6LPK
 
 | | A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
|
|
1RJG
 | | Structure of PPM1, a leucine carboxy methyltransferase involved in the regulation of protein phosphatase 2A activity | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, carboxy methyl transferase for protein phosphatase 2A catalytic subunit | | Authors: | Leulliot, N, Quevillon-Cheruel, S, Sorel, I, Li de La Sierra-Gallay, I, Collinet, B, Graille, M, Blondeau, K, Bettache, N, Poupon, A, Janin, J, van Tilbeurgh, H. | | Deposit date: | 2003-11-19 | | Release date: | 2003-12-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure of protein phosphatase methyltransferase 1 (PPM1), a leucine carboxyl methyltransferase involved in the regulation of protein phosphatase 2A activity
J.Biol.Chem., 279, 2004
|
|
7GEZ
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ALP-POS-6747fa38-1 (Mpro-x11541) | | Descriptor: | 2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
7GFO
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ROB-IMP-e811baff-1 (Mpro-x11798) | | Descriptor: | 2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
3GCU
 | | Human P38 MAP kinase in complex with RL48 | | Descriptor: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-02-22 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
|
|
7GG3
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with AAR-RCN-748c104b-1 (Mpro-x12080) | | Descriptor: | (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
5ZEP
 | | M. smegmatis hibernating state 70S ribosome structure | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Mishra, S, Ahmed, T, Tyagi, A, Shi, J, Bhushan, S. | | Deposit date: | 2018-02-27 | | Release date: | 2018-09-26 | | Last modified: | 2025-09-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of Mycobacterium smegmatis 70S ribosomes in complex with HPF, tmRNA, and P-tRNA.
Sci Rep, 8, 2018
|
|
7WV9
 | | Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein | | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ... | | Authors: | Xu, Z, Shao, Z. | | Deposit date: | 2022-02-10 | | Release date: | 2022-06-15 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
|
|
7GG0
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with PET-UNK-e44ffd04-1 (Mpro-x12026) | | Descriptor: | 2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.512 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
|
|
3W5M
 | | Crystal Structure of Streptomyces avermitilis alpha-L-rhamnosidase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Putative rhamnosidase | | Authors: | Fujimoto, Z, Jackson, A, Michikawa, M, Maehara, T, Momma, M, Henrissat, B.F, Gilbert, H.J, Kaneko, S. | | Deposit date: | 2013-01-31 | | Release date: | 2013-03-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of a Streptomyces avermitilis alpha-L-rhamnosidase reveals a novel carbohydrate-binding module CBM67 within the six-domain arrangement.
J.Biol.Chem., 288, 2013
|
|
1RPJ
 | | CRYSTAL STRUCTURE OF D-ALLOSE BINDING PROTEIN FROM ESCHERICHIA COLI | | Descriptor: | PROTEIN (PRECURSOR OF PERIPLASMIC SUGAR RECEPTOR), SULFATE ION, ZINC ION, ... | | Authors: | Chaudhuri, B, Jones, T.A, Mowbray, S.L. | | Deposit date: | 1999-02-04 | | Release date: | 1999-02-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of D-allose binding protein from Escherichia coli bound to D-allose at 1.8 A resolution.
J.Mol.Biol., 286, 1999
|
|
4ED1
 | | Human DNA polymerase eta - DNA ternary complex: AT crystal at pH 7.0 (Na+ MES) with 1 Ca2+ ion | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*AP*GP*CP*GP*TP*CP*AP*T)-3'), ... | | Authors: | Nakamura, T, Zhao, Y, Yang, W. | | Deposit date: | 2012-03-26 | | Release date: | 2012-07-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.806 Å) | | Cite: | Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
|
|
3WGH
 | | Crystal structure of RSP in complex with beta-NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CACODYLATE ION, Redox-sensing transcriptional repressor rex, ... | | Authors: | Zheng, Y, Ko, T.-P, Guo, R.-T. | | Deposit date: | 2013-08-05 | | Release date: | 2014-08-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Distinct structural features of Rex-family repressors to sense redox levels in anaerobes and aerobes.
J.Struct.Biol., 188, 2014
|
|
4OGK
 | | X-ray structure of the uridine phosphorylase from Salmonella typhimurium in complex with thymidine at 2.40 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL, ... | | Authors: | Sotnichenko, S.E, Lashkov, A.A, Gabdoulkhakov, A.G, Mikhailov, A.M. | | Deposit date: | 2014-01-16 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structure of the uridine phosphorylase from Salmonella typhimurium in complex with thymidine at 2.40 A resolution
To be Published
|
|
4JOA
 | | Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | | Descriptor: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | | Authors: | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | | Deposit date: | 2013-03-18 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
Bioorg.Med.Chem.Lett., 23, 2013
|
|
5WVE
 | | Apaf-1-Caspase-9 holoenzyme | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apoptotic protease-activating factor 1, Caspase, ... | | Authors: | Li, Y, Zhou, M, Hu, Q, Shi, Y. | | Deposit date: | 2016-12-24 | | Release date: | 2017-02-08 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Mechanistic insights into caspase-9 activation by the structure of the apoptosome holoenzyme
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
3DR7
 | | GDP-perosamine synthase from Caulobacter crescentus with bound GDP-3-deoxyperosamine | | Descriptor: | (2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyl-oxan-2-yl, 1,2-ETHANEDIOL, Putative perosamine synthetase | | Authors: | Holden, H.M, Cook, P.D, Carney, A.E. | | Deposit date: | 2008-07-10 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Accommodation of GDP-linked sugars in the active site of GDP-perosamine synthase
Biochemistry, 47, 2008
|
|
5VO2
 | |
6ZYU
 | | Structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM549 | | Descriptor: | (4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, (4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, ACETATE ION, ... | | Authors: | Dorosz, J, Christensen, K.M, Kastrup, J.S. | | Deposit date: | 2020-08-03 | | Release date: | 2021-08-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of Thiochroman Dioxide Analogues of Benzothiadiazine Dioxides as New Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors.
Acs Chem Neurosci, 12, 2021
|
|
5VPC
 | | Transcription factor FosB/JunD bZIP domain in its oxidized form, type-II crystal | | Descriptor: | CHLORIDE ION, Protein fosB, SODIUM ION, ... | | Authors: | Yin, Z, Machius, M.C, Rudenko, G. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-06 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
|
|
3NQN
 | |
7A0K
 | |
7FD3
 | | IL-1RAPL2 TIR domain | | Descriptor: | X-linked interleukin-1 receptor accessory protein-like 2 | | Authors: | Wang, X, Zhou, J. | | Deposit date: | 2021-07-15 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural basis of the IL-1 receptor TIR domain-mediated IL-1 signaling
Iscience, 25, 2022
|
|
3NR4
 | | Pyrabactin-bound PYL2 | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2 | | Authors: | Yan, N. | | Deposit date: | 2010-06-30 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Single amino acid alteration between Valine and Isoleucine determines the distinct pyrabactin selectivity by PYL1 and PYL2
J.Biol.Chem., 285, 2010
|
|
4L3J
 | | Crystal structures of human p70S6K1 kinase domain | | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, ZINC ION | | Authors: | Wang, J, Zhong, C, Ding, J. | | Deposit date: | 2013-06-06 | | Release date: | 2013-07-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
|
|
