8GHG
 
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4JZ9
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8T52
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8T5A
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8GSG
 | | T3R3 form of Human insulin with single Zn | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Zhu, Z.L. | | Deposit date: | 2022-09-06 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | T3R3 insulin with single Zn
To Be Published
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4JZ8
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4EGM
 | | The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid | | Descriptor: | 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. | | Deposit date: | 2012-03-31 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
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4K0Y
 | | Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Descriptor: | N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | | Deposit date: | 2013-04-04 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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4DT9
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4DNJ
 | | The crystal structures of 4-methoxybenzoate bound CYP199A2 | | Descriptor: | 4-METHOXYBENZOIC ACID, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L. | | Deposit date: | 2012-02-08 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site
Dalton Trans, 41, 2012
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4DAU
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3MQ1
 | | Crystal Structure of Dust Mite Allergen Der p 5 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Mite allergen Der p 5, ... | | Authors: | Mueller, G.A, Gosavi, R.A, Krahn, J.M, Edwards, L.L, Cuneo, M.J, Glesner, J, Pomes, A, Chapman, M.D, London, R.E, Pedersen, L.C. | | Deposit date: | 2010-04-27 | | Release date: | 2010-06-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Der p 5 crystal structure provides insight into the group 5 dust mite allergens.
J.Biol.Chem., 285, 2010
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8GH9
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4DX0
 | | Structure of the 14-3-3/PMA2 complex stabilized by a pyrazole derivative | | Descriptor: | 14-3-3-like protein E, 4-[(4R)-4-(4-nitrophenyl)-6-oxidanylidene-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid, N.plumbaginifolia H+-translocating ATPase mRNA | | Authors: | Richter, A, Rose, R, Hedberg, C, Waldmann, H, Ottmann, C. | | Deposit date: | 2012-02-27 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | An Optimised Small-Molecule Stabiliser of the 14-3-3-PMA2 Protein-Protein Interaction.
Chemistry, 18, 2012
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8TQL
 | | MPI54 bound to Mpro of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-07 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MPI54 bound to SARS-CoV-2 Mpro
To Be Published
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8TQU
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8TQJ
 | | MPI57 bound to Mpro of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-07 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MPI57 bound to SARS-CoV-2 Mpro
To Be Published
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8TQH
 | | MPI68 bound to Mpro of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-07 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MPI68 bound to SARS-CoV-2 Mpro
To Be Published
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8TQT
 | | MPI52 bound to Mpro of SARS-CoV-2 | | Descriptor: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-08 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | MPI52 bound to SARS-CoV-2 Mpro
To Be Published
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8U0G
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8GFO
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4DK9
 | | Crystal Structure of MBD4 Catalytic Domain Bound to Abasic DNA | | Descriptor: | 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*T)-3', Methyl-CpG-binding domain protein 4, ... | | Authors: | Manvilla, B.A, Toth, E.A, Drohat, A.C. | | Deposit date: | 2012-02-03 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Crystal Structure of Human Methyl-Binding Domain IV Glycosylase Bound to Abasic DNA.
J.Mol.Biol., 420, 2012
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4DJG
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8GFR
 | | Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with NBH2 | | Descriptor: | (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Kovalevsky, A, Coates, L. | | Deposit date: | 2023-03-08 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
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8GFU
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