5JD3
 
 | | Crystal structure of LAE5, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, LAE5, ... | | 著者 | Stogios, P.J, Xu, X, Nocek, B, Cui, H, Yim, V, Martinez-Martinez, M, Alcaide, M, Ferrer, M, Savchenko, A. | | 登録日 | 2016-04-15 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | To be published
To Be Published
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6G39
 | | Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, IODIDE ION, ... | | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-03-24 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5V3H
 | | Crystal structure of SMYD2 with SAM and EPZ033294 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Boriack-Sjodin, P.A. | | 登録日 | 2017-03-07 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Small molecule inhibitors and CRISPR/Cas9 mutagenesis demonstrate that SMYD2 and SMYD3 activity are dispensable for autonomous cancer cell proliferation.
Plos One, 13, 2018
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7KTE
 | | DNA Polymerase Mu, 8-oxodGTP:Ct Reaction State Ternary Complex, 50 mM Mg2+ (90min) | | 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 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.479 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7Z1R
 | | X-ray crystal structure of SLPYL1-E151D mutant ABA complex | | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, GLYCEROL, SlPYL1-E151D ABA | | 著者 | Infantes, L, Albert, A. | | 登録日 | 2022-02-25 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
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7KTG
 | | DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 50 mM Mg2+ (960min) | | 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 | 2020-11-24 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.445 Å) | | 主引用文献 | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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8OSV
 | | Structural and functional studies of geldanamycin amide synthase ShGdmF | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | | 登録日 | 2023-04-20 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
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6MOO
 | | Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | | 分子名称: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | | 登録日 | 2018-10-04 | | 公開日 | 2019-07-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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5FL2
 | | Revisited cryo-EM structure of Inducible lysine decarboxylase complexed with LARA domain of RavA ATPase | | 分子名称: | ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE | | 著者 | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | | 登録日 | 2015-10-21 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | | 主引用文献 | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava.
Sci.Rep., 6, 2016
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5JFC
 | | NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | 著者 | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, King, P.W, Adams, M.W, Peters, J.W. | | 登録日 | 2016-04-19 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | | 主引用文献 | Mechanistic insights into energy conservation by flavin-based electron bifurcation.
Nat. Chem. Biol., 13, 2017
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6WJG
 | | PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma | | 分子名称: | DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit | | 著者 | Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S. | | 登録日 | 2020-04-13 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | | 主引用文献 | Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma.
Plos Biol., 18, 2020
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6T0P
 | | Cationic Trypsin in Complex with a D-Phe-Pro-2-aminopyridine derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | | 著者 | Ngo, K, Heine, A, Klebe, G. | | 登録日 | 2019-10-03 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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5Z05
 | | Crystal structure of signalling protein from buffalo (SPB-40) with an acetone induced conformation of Trp78 at 1.49 A resolution | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONE, ... | | 著者 | Singh, P.K, Chaudhary, A, Tyagi, T.K, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2017-12-18 | | 公開日 | 2018-01-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies
Arch. Biochem. Biophys., 644, 2018
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7L0H
 | | Vanadate-bound PTP1B T177G | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | 著者 | Shen, R.D, Hengge, A.C, Johnson, S.J. | | 登録日 | 2020-12-11 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
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3KQ6
 | | Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog | | 分子名称: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | 著者 | Wan, Z.L, Hu, S.Q, Whittaker, L, Phillips, N.B, Whittake, J, Ismail-Beigi, F, Weiss, M.A. | | 登録日 | 2009-11-17 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Supramolecular protein engineering: design of zinc-stapled insulin hexamers as a long acting depot.
J.Biol.Chem., 285, 2010
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5A1I
 | | The structure of Human MAT2A in complex with SAM, Adenosine, Methionine and PPNP. | | 分子名称: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ADENOSINE, ... | | 著者 | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | | 登録日 | 2015-04-30 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | | 主引用文献 | Crystallography Captures Catalytic Steps in Human Methionine Adenosyltransferase Enzymes.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6G6O
 | | Crystal structure of the computationally designed Ika8 protein: crystal packing No.1 in P63 | | 分子名称: | GLYCEROL, Ika8 | | 著者 | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | | 登録日 | 2018-04-01 | | 公開日 | 2018-11-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
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5A80
 | | Crystal structure of human JMJD2A in complex with compound 40 | | 分子名称: | 1,2-ETHANEDIOL, 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | 著者 | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | 登録日 | 2015-07-11 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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1A45
 | | GAMMAF CRYSTALLIN FROM BOVINE LENS | | 分子名称: | GAMMAF CRYSTALLIN | | 著者 | Norledge, B.V, Hay, R, Bateman, O.A, Slingsby, C, White, H.E, Moss, D.S, Lindley, P.F, Driessen, H.P.C. | | 登録日 | 1998-02-10 | | 公開日 | 1998-06-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Towards a molecular understanding of phase separation in the lens: a comparison of the X-ray structures of two high Tc gamma-crystallins, gammaE and gammaF, with two low Tc gamma-crystallins, gammaB and gammaD.
Exp.Eye Res., 65, 1997
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5JD4
 | | Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, BENZAMIDINE, CHLORIDE ION, ... | | 著者 | Stogios, P.J, Xu, X, Alcaide, M, Yim, V, Cui, H, Martinez-Martinez, M, Ferrer, M, Savchenko, A. | | 登録日 | 2016-04-15 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structure of LAE6 Ser161Ala mutant, an alpha/beta hydrolase enzyme from the metagenome of Lake Arreo, Spain
To Be Published
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6STG
 | | Human Rab8a phosphorylated at Ser111 in complex with GPPNP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. | | 登録日 | 2019-09-10 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72.
Biochem.J., 477, 2020
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6G7A
 | | Crystal structure of human carbonic anhydrase isozyme XII 2-(benzylamino)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | | 分子名称: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-(2-hydroxyethyl)-2-[(phenylmethyl)amino]-5-sulfamoyl-benzamide, Carbonic anhydrase 12, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2018-04-05 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
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5AQR
 | | Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methoxyquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | | 登録日 | 2015-09-22 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
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6C33
 | | Mycobacterium smegmatis DNA flap endonuclease | | 分子名称: | 5'-3' exonuclease, MANGANESE (II) ION | | 著者 | Shuman, S, Goldgur, Y, Carl, A, Uson, M.L. | | 登録日 | 2018-01-09 | | 公開日 | 2018-03-28 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
Nucleic Acids Res., 46, 2018
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6G7R
 | | Structure of fully reduced variant E28Q of E. coli hydrogenase-1 at pH 8 | | 分子名称: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | | 著者 | Carr, S.B, Armstrong, F.A, Evans, R.M. | | 登録日 | 2018-04-06 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J. Am. Chem. Soc., 140, 2018
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