALCIUM ION, ... | | 著者 | Best, H.L, Williamson, L.J, Rizkallah, P.J, Berry, C, Lloyd-Evans, E. | | 登録日 | 2022-10-11 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids.
Toxins, 14, 2022
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5CU9
 | | CANDIDA ALBICANS SUPEROXIDE DISMUTASE 5 (SOD5), APO | | 分子名称: | Cell surface Cu-only superoxide dismutase 5, SULFATE ION | | 著者 | Waninger-Saroni, J.J, Taylor, A.B, Hart, P.J, Galaleldeen, A. | | 登録日 | 2015-07-24 | | 公開日 | 2016-07-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | CANDIDA ALBICANS SUPEROXIDE DISMUTASE 5 (SOD5), APO
To Be Published
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6H8F
 | | Fragment of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | | 分子名称: | TssA | | 著者 | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | | 登録日 | 2018-08-02 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
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5COQ
 | | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | | 分子名称: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-20 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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5CP8
 | | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... | | 著者 | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-21 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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5CFN
 | | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3',3' c-di-AMP, c[A(3',5')pA(3',5')p] | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of Interferon Genes | | 著者 | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | | 登録日 | 2015-07-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
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5CPF
 | | Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme | | 分子名称: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Li, H.-J, Lai, C.-T, Pan, P, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | | 登録日 | 2015-07-21 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.409 Å) | | 主引用文献 | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
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5BYJ
 | | Schistosoma mansoni (Blood Fluke) Sulfotransferase/R-oxamniquine Complex | | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | | 著者 | Taylor, A.B, Cao, X, Holloway, S.P, Hart, P.J. | | 登録日 | 2015-06-10 | | 公開日 | 2015-09-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and Functional Characterization of the Enantiomers of the Antischistosomal Drug Oxamniquine.
Plos Negl Trop Dis, 9, 2015
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5BZ7
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5C0G
 | | HLA-A02 carrying YLGGPDFPTI | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | | 登録日 | 2015-06-12 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity.
J.Clin.Invest., 126, 2016
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