2IVO
 
 | | Structure of UP1 protein | | Descriptor: | TUNGSTATE(VI)ION, UP1 | | Authors: | Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P. | | Deposit date: | 2006-06-14 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
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2IVN
 | | Structure of UP1 protein | | Descriptor: | GLYCEROL, MAGNESIUM ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE, ... | | Authors: | Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P. | | Deposit date: | 2006-06-14 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
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2IVP
 | | Structure of UP1 protein | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FE (II) ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE | | Authors: | Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P. | | Deposit date: | 2006-06-14 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
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2VWB
 | | Structure of the archaeal Kae1-Bud32 fusion protein MJ1130: a model for the eukaryotic EKC-KEOPS subcomplex involved in transcription and telomere homeostasis. | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PUTATIVE O-SIALOGLYCOPROTEIN ENDOPEPTIDASE | | Authors: | Hecker, A, Lopreiato, R, Graille, M, Collinet, B, Forterre, P, Domenico, L, van Tilbeurgh, H. | | Deposit date: | 2008-06-20 | | Release date: | 2008-08-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structure of the Archaeal Kae1/Bud32 Fusion Protein Mj1130: A Model for the Eukaryotic Ekc/Keops Subcomplex
Embo J., 27, 2008
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9C0Y
 | | Clathrin terminal domain complexed with Pitstop 2c | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ... | | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | | Deposit date: | 2024-05-28 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
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9C0Z
 | | Clathrin terminal domain complexed with pitstop 2d | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | | Deposit date: | 2024-05-28 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function
To Be Published
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4USS
 | | Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione | | Descriptor: | GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION | | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A. | | Deposit date: | 2014-07-13 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones.
FEBS Lett., 589, 2015
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4PQH
 | | Crystal structure of glutathione transferase lambda1 from Populus trichocarpa | | Descriptor: | GLUTATHIONE, SODIUM ION, glutathione transferase lambda1 | | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Prosper, P, Didierjean, C, Haouz, A, Saul, F, Rouhier, N, Hecker, A. | | Deposit date: | 2014-03-03 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and enzymatic insights into Lambda glutathione transferases from Populus trichocarpa, monomeric enzymes constituting an early divergent class specific to terrestrial plants.
Biochem.J., 462, 2014
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6SGO
 | | NMR structure of MLP124017 | | Descriptor: | Secreted protein | | Authors: | Barthe, P, de Guillen, K, Padilla, A, Hecker, A. | | Deposit date: | 2019-08-05 | | Release date: | 2019-12-18 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds.
Sci Rep, 9, 2019
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4PQI
 | | Crystal structure of glutathione transferase lambda3 from Populus trichocarpa | | Descriptor: | CALCIUM ION, GLUTATHIONE, In2-1 family protein, ... | | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Prosper, P, Didierjean, C, Haouz, A, Saul, F, Rouhier, N, Hecker, A. | | Deposit date: | 2014-03-03 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and enzymatic insights into Lambda glutathione transferases from Populus trichocarpa, monomeric enzymes constituting an early divergent class specific to terrestrial plants.
Biochem.J., 462, 2014
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6H0I
 | | Solution structure of Melampsora larici-populina MlpP4.1 | | Descriptor: | Secreted protein | | Authors: | Tsan, P, Petre, B, Hecker, A, Rouhier, N, Duplessis, S. | | Deposit date: | 2018-07-09 | | Release date: | 2018-08-22 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds.
Sci Rep, 9, 2019
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7PKA
 | | Synechocystis sp. PCC6803 glutathione transferase Chi 1, GSOH bound | | Descriptor: | Glutathione S-transferase, POTASSIUM ION, S-Hydroxy-Glutathione | | Authors: | Didierjean, C, Mocchetti, E, Hecker, A, Favier, F. | | Deposit date: | 2021-08-25 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure and functions of glutathione transferase Chi 1 from cyanobacterium Synechocystis sp. PCC 6803
To Be Published
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1UPV
 | | Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist | | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA | | Authors: | Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H. | | Deposit date: | 2003-10-13 | | Release date: | 2004-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist
J.Mol.Biol., 334, 2003
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1UPW
 | | Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist | | Descriptor: | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA | | Authors: | Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H. | | Deposit date: | 2003-10-13 | | Release date: | 2004-10-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist
J.Mol.Biol., 334, 2003
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5LKD
 | | Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae in complex with glutathione | | Descriptor: | GLUTATHIONE, Glutathione S-transferase omega-like 2 | | Authors: | Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F. | | Deposit date: | 2016-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones.
