6HTH
 
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5 | | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-04 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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6HU3
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor | | Descriptor: | 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-10-05 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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1HD4
 | | SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [MODELED WITH DIANTENNARY GLYCAN AT ASN78] | | Descriptor: | CHORIONIC GONADOTROPIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | | Deposit date: | 2000-11-07 | | Release date: | 2000-12-07 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Effects of the N-Linked Glycans on the 3D Structure of the Free A-Subunit of Human Chorionic Gonadotropin
Biochemistry, 39, 2000
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1HF0
 | | Crystal structure of the DNA-binding domain of Oct-1 bound to DNA as a dimer | | Descriptor: | DNA 5'-D(*CP*AP*CP*AP*TP*TP*TP*GP*AP*AP*AP*GP*GP* CP*AP*AP*AP*TP*GP*GP*AP*G)-3', DNA 5'-D(*CP*TP*CP*CP*AP*TP*TP*TP*GP*CP*CP*TP*TP* TP*CP*AP*AP*AP*TP*GP*TP*G)-3', OCTAMER-BINDING TRANSCRIPTION FACTOR 1 | | Authors: | Remenyi, A, Tomilin, A, Pohl, E, Scholer, H.R, Wilmanns, M. | | Deposit date: | 2000-11-27 | | Release date: | 2001-11-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Differential Dimer Activities of the Transcription Factor Oct-1 by DNA-Induced Interface Swapping
Mol.Cell, 8, 2001
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5FH5
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6H0U
 | | Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor | | Descriptor: | (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Marcovich, I, Demitri, N, De Zorzi, R, Storici, P. | | Deposit date: | 2018-07-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
Chemmedchem, 14, 2019
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6GXU
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | | Descriptor: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | | Authors: | Shaik, T.B, Marek, M, Romier, C. | | Deposit date: | 2018-06-27 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.917 Å) | | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
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5HF3
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | | Descriptor: | 14-3-3 protein sigma, modified Tau peptide | | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | | Deposit date: | 2016-01-06 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
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1E9J
 | | SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [INCLUDING A SINGLE GLCNAC RESIDUE AT ASN52 AND ASN78] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHORIONIC GONADOTROPIN | | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | | Deposit date: | 2000-10-18 | | Release date: | 2002-07-25 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Effects of the N-linked glycans on the 3D structure of the free alpha-subunit of human chorionic gonadotropin.
Biochemistry, 39, 2000
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5FCW
 | | HDAC8 Complexed with a Hydroxamic Acid | | Descriptor: | 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Cole, K.E, Perry, K. | | Deposit date: | 2015-12-15 | | Release date: | 2016-10-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.979 Å) | | Cite: | Structure of 'linkerless' hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket.
J.Struct.Biol., 195, 2016
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5FH2
 | | The structure of rat cytosolic PEPCK variant E89Q in complex with GTP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Johnson, T.A, Holyoak, T. | | Deposit date: | 2015-12-21 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
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5FRF
 | | Solution structure of reduced and zinc-bound RsrA | | Descriptor: | ANTI-SIGMA FACTOR RSRA, ZINC ION | | Authors: | Zdanowski, K, Pecqueur, L, Werner, J, Potts, J.R, Kleanthous, C. | | Deposit date: | 2015-12-17 | | Release date: | 2016-08-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Anti-Sigma Factor Rsra Responds to Oxidative Stress by Reburying its Hydrophobic Core.
