7LM4
| The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | Deposit date: | 2021-02-05 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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8GOG
| Structure of streptavidin mutant (S112Y-K121E) complexed with biotin-cyclopentadienyl-rhodium (III)(Cp*-Rh(III)) | Descriptor: | CHLORIDE ION, GLYCEROL, RHODIUM(III) ION, ... | Authors: | Sairaman, A, Mukherjee, P, Maiti, D, Bhaumik, P. | Deposit date: | 2022-08-24 | Release date: | 2024-02-28 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enantiodivergent synthesis of isoindolones catalysed by a Rh(III)-based artificial metalloenzyme Nat Synth, 3, 2024
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9FTW
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8TJG
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8TUA
| Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4) | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein | Authors: | Cash, J.N, Tesmer, J.J.G. | Deposit date: | 2023-08-15 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4) Elife, 2024
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7Q4W
| CryoEM structure of electron bifurcating Fe-Fe hydrogenase HydABC complex A. woodii in the oxidised state | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Kumar, A, Saura, P, Poeverlein, M.C, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | Deposit date: | 2021-11-02 | Release date: | 2023-02-15 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC. J.Am.Chem.Soc., 145, 2023
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9F18
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9BCM
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9EM1
| Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate | Descriptor: | 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ... | Authors: | Brenner, M, Gohla, A, Schindelin, H. | Deposit date: | 2024-03-07 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase. Elife, 13, 2024
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7S4E
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9AZA
| Crystal structure of LolTv4 | Descriptor: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gao, J, Hai, Y. | Deposit date: | 2024-03-10 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions. J.Am.Chem.Soc., 146, 2024
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9AZB
| Crystal structure of LolTv5 | Descriptor: | Aminotransferase, class V/Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Gao, J, Hai, Y. | Deposit date: | 2024-03-11 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Enzymatic Synthesis of Unprotected alpha , beta-Diamino Acids via Direct Asymmetric Mannich Reactions. J.Am.Chem.Soc., 146, 2024
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2PQM
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7KXJ
| SARS-CoV-2 spike protein in complex with Fab 15033-7, 3-"up", asymmetric | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ... | Authors: | Li, Z, Rini, J. | Deposit date: | 2020-12-04 | Release date: | 2021-02-03 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations. J.Mol.Biol., 433, 2021
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8G9B
| Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-21 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8G8F
| Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-17 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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6QX1
| 2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA. | Descriptor: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | Authors: | Bax, B.D. | Deposit date: | 2019-03-06 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase. Bioorg.Med.Chem.Lett., 29, 2019
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6QX2
| 3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA | Descriptor: | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D. | Deposit date: | 2019-03-06 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure-guided design of antibacterials that allosterically inhibit DNA gyrase. Bioorg.Med.Chem.Lett., 29, 2019
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7KXK
| SARS-CoV-2 spike protein in complex with Fab 15033-7, 2-"up"-1-"down" conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 15033-7 heavy chain, ... | Authors: | Li, Z, Rini, J. | Deposit date: | 2020-12-04 | Release date: | 2021-02-03 | Last modified: | 2021-08-25 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Tetravalent SARS-CoV-2 Neutralizing Antibodies Show Enhanced Potency and Resistance to Escape Mutations. J.Mol.Biol., 433, 2021
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6JIE
| YaeO bound to Magnesium from Vibrio cholerae O395 | Descriptor: | MAGNESIUM ION, YaeO | Authors: | Pal, K, Yadav, M, Sen, U. | Deposit date: | 2019-02-20 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Vibrio cholerae YaeO is a Structural Homologue of RNA Chaperone Hfq that Inhibits Rho-dependent Transcription Termination by Dissociating its Hexameric State. J.Mol.Biol., 431, 2019
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7PUX
| Structure of p97 N-D1(L198W) in complex with Fragment TROLL2 | Descriptor: | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bothe, S, Schindelin, H. | Deposit date: | 2021-10-01 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97 Commun Chem, 5, 2022
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8EGK
| Re-refinement of Crystal Structure of NosGet3d, the All4481 protein from Nostoc sp. PCC 7120 | Descriptor: | AZIDE ION, All4481 protein | Authors: | Barlow, A.N, Manu, M.S, Ramasamy, S, Clemons Jr, W.M. | Deposit date: | 2022-09-12 | Release date: | 2023-05-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structures of Get3d reveal a distinct architecture associated with the emergence of photosynthesis. J.Biol.Chem., 299, 2023
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9C6L
| Yasminevirus c12orf29, a 5' to 3' RNA ligase | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, RNA ligase1, ... | Authors: | Hu, Y, Lopez, V.A, Tagliabracci, V.S, Tomchick, D.R. | Deposit date: | 2024-06-07 | Release date: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Biochemical and structural insights into a 5' to 3' RNA ligase reveal a potential role in tRNA ligation To Be Published
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7PTH
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8BEW
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