7P0R
| Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate conformation | Descriptor: | GLYCEROL, Indoleamine 2,3-dioxygenase 1, N'-Formylkynurenine, ... | Authors: | Mirgaux, M, Wouters, J. | Deposit date: | 2021-06-30 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site. Int J Tryptophan Res, 14, 2021
|
|
5KPG
| Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7 | Descriptor: | Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | Deposit date: | 2016-07-04 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism. J.Biol.Chem., 291, 2016
|
|
7P0N
| Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation | Descriptor: | CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Mirgaux, M, Wouters, J. | Deposit date: | 2021-06-30 | Release date: | 2021-12-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site. Int J Tryptophan Res, 14, 2021
|
|
7VLP
| Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.50251937 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
|
|
6ILQ
| Crystal structure of PPARgamma with compound BR101549 | Descriptor: | Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma, ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Authors: | Hong, E, Jang, T.H, Chin, J, Kim, K.H, Jung, W, Kim, S.H. | Deposit date: | 2018-10-19 | Release date: | 2019-09-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Identification of BR101549 as a lead candidate of non-TZD PPAR gamma agonist for the treatment of type 2 diabetes: Proof-of-concept evaluation and SAR. Bioorg.Med.Chem.Lett., 29, 2019
|
|
1IDK
| PECTIN LYASE A | Descriptor: | PECTIN LYASE A | Authors: | Mayans, O, Scott, M, Connerton, I, Gravesen, T, Benen, J, Visser, J, Pickersgill, R, Jenkins, J. | Deposit date: | 1996-10-04 | Release date: | 1997-10-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Two crystal structures of pectin lyase A from Aspergillus reveal a pH driven conformational change and striking divergence in the substrate-binding clefts of pectin and pectate lyases. Structure, 5, 1997
|
|
6IRD
| Complex structure of INADL PDZ89 and PLCb4 C-terminal CC-PBM | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, GOLD ION, InaD-like protein | Authors: | Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M. | Deposit date: | 2018-11-12 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.813 Å) | Cite: | An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors. Elife, 7, 2018
|
|
6ILD
| Crystal Structure of Human LysRS: P38/AIMP2 Complex II | Descriptor: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, GLYCEROL, ... | Authors: | Hei, Z, Liu, Z, Wang, J, Fang, P. | Deposit date: | 2018-10-17 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex. J. Biol. Chem., 294, 2019
|
|
2LXP
| NMR structure of two domains in ubiquitin ligase gp78, RING and G2BR, bound to its conjugating enzyme Ube2g | Descriptor: | E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2, ZINC ION | Authors: | Das, R, Linag, Y, Mariano, J, Li, J, Huang, T, King, A, Weissman, A, Ji, X, Byrd, R. | Deposit date: | 2012-08-30 | Release date: | 2013-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine. Embo J., 32, 2013
|
|
5X4S
| Structure of the N-terminal domain (NTD)of SARS-CoV spike protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Yuan, Y, Zhang, Y, Qi, J, Shi, Y, Gao, G.F. | Deposit date: | 2017-02-14 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
|
|
7OXG
| ttSlyD FKBP domain with M8A pseudo-wild-type S2 peptide | Descriptor: | 30S ribosomal protein S2, CHLORIDE ION, IMIDAZOLE, ... | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
|
|
7OXI
| ttSlyD with W4A pseudo-wild-type S2 peptide | Descriptor: | 30S ribosomal protein S2, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
|
|
7OXH
| ttSlyD with pseudo-wild-type S2 peptide | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 30S ribosomal protein S2, CHLORIDE ION, ... | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
|
|
7OXK
| ttSlyD with W4K pseudo-wild-type S2 peptide | Descriptor: | 30S ribosomal protein S2, Peptidyl-prolyl cis-trans isomerase | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