Nat.Commun., 7, 2016
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1H26
 | | CDK2/CyclinA in complex with an 11-residue recruitment peptide from p53 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CELLULAR TUMOR ANTIGEN P53, CYCLIN A2 | | Authors: | Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. | | Deposit date: | 2002-07-31 | | Release date: | 2003-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
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5FH3
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5G1C
 | | Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395 | | Descriptor: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ... | | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | | Deposit date: | 2016-03-24 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
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1H4X
 | | Structure of the Bacillus Cell Fate Determinant SpoIIAA in the Phosphorylated Form | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ANTI-SIGMA F FACTOR ANTAGONIST | | Authors: | Seavers, P.R, Lewis, R.J, Brannigan, J.A, Verschueren, K.H.G, Murshudov, G.N, Wilkinson, A.J. | | Deposit date: | 2001-05-15 | | Release date: | 2001-07-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure of the Bacillus Cell Fate Determinant Spoiiaa in Phosphorylated and Unphosphorylated Forms
Structure, 9, 2001
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5HLN
 | | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ... | | Authors: | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | | Deposit date: | 2016-01-15 | | Release date: | 2016-05-25 | | Last modified: | 2016-07-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects.
Acs Chem.Biol., 11, 2016
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6K09
 | | Crystal structure B of ceNAP1-H2A-H2B complex | | Descriptor: | Histone H2B 1,Histone H2A, Nucleosome Assembly Protein | | Authors: | Liu, Y.R. | | Deposit date: | 2019-05-05 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Crystal structure of xlH2A-H2B
Structure, 2019
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1H4Y
 | | Structure of the Anti-Sigma Factor Antagonist SpoIIAA in its Unphosphorylated Form | | Descriptor: | ANTI-SIGMA F FACTOR ANTAGONIST | | Authors: | Seavers, P.R, Lewis, R.J, Brannigan, J.A, Verschueren, K.H.G, Murshudov, G.N, Wilkinson, A.J. | | Deposit date: | 2001-05-16 | | Release date: | 2001-07-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structure of the Bacillus Cell Fate Determinant Spoiiaa in Phosphorylated and Unphosphorylated Forms
Structure, 9, 2001
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1H4Z
 | | Structure of the Anti-Sigma Factor Antagonist SpoIIAA in its Unphosphorylated Form | | Descriptor: | ANTI-SIGMA F FACTOR ANTAGONIST | | Authors: | Seavers, P.R, Lewis, R.J, Brannigan, J.A, Verschueren, K.H.G, Murshudov, G.N, Wilkinson, A.J. | | Deposit date: | 2001-05-16 | | Release date: | 2001-07-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structure of the Bacillus Cell Fate Determinant Spoiiaa in Phosphorylated and Unphosphorylated Forms
Structure, 9, 2001
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6EHA
 | | Heme oxygenase 1 in complex with inhibitor | | Descriptor: | 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Grudnik, P, Mieczkowski, M. | | Deposit date: | 2017-09-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment.
Arch.Biochem.Biophys., 671, 2019
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6E33
 | | Crystal Structure of Pho7-DNA complex | | Descriptor: | DNA (5'-D(*GP*AP*TP*TP*TP*GP*AP*AP*TP*GP*TP*CP*CP*GP*AP*AP*GP*GP*AP*T)-3'), DNA (5'-D(*TP*CP*CP*TP*TP*CP*GP*GP*AP*CP*AP*TP*TP*CP*AP*AP*AP*TP*CP*A)-3'), Uncharacterized transcriptional regulatory protein C27B12.11c, ... | | Authors: | Garg, A, Goldgur, Y, Shuman, S. | | Deposit date: | 2018-07-13 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | Distinctive structural basis for DNA recognition by the fission yeast Zn2Cys6 transcription factor Pho7 and its role in phosphate homeostasis.
Nucleic Acids Res., 46, 2018
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6EHR
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6ES3
 | | Structure of CDX2-DNA(TCG) | | Descriptor: | DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | Deposit date: | 2017-10-19 | | Release date: | 2018-03-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
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8TAH
 | | Cryo-EM structure of Cortactin-bound to Arp2/3 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1A, ... | | Authors: | Fregoso, F.E, van Eeuwen, T, Dominguez, R. | | Deposit date: | 2023-06-27 | | Release date: | 2023-09-27 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Mechanism of synergistic activation of Arp2/3 complex by cortactin and WASP-family proteins.
Nat Commun, 14, 2023
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