6MYV
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![BU of 6myv by Molmil](/molmil-images/mine/6myv) | Sialidase26 co-crystallized with DANA-Gc | Descriptor: | 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26 | Authors: | Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K. | Deposit date: | 2018-11-02 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates. Nat Microbiol, 4, 2019
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6RPQ
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![BU of 6rpq by Molmil](/molmil-images/mine/6rpq) | Crystal structure of PhoCDC21-1 intein | Descriptor: | Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein | Authors: | Beyer, H.M, Mikula, K.M, Iwai, H. | Deposit date: | 2019-05-14 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.654 Å) | Cite: | Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site. Extremophiles, 23, 2019
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6PW8
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![BU of 6pw8 by Molmil](/molmil-images/mine/6pw8) | |
8G8F
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![BU of 8g8f by Molmil](/molmil-images/mine/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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7LM4
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![BU of 7lm4 by Molmil](/molmil-images/mine/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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8G9B
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![BU of 8g9b by Molmil](/molmil-images/mine/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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9EM1
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![BU of 9em1 by Molmil](/molmil-images/mine/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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7TEH
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![BU of 7teh by Molmil](/molmil-images/mine/7teh) | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-05 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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7TDU
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![BU of 7tdu by Molmil](/molmil-images/mine/7tdu) | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-03 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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6XR3
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8A1H
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![BU of 8a1h by Molmil](/molmil-images/mine/8a1h) | Bacterial 6-4 photolyase from Vibrio cholerase | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-4 photolyase (FeS-BCP, ... | Authors: | Essen, L.-O, Emmerich, H.J. | Deposit date: | 2022-06-01 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Functional Analysis of a Prokaryotic (6-4) Photolyase from the Aquatic Pathogen Vibrio Cholerae † . Photochem.Photobiol., 99, 2023
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7ZIE
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8A8L
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![BU of 8a8l by Molmil](/molmil-images/mine/8a8l) | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment | Descriptor: | 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ... | Authors: | Snee, M, Katariya, M, Levy, C. | Deposit date: | 2022-06-23 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment To Be Published
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8A6W
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7ZJU
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![BU of 7zju by Molmil](/molmil-images/mine/7zju) | |
5WO1
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![BU of 5wo1 by Molmil](/molmil-images/mine/5wo1) | Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled) | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ... | Authors: | Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A. | Deposit date: | 2017-08-01 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
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5WO2
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![BU of 5wo2 by Molmil](/molmil-images/mine/5wo2) | Chaperone Spy bound to Casein Fragment (Casein un-modeled) | Descriptor: | CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ... | Authors: | Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A. | Deposit date: | 2017-08-01 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
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5WO3
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![BU of 5wo3 by Molmil](/molmil-images/mine/5wo3) | Chaperone Spy bound to Im7 (Im7 un-modeled) | Descriptor: | CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ... | Authors: | Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A. | Deposit date: | 2017-08-01 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
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7C7J
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7C7I
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6ZNW
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![BU of 6znw by Molmil](/molmil-images/mine/6znw) | |
7BBM
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![BU of 7bbm by Molmil](/molmil-images/mine/7bbm) | Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX | Descriptor: | 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260 | Authors: | Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G. | Deposit date: | 2020-12-18 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Chemogenetic engineering of nitrobindin toward an artificial epoxygenase Catalysis Science And Technology, 2021
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5JJ1
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5JJ3
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6TYF
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![BU of 6tyf by Molmil](/molmil-images/mine/6tyf) | Crystal structure of MTB sigma L transcription initiation complex with 6 nt long RNA primer | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Molodtsov, V, Ebright, R.H. | Deposit date: | 2019-08-08 | Release date: | 2020-03-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription. Proc.Natl.Acad.Sci.USA, 117, 2020
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