7R3L
 
 | | PARP14 catalytic domain in complex with OUL40 | | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, CHLORIDE ION, Poly [ADP-ribose] polymerase 14, ... | | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | | 登録日 | 2022-02-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R3O
 | | PARP15 catalytic domain in complex with OUL40 | | 分子名称: | 6-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Maksimainen, M.M, Murthy, S, Lehtio, L. | | 登録日 | 2022-02-07 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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7R4A
 | | PARP15 catalytic domain in complex with OUL188 | | 分子名称: | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | | 著者 | Murthy, S, Maksimainen, M.M, Lehtio, L. | | 登録日 | 2022-02-08 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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1N65
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7R5X
 | | Tankyrase 2 in complex with an inhibitor (OUL211) | | 分子名称: | 7-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, GLYCEROL, Poly [ADP-ribose] polymerase tankyrase-2, ... | | 著者 | Sowa, S.T, Lehtio, L. | | 登録日 | 2022-02-11 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
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1N6J
 | | Structural basis of sequence-specific recruitment of histone deacetylases by Myocyte Enhancer Factor-2 | | 分子名称: | 5'-D(*AP*GP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*CP*T)-3', Calcineurin-binding protein Cabin 1, ... | | 著者 | Han, A, Pan, F, Stroud, J.C, Youn, H.D, Liu, J.O, Chen, L. | | 登録日 | 2002-11-11 | | 公開日 | 2003-11-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Sequence-specific recruitment of transcriptional co-repressor Cabin1 by myocyte enhancer factor-2
Nature, 422, 2003
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5T5H
 | | Structure and assembly model for the Trypanosoma cruzi 60S ribosomal subunit | | 分子名称: | 40S ribosomal protein L14, 5.8S rRNA, 5S rRNA, ... | | 著者 | Liu, Z, Gutierrez-Vargas, C, Wei, J, Grassucci, R.A, Ramesh, M, Espina, N, Sun, M, Tutuncuoglu, B, Madison-Antenucci, S, Woolford Jr, J.L, Tong, L, Frank, J. | | 登録日 | 2016-08-31 | | 公開日 | 2016-10-12 | | 最終更新日 | 2019-12-18 | | 実験手法 | ELECTRON MICROSCOPY (2.54 Å) | | 主引用文献 | Structure and assembly model for the Trypanosoma cruzi 60S ribosomal subunit.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5SZO
 | | Protocadherin Gamma B7 extracellular cadherin domains 1-4 P41212 crystal form | | 分子名称: | CALCIUM ION, Protocadherin Gamma B7, alpha-D-mannopyranose, ... | | 著者 | Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. | | 登録日 | 2016-08-14 | | 公開日 | 2016-10-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.612 Å) | | 主引用文献 | gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
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5T48
 | | Crystal structure of the D. melanogaster eIF4E-eIF4G complex without lateral contact | | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4G, ... | | 著者 | Gruener, S, Peter, D, Weber, R, Wohlbold, L, Chung, M.-Y, Weichenrieder, O, Valkov, E, Igreja, C, Izaurralde, E. | | 登録日 | 2016-08-29 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | The Structures of eIF4E-eIF4G Complexes Reveal an Extended Interface to Regulate Translation Initiation.
Mol.Cell, 64, 2016
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1N72
 | | Structure and Ligand of a Histone Acetyltransferase Bromodomain | | 分子名称: | HISTONE ACETYLTRANSFERASE | | 著者 | Dhalluin, C, Carlson, J.E, Zeng, L, He, C, Aggarwal, A.K, Zhou, M.-M. | | 登録日 | 2002-11-12 | | 公開日 | 2002-12-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and Ligand of a Histone Acetyltransferase Bromodomain
Nature, 399, 1999
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1N70
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1LA1
 | | Gro-EL Fragment (Apical Domain) Comprising Residues 188-379 | | 分子名称: | GroEL | | 著者 | Ashcroft, A.E, Brinker, A, Coyle, J.E, Weber, F, Kaiser, M, Moroder, L, Parsons, M.R, Jager, J, Hartl, U.F, Hayer-Hartl, M, Radford, S.E. | | 登録日 | 2002-03-27 | | 公開日 | 2002-04-03 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structural plasticity and noncovalent substrate binding in the GroEL apical domain. A study using electrospay ionization mass spectrometry and fluorescence binding studies.
J.Biol.Chem., 277, 2002
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4CDQ
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | | 分子名称: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | | 著者 | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | 登録日 | 2013-11-05 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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1NC6
 | | Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone | | 分子名称: | (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ... | | 著者 | Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E. | | 登録日 | 2002-12-04 | | 公開日 | 2003-09-23 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone.
