8OMV
 
 | | Crystal structure of the constitutively active S117E/S181E mutant of human IKK2 | | Descriptor: | Inhibitor of nuclear factor kappa-B kinase subunit beta | | Authors: | McEwen, A.G, Li, C, Moro, S, Poussin-Courmontagne, P, Zanier, K. | | Deposit date: | 2023-03-31 | | Release date: | 2024-04-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (4.16 Å) | | Cite: | Molecular mechanism of IKK catalytic dimer docking to NF-kappa B substrates.
Nat Commun, 15, 2024
|
|
6IUR
 | | A phosphatase complex STRN3-PP2Aa | | Descriptor: | PP2A scaffolding subunit, PROPANE, Striatin-3 | | Authors: | Tang, Y, Zhou, Z.C. | | Deposit date: | 2018-11-30 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Selective Inhibition of STRN3-Containing PP2A Phosphatase Restores Hippo Tumor-Suppressor Activity in Gastric Cancer.
Cancer Cell, 38, 2020
|
|
9DU2
 | | SARS-CoV-2 Mpro in complex with compound 7 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-{[(1Z,2S)-1-imino-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased
Inhibitors Displays Positive Cooperativity and a Mixture of
Covalent and Non-covalent Binding.
To Be Published
|
|
9DU3
 | | SARS-CoV-2 Mpro in complex with compound 1 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-({(2R)-1-hydroxy-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased
Inhibitors Displays Positive Cooperativity and a Mixture of
Covalent and Non-covalent Binding.
To Be Published
|
|
9DU4
 | | SARS-CoV-2 Mpro in complex with compound 3 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-{[(2R)-1-hydroxy-4-(methanesulfonyl)butan-2-yl]amino}-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased
Inhibitors Displays Positive Cooperativity and a Mixture of
Covalent and Non-covalent Binding.
To Be Published
|
|
9DTZ
 | | SARS-CoV-2 Mpro in complex with compound 5 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclopropyl-1-({(2R)-1-imino-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide, SODIUM ION | | Authors: | Bigelow, L, Tang, H, Boguslaw, N, Duda, D.M. | | Deposit date: | 2024-10-02 | | Release date: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibition of Dimeric SARS-CoV-2 Mpro by Aldehyde and Nitrilebased
Inhibitors Displays Positive Cooperativity and a Mixture of
Covalent and Non-covalent Binding.
To Be Published
|
|
8BCU
 | |
8BCP
 | |
5V0W
 | | Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor IMP-0001088 | | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, CHLORIDE ION, Glycylpeptide N-tetradecanoyltransferase, ... | | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2017-02-28 | | Release date: | 2018-03-07 | | Last modified: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of Plasmodium vivax N-myristoyltransferase with inhibitor IMP-1088: exploring an NMT inhibitor for antimalarial therapy
Acta Crystallogr.,Sect.F, 81, 2025
|
|
5FL2
 | | Revisited cryo-EM structure of Inducible lysine decarboxylase complexed with LARA domain of RavA ATPase | | Descriptor: | ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE | | Authors: | Kandiah, E, Carriel, D, Perard, J, Malet, H, Bacia, M, Liu, K, Chan, S.W.S, Houry, W.A, Ollagnier de Choudens, S, Elsen, S, Gutsche, I. | | Deposit date: | 2015-10-21 | | Release date: | 2016-09-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural Insights Into the Escherichia Coli Lysine Decarboxylases and Molecular Determinants of Interaction with the Aaa+ ATPase Rava.
Sci.Rep., 6, 2016
|
|
1ABR
 | | CRYSTAL STRUCTURE OF ABRIN-A | | Descriptor: | ABRIN-A, beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-L-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, beta-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Tahirov, T.H, Lu, T.-H, Liaw, Y.-C, Chu, S.-C, Lin, J.-Y. | | Deposit date: | 1994-11-11 | | Release date: | 1995-02-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Crystal structure of abrin-a at 2.14 A.
J.Mol.Biol., 250, 1995
|
|