|
|
7OXJ
| ttSlyD with M8A pseudo-wild-type S2 peptide | Descriptor: | 30S ribosomal protein S2, CHLORIDE ION, Fragment of 30S ribosomal protein S2 peptide, ... | Authors: | Pazicky, S, Lei, J, Loew, C. | Deposit date: | 2021-06-22 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Impact of distant peptide substrate residues on enzymatic activity of SlyD. Cell.Mol.Life Sci., 79, 2022
|
|
7OUO
| Crystal structure of RNA duplex [UCGUGCGA]2 in complex with Ba2+ cation | Descriptor: | BARIUM ION, RNA (5'-R(*UP*CP*GP*UP*GP*CP*GP*A)-3') | Authors: | Ruszkowski, M, Mao, S, Zheng, Y.Y, Ruszkowska, A, Sheng, J. | Deposit date: | 2021-06-12 | Release date: | 2022-03-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.212 Å) | Cite: | Structural Insights Into the 5'UG/3'GU Wobble Tandem in Complex With Ba 2+ Cation. Front Mol Biosci, 8, 2021
|
|
7R75
| Structure of human SHP2 in complex with compound 16 | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(3-chlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
|
|
7R7D
| Structure of human SHP2 in complex with compound 22 | Descriptor: | 4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine, TETRAETHYLENE GLYCOL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
|
|
7R7L
| Structure of human SHP2 in complex with compound 30 | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
|
|
7R7I
| Structure of human SHP2 in complex with compound 27 | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11, [3-(4-amino-4-methylpiperidin-1-yl)-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol | Authors: | Leonard, P.G, Cross, J. | Deposit date: | 2021-06-24 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of 6-[(3 S ,4 S )-4-Amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methyl-3,4-dihydropyrimidin-4-one (IACS-15414), a Potent and Orally Bioavailable SHP2 Inhibitor. J.Med.Chem., 64, 2021
|
|
6ILT
| Structure of Arabidopsis thaliana Ribokinase complexed with ATP and Magnesium ion | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ribokinase, ... | Authors: | Kang, P, Oh, J, Rhee, S. | Deposit date: | 2018-10-19 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana. J. Struct. Biol., 206, 2019
|
|
4Q9V
| Crystal structure of TIPE3 | Descriptor: | CHLORIDE ION, SULFATE ION, Tumor necrosis factor alpha-induced protein 8-like protein 3 | Authors: | Wu, J, Zhang, X, Chen, Y.H, Shi, Y. | Deposit date: | 2014-05-02 | Release date: | 2014-10-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | TIPE3 Is the Transfer Protein of Lipid Second Messengers that Promote Cancer. Cancer Cell, 26, 2014
|
|
4QEP
| crystal structure of KRYPTONITE in complex with mCHG DNA and SAH | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*CP*TP*GP*AP*GP*TP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*TP*(5CM)P*AP*GP*CP*AP*GP*TP*AP*T)-3'), Histone-lysine N-methyltransferase, ... | Authors: | Du, J, Li, S, Patel, D.J. | Deposit date: | 2014-05-17 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Mechanism of DNA Methylation-Directed Histone Methylation by KRYPTONITE. Mol.Cell, 55, 2014
|
|
6IUT
| Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody AVFluIgG01 | Descriptor: | 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, AVFluIgG01 Heavy Chain, ... | Authors: | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | Deposit date: | 2018-11-30 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional definition of a vulnerable site on the hemagglutinin of highly pathogenic avian influenza A virus H5N1. J. Biol. Chem., 294, 2019
|
|
4QEN
| crystal structure of KRYPTONITE in complex with mCHH DNA and SAH | Descriptor: | DNA (5'-D(*AP*CP*TP*GP*AP*TP*GP*AP*GP*TP*AP*CP*CP*AP*T)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*TP*(5CM)P*AP*TP*CP*AP*GP*TP*AP*T)-3'), Histone-lysine N-methyltransferase, ... | Authors: | Du, J, Li, S, Patel, D.J. | Deposit date: | 2014-05-17 | Release date: | 2014-07-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Mechanism of DNA Methylation-Directed Histone Methylation by KRYPTONITE. Mol.Cell, 55, 2014
|
|