7PPB
 
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7AT9
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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7ATV
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-31 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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5JYF
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5JY6
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3EB1
 | | Crystal structure PTP1B complex with small molecule inhibitor LZP-25 | | Descriptor: | 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Liu, S, Zheng, L.-F, Wu, L, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q, Zhang, Z.-Y. | | Deposit date: | 2008-08-26 | | Release date: | 2009-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008
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8SYC
 | | Crystal structure of PDE3B in complex with GSK4394835A | | Descriptor: | MAGNESIUM ION, [3-[(4,7-dimethoxyquinolin-2-yl)carbonylamino]-5-[methyl-(phenylmethyl)carbamoyl]phenyl]-oxidanyl-oxidanylidene-boron, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | | Authors: | Concha, N.O, Nolte, R. | | Deposit date: | 2023-05-25 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library.
J.Med.Chem., 67, 2024
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1LHR
 | | Crystal Structure of Pyridoxal Kinase complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, POTASSIUM ION, Pyridoxal kinase, ... | | Authors: | Liang, D.C, Jiang, T, Li, M.H. | | Deposit date: | 2002-04-17 | | Release date: | 2003-02-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of brain pyridoxal kinase, a novel member of the ribokinase superfamily
J.BIOL.CHEM., 277, 2002
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7E2W
 | | Crystal structure of isocitrate dehydrogenase from Ostreococcus tauri in complex with isocitrate and magnesium(II) | | Descriptor: | CITRATE ANION, GLYCEROL, ISOCITRIC ACID, ... | | Authors: | Zhu, G.P, Tang, W.G, Wang, P. | | Deposit date: | 2021-02-07 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of NAD + -linked isocitrate dehydrogenase from the green alga Ostreococcus tauri and its evolutionary relationship with eukaryotic NADP + -linked homologs.
Arch.Biochem.Biophys., 708, 2021
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1LHP
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4LTP
 | | Bacterial sodium channel in high calcium, I222 space group, crystal 2 | | Descriptor: | CALCIUM ION, Ion transport protein | | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | | Deposit date: | 2013-07-23 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels.
J.Mol.Biol., 426, 2014
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3E2B
 | | Crystal structure of Dynein Light chain LC8 in complex with a peptide derived from Swallow | | Descriptor: | ACETATE ION, Dynein light chain 1, cytoplasmic, ... | | Authors: | Benison, G, Barbar, E, Karplus, P.A. | | Deposit date: | 2008-08-05 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The interplay of ligand binding and quaternary structure in the diverse interactions of dynein light chain LC8.
J.Mol.Biol., 384, 2008
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4W5I
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | | Descriptor: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-18 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases.
Bioorg.Med.Chem., 23, 2015
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2VRL
 | | Structure of human MAO B in complex with benzylhydrazine | | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, TOLUENE | | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | | Deposit date: | 2008-04-09 | | Release date: | 2008-04-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B
Biochemistry, 47, 2008
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2VRM
 | | Structure of human MAO B in complex with phenyethylhydrazine | | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, PHENYLETHANE | | Authors: | Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E. | | Deposit date: | 2008-04-09 | | Release date: | 2008-04-22 | | Last modified: | 2014-01-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B
Biochemistry, 47, 2008
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4UX4
 | | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | | Descriptor: | (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-19 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases.
Bioorg.Med.Chem., 23, 2015
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4LTO
 | | Bacterial sodium channel in high calcium, I222 space group | | Descriptor: | CALCIUM ION, Ion transport protein, NICKEL (II) ION | | Authors: | Shaya, D, Findeisen, F, Abderemane-Ali, F, Arrigoni, C, Wong, S, Reddy Nurva, S, Loussouarn, G, Minor, D.L. | | Deposit date: | 2013-07-23 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.46 Å) | | Cite: | Structure of a prokaryotic sodium channel pore reveals essential gating elements and an outer ion binding site common to eukaryotic channels.
J.Mol.Biol., 426, 2014
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5EKA
 | | HU DNA-binding protein from Thermus thermophilus | | Descriptor: | DNA-binding protein HU, GLYCEROL | | Authors: | Papageorgiou, A, Adam, P, Stavros, P, Nounesis, G, Meijers, R, Petratos, K, Vorgias, C.E. | | Deposit date: | 2015-11-03 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | HU histone-like DNA-binding protein from Thermus thermophilus: structural and evolutionary analyses.
Extremophiles, 20, 2016
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9AYX
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8YUU
 | | Cryo-EM structure of the histamine-bound H3R-Gi complex | | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Shen, Q, Tang, X, Wen, X, Cheng, S, Xiao, P, Zang, S, Shen, D, Jiang, L, Zheng, Y, Zhang, H, Xu, H, Mao, C, Zhang, M, Hu, W, Sun, J, Chen, Z, Zhang, Y. | | Deposit date: | 2024-03-27 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Adv Sci, 11, 2024
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9AYY
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6OD6
 | | Structure of BACE-1 in complex with Ligand 13 | | Descriptor: | Beta-secretase 1, GLYCEROL, N-{3-[(3R)-1-amino-3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide | | Authors: | Shaffer, P.L. | | Deposit date: | 2019-03-26 | | Release date: | 2019-09-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Evaluation of a Series of beta-Secretase 1 Inhibitors Containing Novel Heteroaryl-Fused-Piperazine Amidine Warheads.
Acs Med.Chem.Lett., 10, 2019
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1X1V
 | | Structure Of Banana Lectin- Methyl-Alpha-Mannose Complex | | Descriptor: | HEXANE-1,6-DIOL, ZINC ION, lectin, ... | | Authors: | Singh, D.D, Saikrishnan, K, Kumar, P, Surolia, A, Sekar, K, Vijayan, M. | | Deposit date: | 2005-04-14 | | Release date: | 2005-11-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Unusual sugar specificity of banana lectin from Musa paradisiaca and its probable evolutionary origin. Crystallographic and modelling studies
Glycobiology, 15, 2005
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3O85
 | | Giardia lamblia 15.5kD RNA binding protein | | Descriptor: | Ribosomal protein L7Ae | | Authors: | Biswas, S, Maxwell, E.S. | | Deposit date: | 2010-08-02 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.806 Å) | | Cite: | Comparative analysis of the 15.5kD box C/D snoRNP core protein in the primitive eukaryote Giardia lamblia reveals unique structural and functional features.
Biochemistry, 50, 2011
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