8JND
 
 | | The cryo-EM structure of the nonameric RAD51 ring bound to the nucleosome with the linker DNA binding | | Descriptor: | DNA (153-MER), DNA (156-MER), DNA repair protein RAD51 homolog 1, ... | | Authors: | Shioi, T, Hatazawa, S, Ogasawara, M, Takizawa, Y, Kurumizaka, H. | | Deposit date: | 2023-06-06 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Cryo-EM structures of RAD51 assembled on nucleosomes containing a DSB site.
Nature, 628, 2024
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1UA4
 | | Crystal Structure of an ADP-dependent Glucokinase from Pyrococcus furiosus | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP-dependent glucokinase, alpha-D-glucopyranose, ... | | Authors: | Ito, S, Jeong, J.J, Yoshioka, I, Koga, S, Fushinobu, S, Shoun, H, Wakagi, T. | | Deposit date: | 2003-02-27 | | Release date: | 2004-02-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an ADP-dependent glucokinase from Pyrococcus furiosus: implications for a sugar-induced conformational change in ADP-dependent kinase
J.Mol.Biol., 331, 2003
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7KBQ
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6ZBI
 | | Ternary complex of Calmodulin bound to 2 molecules of NHE1 | | Descriptor: | CALCIUM ION, Calmodulin-1, Sodium/hydrogen exchanger 1 | | Authors: | Prestel, A, Kragelund, B.B, Pedersen, E.S, Pedersen, S.F, Sjoegaard-Frich, L.M. | | Deposit date: | 2020-06-08 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dynamic Na + /H + exchanger 1 (NHE1) - calmodulin complexes of varying stoichiometry and structure regulate Ca 2+ -dependent NHE1 activation.
Elife, 10, 2021
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1EEK
 | | SOLUTION STRUCTURE OF A NONPOLAR, NON HYDROGEN BONDED BASE PAIR SURROGATE IN DNA. | | Descriptor: | 5'-D(*CP*GP*CP*AP*TP*(DFT)P*GP*TP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*AP*CP*(MBZ)P*AP*TP*GP*CP*G)-3' | | Authors: | Kool, E.T, Krugh, T.R, Guckian, K.M. | | Deposit date: | 2000-02-01 | | Release date: | 2000-02-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Nonpolar, Non-Hydrogen-Bonded Base Pair Surrogate in DNA
J.Am.Chem.Soc., 122, 2000
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8FTC
 | | Crystal structure of main protease of SARS-CoV-2 complexed with inhibitor | | Descriptor: | (1R,2S,5S)-3-[N-(difluoroacetyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Chen, P, Khan, M.B, Lu, J, Arutyunova, E, Young, H.S, Lemieux, M.J. | | Deposit date: | 2023-01-11 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Effect of Deuteration and Homologation of the Lactam Ring of Nirmatrelvir on Its Biochemical Properties and Oxidative Metabolism.
Acs Bio Med Chem Au, 3, 2023
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2VVL
 | | The structure of MAO-N-D3, a variant of monoamine oxidase from Aspergillus niger. | | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N | | Authors: | Atkin, K.E, Hart, S, Turkenburg, J.P, Brzozowski, A.M, Grogan, G.J. | | Deposit date: | 2008-06-10 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution.
J.Mol.Biol., 384, 2008
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2VSU
 | | A ternary complex of Hydroxycinnamoyl-CoA Hydratase-Lyase (HCHL) with acetyl-Coenzyme A and vanillin gives insights into substrate specificity and mechanism. | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, ACETYL COENZYME *A, P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | | Authors: | Bennett, J.P, Bertin, L.M, Brzozowski, A.M, Walton, N.J, Grogan, G. | | Deposit date: | 2008-04-29 | | Release date: | 2008-05-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Ternary Complex of Hydroxycinnamoyl-Coa Hydratase-Lyase (Hchl) with Acetyl-Coa and Vanillin Gives Insights Into Substrate Specificity and Mechanism.
Biochem.J., 414, 2008
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2VSS
 | | Wild-type Hydroxycinnamoyl-CoA hydratase lyase in complex with acetyl- CoA and vanillin | | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, ACETYL COENZYME *A, P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | | Authors: | Bennett, J.P, Bertin, L.M, Brzozowski, A.M, Walton, N.J, Grogan, G. | | Deposit date: | 2008-04-29 | | Release date: | 2008-05-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | A Ternary Complex of Hydroxycinnamoyl-Coa Hydratase-Lyase (Hchl) with Acetyl-Coa and Vanillin Gives Insights Into Substrate Specificity and Mechanism.
