7HNZ
 
 | | PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1245793018 | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM21, N,N-dimethylpyridin-4-amine, ... | | Authors: | Kim, Y, Marples, P, Fearon, D, von Delft, F, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-11-04 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
9O9V
 | |
5MUJ
 | | BT0996 RGII Chain B Complex | | Descriptor: | ACETATE ION, Beta-galactosidase, alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-4)-alpha-L-rhamnopyranose-(1-3)-3-C-(hydroxylmethyl)-alpha-D-erythrofuranose | | Authors: | Cartmell, A, Basle, A, Ndeh, D, Luis, A.S, Venditto, I, Labourel, A, Rogowski, A, Gilbert, H.J. | | Deposit date: | 2017-01-13 | | Release date: | 2017-04-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
|
|
6HWB
 | | Yeast 20S proteasome in complex with 44b | | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
|
|
4NV7
 | | Crystal Structure of Mesorhizobium Loti Arylamine N-acetyltransferase 1 In Complex With CoA | | Descriptor: | Arylamine N-acetyltransferase, COENZYME A | | Authors: | Xu, X.M, Haouz, A, Weber, P, Li de la sierra-gallay, I, Kubiak, X, Dupret, J.-M, Rodrigues-lima, F. | | Deposit date: | 2013-12-05 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Insight into cofactor recognition in arylamine N-acetyltransferase enzymes: structure of Mesorhizobium loti arylamine N-acetyltransferase in complex with coenzyme A.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
7HHP
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z31723394 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N,N-diethyl-2-methylbenzamide, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HGY
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z285782452 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-methyl-2-(methylsulfonyl)aniline, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
5TUG
 | |
4ZNS
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 3-Fluoro-substituted OBHS derivative | | Descriptor: | 3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-05-05 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
|
|
5K2B
 | | 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
|
|
7HHE
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1203252645 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-methyl-N-(pyridin-3-yl)acetamide, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HHL
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1262327517 | | Descriptor: | 1,2-ETHANEDIOL, 6-methyl-N-{[(3S)-pyrrolidin-3-yl]methyl}pyridin-2-amine, Hepatoma-derived growth factor-related protein 2, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HHR
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z57744712 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N,N-dimethylmorpholine-4-sulfonamide, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
5MYB
 | | Homodimerization of Tie2 Fibronectin-like domains 2 and 3 in space group P21 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiopoietin-1 receptor, ... | | Authors: | Leppanen, V.-M, Saharinen, P, Alitalo, K. | | Deposit date: | 2017-01-26 | | Release date: | 2017-04-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of Tie2 activation and Tie2/Tie1 heterodimerization.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6EL6
 | | Glucocorticoid Receptor in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | | Authors: | Edman, K, Wissler, L. | | Deposit date: | 2017-09-28 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
|
|
7ZX8
 | | Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (OC) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P. | | Deposit date: | 2022-05-20 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
|
|
7HH8
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1258992717 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-[(3S)-piperidin-3-yl]benzamide, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7HGU
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z216450634 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-cycloheptyl-N-methylmethanesulfonamide, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
7MD1
 | | Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ... | | Authors: | Nuthanakanti, A, Serganov, A, Kaushik, A. | | Deposit date: | 2021-04-02 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance.
Science, 372, 2021
|
|
7HG5
 | | PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z2142244288 | | Descriptor: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2, N-ethyl-2-fluoro-4-(methylsulfonyl)aniline, ... | | Authors: | Vantieghem, T, Osipov, E, Fearon, D, Douangamath, A, von Delft, F, Strelkov, S. | | Deposit date: | 2024-08-29 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Rational fragment-based design of compounds targeting the PWWP domain of the HRP family.
Eur.J.Med.Chem., 280, 2024
|
|
3I60
 | |
4AJG
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
|
|
1H56
 | | Structural and biochemical characterization of a new magnesium ion binding site near Tyr94 in the restriction endonuclease PvuII | | Descriptor: | MAGNESIUM ION, TYPE II RESTRICTION ENZYME PVUII | | Authors: | Spyrida, A, Matzen, C, Lanio, T, Jeltsch, A, Simoncsits, A, Athanasiadis, A, Scheuring-Vanamee, E, Kokkinidis, M, Pingoud, A. | | Deposit date: | 2001-05-20 | | Release date: | 2003-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Biochemical Characterization of a New Mg(2+) Binding Site Near Tyr94 in the Restriction Endonuclease PvuII.
J.Mol.Biol., 331, 2003
|
|
2MAA
 | |
6TB3
 | | yeast 80S ribosome in complex with the Not5 subunit of the CCR4-NOT complex | | Descriptor: | 25S rRNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | | Authors: | Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R. | | Deposit date: | 2019-10-31 | | Release date: | 2020-04-22 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | The Ccr4-Not complex monitors the translating ribosome for codon optimality.
Science, 368, 2020
|
|