J.Med.Chem., 46, 2003
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1N9X
 | | structure of microgravity-grown oxidized myoglobin mutant YQR (ISS8A) | | 分子名称: | HYDROXIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Miele, A.E, Sciara, G, Federici, L, Draghi, F, Brunori, M, Vallone, B. | | 登録日 | 2002-11-26 | | 公開日 | 2003-06-10 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Analysis of the effect of microgravity on protein crystal quality: the case of a myoglobin triple mutant.
Acta Crystallogr.,Sect.D, 59, 2003
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1ND5
 | | Crystal Structures of Human Prostatic Acid Phosphatase in Complex with a Phosphate Ion and alpha-Benzylaminobenzylphosphonic Acid Update the Mechanistic Picture and Offer New Insights into Inhibitor Design | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ortlund, E, LaCount, M.W, Lebioda, L. | | 登録日 | 2002-12-07 | | 公開日 | 2002-12-20 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structures of human prostatic acid phosphatase in complex with a
phosphate ion and alpha-benzylaminobenzylphosphonic acid update the
mechanistic picture and offer new insights into inhibitor design
Biochemistry, 42, 2003
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1LEK
 | | Crystal Structure of H-2Kbm3 bound to dEV8 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | 著者 | Luz, J.G, Huang, M, Garcia, K.C, Rudolph, M.G, Apostolopoulos, V, Teyton, L, Wilson, I.A. | | 登録日 | 2002-04-09 | | 公開日 | 2002-06-26 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions.
J.Exp.Med., 195, 2002
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1KGM
 | | SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI | | 分子名称: | SERINE PROTEASE INHIBITOR I | | 著者 | Gaspari, Z, Patthy, A, Graf, L, Perczel, A. | | 登録日 | 2001-11-28 | | 公開日 | 2001-12-12 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
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1NDF
 | | Carnitine Acetyltransferase in Complex with Carnitine | | 分子名称: | CARNITINE, Carnitine Acetyltransferase | | 著者 | Jogl, G, Tong, L. | | 登録日 | 2002-12-09 | | 公開日 | 2003-01-28 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Carnitine Acetyltransferase and Implications for the Catalytic Mechanism and Fatty Acid Transport
Cell(Cambridge,Mass.), 112, 2003
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1KFR
 | | Structural plasticity in the eight-helix fold of a trematode hemoglobin | | 分子名称: | Hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Milani, M, Pesce, A, Dewilde, S, Ascenzi, P, Moens, L, Bolognesi, M. | | 登録日 | 2001-11-22 | | 公開日 | 2002-04-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural plasticity in the eight-helix fold of a trematode haemoglobin.
Acta Crystallogr.,Sect.D, 58, 2002
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5T1A
 | | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ... | | 著者 | Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M. | | 登録日 | 2016-08-18 | | 公開日 | 2016-12-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.806 Å) | | 主引用文献 | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
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5T5S
 | | A fragment of a human tRNA synthetase | | 分子名称: | Alanine--tRNA ligase, cytoplasmic | | 著者 | Sun, L, Schimmel, P. | | 登録日 | 2016-08-31 | | 公開日 | 2016-11-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Two crystal structures reveal design for repurposing the C-Ala domain of human AlaRS.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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1KGL
 | | Solution structure of cellular retinol binding protein type-I in complex with all-trans-retinol | | 分子名称: | CELLULAR RETINOL-BINDING PROTEIN TYPE I, RETINOL | | 著者 | Franzoni, L, Luecke, C, Perez, C, Cavazzini, D, Rademacher, M, Ludwig, C, Spisni, A, Rossi, G.L, Rueterjans, H. | | 登録日 | 2001-11-27 | | 公開日 | 2002-06-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and Backbone Dynamics of Apo- and Holo-cellular Retinol-binding
Protein in Solution.
J.Biol.Chem., 277, 2002
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1NXU
 | | CRYSTAL STRUCTURE OF E. COLI HYPOTHETICAL OXIDOREDUCTASE YIAK NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82. | | 分子名称: | Hypothetical oxidoreductase yiaK, SULFATE ION | | 著者 | Forouhar, F, Lee, I, Benach, J, Kulkarni, K, Xiao, R, Acton, T.B, Shastry, R, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2003-02-11 | | 公開日 | 2003-03-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Novel NAD-binding Protein Revealed by the Crystal Structure of 2,3-Diketo-L-gulonate Reductase (YiaK).
J.Biol.Chem., 279, 2004
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5T25
 | | Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli. | | 分子名称: | 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE, SODIUM ION | | 著者 | Chooback, L, Thomas, L.M, Karsten, W.E, Fleming, C.D, Seabourn, P. | | 登録日 | 2016-08-23 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.991 Å) | | 主引用文献 | Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
To Be Published
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