7XR7
| Drimenyl diphosphate synthase D303E from Streptomyces showdoensis in complex with farnesyl diphosphate (FPP) and Mg2+ | Descriptor: | FARNESYL DIPHOSPHATE, MAGNESIUM ION, SQHop_cyclase_C domain-containing protein | Authors: | Pan, X.M, Du, W.Y, Yang, Q, Zhang, B, Dong, L.B. | Deposit date: | 2022-05-09 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery, Structure, and Mechanism of a Class II Sesquiterpene Cyclase. J.Am.Chem.Soc., 144, 2022
|
|
8V4U
| |
7KFA
| PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ... | Authors: | Chopra, R, Xu, M, Spraggon, G. | Deposit date: | 2020-10-13 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol, 29, 2022
|
|
7KEV
| PCSK9 in complex with a cyclic peptide LDLR disruptor | Descriptor: | CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ... | Authors: | Spraggon, G, Chopra, R. | Deposit date: | 2020-10-12 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol, 29, 2022
|
|
5GUF
| |
2NZ0
| Crystal structure of potassium channel Kv4.3 in complex with its regulatory subunit KChIP1 | Descriptor: | CALCIUM ION, Kv channel-interacting protein 1, Potassium voltage-gated channel subfamily D member 3, ... | Authors: | Wang, H, Yan, Y, Shen, Y, Chen, L, Wang, K. | Deposit date: | 2006-11-22 | Release date: | 2006-12-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for modulation of Kv4 K(+) channels by auxiliary KChIP subunits. Nat.Neurosci., 10, 2007
|
|
4HTX
| Crystal structure of PDE2 catalytic domain in complex with BAY60-7550 | Descriptor: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Zhu, J, Huang, Q. | Deposit date: | 2012-11-02 | Release date: | 2013-08-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray Crystal Structure of Phosphodiesterase 2 in Complex with a Highly Selective, Nanomolar Inhibitor Reveals a Binding-Induced Pocket Important for Selectivity. J.Am.Chem.Soc., 135, 2013
|
|
4HTZ
| Crystal structure of PDE2 catalytic domain in space group P1 | Descriptor: | MAGNESIUM ION, ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase | Authors: | Zhu, J, Huang, Q. | Deposit date: | 2012-11-02 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray Crystal Structure of Phosphodiesterase 2 in Complex with a Highly Selective, Nanomolar Inhibitor Reveals a Binding-Induced Pocket Important for Selectivity. J.Am.Chem.Soc., 135, 2013
|
|
8DNT
| SARS-CoV-2 specific T cell receptor | Descriptor: | Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ... | Authors: | Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P. | Deposit date: | 2022-07-11 | Release date: | 2023-07-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors. Nat Commun, 14, 2023
|
|
8E50
| Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ... | Authors: | Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H. | Deposit date: | 2022-08-19 | Release date: | 2022-12-21 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structural basis of the acyl-transfer mechanism of human GPAT1. Nat.Struct.Mol.Biol., 30, 2023
|
|
8E4Y
| Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ... | Authors: | Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H. | Deposit date: | 2022-08-19 | Release date: | 2022-12-21 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of the acyl-transfer mechanism of human GPAT1. Nat.Struct.Mol.Biol., 30, 2023
|
|
5UV5
| Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | Descriptor: | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2017-02-19 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase. Antimicrob. Agents Chemother., 61, 2017
|
|
8GPY
| Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | Descriptor: | Spike protein S1, scFv | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | Deposit date: | 2022-08-27 | Release date: | 2023-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
8GOU
| Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ... | Authors: | Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z. | Deposit date: | 2022-08-25 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
5E6A
| Glucocorticoid receptor DNA binding domain - PLAU NF-kB response element complex | Descriptor: | DNA (5'-D(*AP*TP*CP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*GP*AP*T)-3'), Glucocorticoid receptor, ... | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | Deposit date: | 2015-10-09 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
|
|
5E69
| Glucocorticoid receptor DNA binding domain - IL8 NF-kB response element complex | Descriptor: | DNA (5'-D(*AP*TP*CP*GP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*CP*GP*AP*T)-3'), Glucocorticoid receptor, ... | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | Deposit date: | 2015-10-09 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
|
|
5E6D
| Glucocorticoid receptor DNA binding domain - ICAM1 NF-kB response element complex | Descriptor: | DNA (5'-D(*GP*CP*TP*CP*CP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*GP*GP*AP*GP*C)-3'), Glucocorticoid receptor, ... | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | Deposit date: | 2015-10-09 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
|
|
5E6C
| Glucocorticoid receptor DNA binding domain - CCL2 NF-kB response element complex | Descriptor: | DNA (5'-D(*AP*GP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*CP*T)-3'), Glucocorticoid receptor, ... | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | Deposit date: | 2015-10-09 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
|
|
5E6B
| Glucocorticoid receptor DNA binding domain - RELB NF-kB response element complex | Descriptor: | DNA (5'-D(*CP*CP*GP*GP*GP*GP*AP*AP*TP*TP*CP*CP*GP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*AP*AP*TP*TP*CP*CP*CP*CP*GP*G)-3'), Glucocorticoid receptor, ... | Authors: | Hudson, W.H, Rye, E.A, Herbst, A.G, Ortlund, E.A. | Deposit date: | 2015-10-09 | Release date: | 2017-02-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Cryptic glucocorticoid receptor-binding sites pervade genomic NF-kappa B response elements. Nat Commun, 9, 2018
|
|
5IMX
| |
7RFW
| Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | 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, 3C-like proteinase | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
|
|
7RFR
| Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
|
|
7RFU
| Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
|
|
7RFS
| Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | 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, 3C-like proteinase | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
|
|
7RM3
| Antibody 2E10.E9 in complex with P. vivax CSP peptide ANGAGNQPGANGAGNQPGANGAGGQAA | Descriptor: | 2E10.E9 Fab heavy chain, 2E10.E9 Fab light chain, ACETATE ION, ... | Authors: | Kucharska, I, Ivanochko, D, Julien, J.P. | Deposit date: | 2021-07-26 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural basis of Plasmodium vivax inhibition by antibodies binding to the circumsporozoite protein repeats. Elife, 11, 2022
|
|