Plos One, 11, 2016
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2N9Q
 | | Photoswitchable G-quadruplex | | Descriptor: | DNA (5'-D(*GP*GP*(AZW)P*GP*G)-3'), POTASSIUM ION | | Authors: | Thevarpadam, J, Bessi, I, Binas, O, Goncalves, D.P.N, Slavov, C, Jonker, H.R.A, Richter, C, Wachtveitl, J, Schwalbe, H, Heckel, A. | | Deposit date: | 2015-12-02 | | Release date: | 2016-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Photoresponsive Formation of an Intermolecular Minimal G-Quadruplex Motif.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5LKB
 | | Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae | | Descriptor: | GLYCEROL, Glutathione S-transferase omega-like 2 | | Authors: | Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F. | | Deposit date: | 2016-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones.
Plos One, 11, 2016
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4BB9
 | | Crystal structure of glucokinase regulatory protein complexed to fructose-1-phosphate | | Descriptor: | 1-O-phosphono-beta-D-fructopyranose, CALCIUM ION, GLUCOKINASE REGULATORY PROTEIN | | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinert, D, Heckel, A, Schnapp, G, Kauschke, S.G. | | Deposit date: | 2012-09-21 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystal Structure of Glucokinase Regulatory Protein.
Biochemistry, 52, 2013
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4BBA
 | | Crystal structure of glucokinase regulatory protein complexed to phosphate | | Descriptor: | GLUCOKINASE REGULATORY PROTEIN, PHOSPHATE ION | | Authors: | Pautsch, A, Stadler, N, Loehle, A, Lenter, M, Rist, W, Berg, A, Glocker, L, Nar, H, Reinhart, D, Heckel, A, Schnapp, G, Kauschke, S.G. | | Deposit date: | 2012-09-21 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal Structure of Glucokinase Regulatory Protein.
Biochemistry, 52, 2013
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3C7Q
 | | Structure of VEGFR2 kinase domain in complex with BIBF1120 | | Descriptor: | SULFATE ION, Vascular endothelial growth factor receptor 2, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | | Authors: | Hilberg, F, Roth, G.J, Krssak, M, Kautschitsch, S, Sommergruber, W, Tontsch-Grunt, U, Garin-Chesa, P, Bader, G, Zoephel, A, Quant, J, Heckel, A, Rettig, W.J. | | Deposit date: | 2008-02-08 | | Release date: | 2008-12-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.
Cancer Res., 68, 2008
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2X7O
 | | Crystal structure of TGFbRI complexed with an indolinone inhibitor | | Descriptor: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I | | Authors: | Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. | | Deposit date: | 2010-03-03 | | Release date: | 2010-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri)
J.Med.Chem., 53, 2010
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9EO0
 | | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | | Deposit date: | 2024-03-14 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
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7XAD
 | | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | | Descriptor: | DBL2_02 binder, Programmed cell death 1 ligand 1 | | Authors: | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | | Deposit date: | 2022-03-17 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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7XYQ
 | | Crystal strucutre of PD-L1 and the computationally designed DBL1_03 protein binder | | Descriptor: | ARGININE, CD274 molecule, DBL1_03 | | Authors: | Liu, K, Xu, Z, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S. | | Deposit date: | 2022-06-02 | | Release date: | 2023-04-12 | | Last modified: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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8A9I
 | | PI3KC2a core in complex with PITCOIN1 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ... | | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | Deposit date: | 2022-06-28 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha.
Nat.Chem.Biol., 19, 2023
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