Biochem.J., 414, 2008
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2VT2
 | | Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX | | Authors: | Wang, E, Bauer, M.C, Rogstam, A, Linse, S, Logan, D.T, von Wachenfeldt, C. | | Deposit date: | 2008-05-08 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and functional properties of the Bacillus subtilis transcriptional repressor Rex.
Mol. Microbiol., 69, 2008
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7LII
 | | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S7D | | Descriptor: | Maritimacin, RIBOFLAVIN | | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | | Deposit date: | 2021-01-27 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
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7LIL
 | | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant SE3 | | Descriptor: | Maritimacin, RIBOFLAVIN | | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | | Deposit date: | 2021-01-27 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
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7LIJ
 | | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S1K | | Descriptor: | Maritimacin, RIBOFLAVIN | | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | | Deposit date: | 2021-01-27 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
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7LIK
 | | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S1R | | Descriptor: | Maritimacin, RIBOFLAVIN | | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | | Deposit date: | 2021-01-27 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
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4USR
 | | Structure of flavin-containing monooxygenase from Pseudomonas stutzeri NF13 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MONOOXYGENASE | | Authors: | Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G. | | Deposit date: | 2014-07-11 | | Release date: | 2014-10-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Exploring Nicotinamide Cofactor Promiscuity in Nad(P)H-Dependent Flavin Containing Monooxygenases (Fmos) Using Natural Variation within the Phosphate Binding Loop. Structure and Activity of Fmos from Cellvibrio Sp. Br and Pseudomonas Stutzeri NF13
J.Mol.Catal., 109, 2014
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7LIM
 | | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S6E | | Descriptor: | Maritimacin, RIBOFLAVIN | | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | | Deposit date: | 2021-01-27 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
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7LIS
 | | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S5D | | Descriptor: | Maritimacin, RIBOFLAVIN | | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | | Deposit date: | 2021-01-27 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
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7LIT
 | | Thermotoga maritima Encapsulin Nanocompartment Pore Mutant S7G | | Descriptor: | Maritimacin, RIBOFLAVIN | | Authors: | Andreas, M.P, Adamson, L, Tasneem, N, Close, W, Giessen, T, Lau, Y.H. | | Deposit date: | 2021-01-27 | | Release date: | 2022-02-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Pore structure controls stability and molecular flux in engineered protein cages.
Sci Adv, 8, 2022
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8BK1
 | | Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, M206S, A213P, D238G, I240L | | Descriptor: | Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, ... | | Authors: | Gilio, A.K, Grogan, G.J. | | Deposit date: | 2022-11-08 | | Release date: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023
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6OGP
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-063 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, 1,2-ETHANEDIOL, Protease | | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2019-04-03 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
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6OGT
 | | X-ray crystal structure of darunavir-resistant HIV-1 protease (P51) in complex with GRL-001 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate, 1,2-ETHANEDIOL, GLYCEROL, ... | | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2019-04-03 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
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8OZV
 | | Imine Reductase from Ajellomyces dermatitidis in complex with 2,2-difluoroacetophenone | | Descriptor: | 2,2-bis(fluoranyl)-1-phenyl-ethanone, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase | | Authors: | Sharma, M, Grogan, G. | | Deposit date: | 2023-05-09 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms.
Acta Crystallogr.,Sect.F, 79, 2023
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8P23
 | | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its dimeric, ATP/CTP-bound state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, CYTIDINE-5'-TRIPHOSPHATE, ... | | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | | Deposit date: | 2023-05-14 | | Release date: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site
Elife, 2023
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8P2J
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8P28
 | | Cryo-EM structure of the anaerobic ribonucleotide reductase from Prevotella copri in its tetrameric, dATP-bound state | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Anaerobic ribonucleoside-triphosphate reductase, MAGNESIUM ION | | Authors: | Banerjee, I, Bimai, O, Sjoberg, B.M, Logan, D.T. | | Deposit date: | 2023-05-15 | | Release date: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Activity modulation in anaerobic ribonucleotide reductase: nucleotide binding to the ATP-cone mediates long-range order-disorder transitions in the active site
To Be Published
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