8TTR
 
 | | CA9 mimic bound to SH7 | | Descriptor: | 4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2023-08-14 | | Release date: | 2024-11-27 | | Last modified: | 2024-12-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 4-(Pyrazolyl)benzenesulfonamide Ureas as Carbonic Anhydrases Inhibitors and Hypoxia-Mediated Chemo-Sensitizing Agents in Colorectal Cancer Cells.
J.Med.Chem., 67, 2024
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8TO0
 | | 48-nm repeating structure of doublets from mouse sperm flagella | | Descriptor: | Cilia- and flagella- associated protein 210, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ... | | Authors: | Chen, Z, Shiozak, M, Hass, K.M, Skinner, W, Zhao, S, Guo, C, Polacco, B.J, Yu, Z, Krogan, N.J, Kaake, R.M, Vale, R.D, Agard, D.A. | | Deposit date: | 2023-08-02 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | De novo protein identification in mammalian sperm using in situ cryoelectron tomography and AlphaFold2 docking.
Cell, 186, 2023
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8UCH
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCE
 | | Thermophilic RNA Ligase from Palaeococcus pacificus + AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCI
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCG
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K92A | | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8UCF
 | | Thermophilic RNA Ligase from Palaeococcus pacificus K238G | | Descriptor: | ATP dependent DNA ligase, GLYCEROL, MAGNESIUM ION | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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7C7P
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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3S85
 | | Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611. | | Descriptor: | Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A. | | Deposit date: | 2011-05-27 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
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3S41
 | | Glucokinase in complex with activator and glucose | | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | | Authors: | Liu, S. | | Deposit date: | 2011-05-18 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
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8Z2Q
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8Z2T
 | | Crystal structure of trehalose synthase from Deinococcus radiodurans complexed with validoxylamine A (VAA) | | Descriptor: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Ye, L.C, Chen, S.C. | | Deposit date: | 2024-04-13 | | Release date: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structural and Mutational Analyses of Trehalose Synthase from Deinococcus radiodurans Reveal the Interconversion of Maltose-Trehalose Mechanism.
J.Agric.Food Chem., 72, 2024
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8Z2L
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8Z2R
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8Z2S
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8Z2U
 | | Crystal structure of trehalose synthase mutamt E324D from Deinococcus radiodurans complexed with validoxylamine A (VAA) | | Descriptor: | (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Ye, L.C, Chen, S.C. | | Deposit date: | 2024-04-13 | | Release date: | 2025-01-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and Mutational Analyses of Trehalose Synthase from Deinococcus radiodurans Reveal the Interconversion of Maltose-Trehalose Mechanism.
J.Agric.Food Chem., 72, 2024
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8YZD
 | | Structure of JN.1 RBD protein in complex with ACE2. | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein,Fibritin,fusion protein | | Authors: | Wang, Y.J, Zhang, X, Sun, L. | | Deposit date: | 2024-04-06 | | Release date: | 2025-01-22 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Lineage-specific pathogenicity, immune evasion, and virological features of SARS-CoV-2 BA.2.86/JN.1 and EG.5.1/HK.3.
Nat Commun, 15, 2024
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8YZE
 | | The JN.1 spike protein (S) in complex with ACE2. | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein,Fibritin,Expression Tag | | Authors: | Wang, Y.J, Zhang, X, Sun, L. | | Deposit date: | 2024-04-06 | | Release date: | 2025-01-22 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Lineage-specific pathogenicity, immune evasion, and virological features of SARS-CoV-2 BA.2.86/JN.1 and EG.5.1/HK.3.
Nat Commun, 15, 2024
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8YZC
 | | Structure of BA.2.86 spike protein in complex with ACE2. | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein,Fibritin,Expression Tag | | Authors: | Wang, Y.J, Zang, X, Sun, L. | | Deposit date: | 2024-04-06 | | Release date: | 2025-01-22 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Lineage-specific pathogenicity, immune evasion, and virological features of SARS-CoV-2 BA.2.86/JN.1 and EG.5.1/HK.3.
Nat Commun, 15, 2024
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8YZB
 | | BA.2.86 RBD protein in complex with ACE2. | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein,Fibritin,fusion protein | | Authors: | Wang, Y.J, Zhang, X, Sun, L. | | Deposit date: | 2024-04-06 | | Release date: | 2025-01-22 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Lineage-specific pathogenicity, immune evasion, and virological features of SARS-CoV-2 BA.2.86/JN.1 and EG.5.1/HK.3.
Nat Commun, 15, 2024
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8YWD
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4NI0
 | | Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound | | Descriptor: | 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | | Deposit date: | 2013-11-05 | | Release date: | 2014-08-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
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4NI1
 | | Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound | | Descriptor: | 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W. | | Deposit date: | 2013-11-05 | | Release date: | 2014-09-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
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4N56
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4N5S
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