8EF8
 
 | | Staphylococcus aureus ClpP Y63W in complex with compound 3471 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, ATP-dependent Clp protease proteolytic subunit | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2022-09-08 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Development of a high throughput and site specific, fluorescent polarization assay to screen for activators of Caseinolytic Protease P leads to the discovery of synthetically tractable new activator class
To Be Published
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8ETS
 | | Class1 of the INO80-Hexasome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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8STS
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-7-fluoro-2-naphthonitrile (JLJ636), a non-nucleoside inhibitor | | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-05-11 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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8STU
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)-4-fluorophenoxy)-6-fluoroindolizine-2-carbonitrile (JLJ578), a non-nucleoside inhibitor | | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-05-11 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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8ETU
 | | Class2 of the INO80-Hexasome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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8ETW
 | | Class3 of INO80-Hexasome complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ... | | Authors: | Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F. | | Deposit date: | 2022-10-17 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
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4LUH
 | | Complex of ovine serum albumin with 3,5-diiodosalicylic acid | | Descriptor: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, (2S)-2-hydroxybutanedioic acid, 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, ... | | Authors: | Bujacz, A, Talaj, J.A, Pietrzyk, A.J, Bujacz, G. | | Deposit date: | 2013-07-25 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of ovine serum albumin and its complex with 3,5-diiodosalicylic acid
To be Published
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8STV
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) variant in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600), a non-nucleoside inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, MAGNESIUM ION, ... | | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-05-11 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
Protein Sci., 32, 2023
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8EOH
 | | crystal structure of human Cytochrome P450 8B1 in complex with a C12-Pyridine Containing Steroid | | Descriptor: | 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Liu, J, Scott, E.E. | | Deposit date: | 2022-10-03 | | Release date: | 2023-08-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281.
J.Biol.Chem., 299, 2023
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6EFX
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6E8S
 | | Structure of the iMango-III aptamer bound to TO1-Biotin | | Descriptor: | 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-31 | | Release date: | 2019-04-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure and functional reselection of the Mango-III fluorogenic RNA aptamer.
Nat. Chem. Biol., 15, 2019
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6EGZ
 | | Crystal structure of cytochrome c in complex with di-PEGylated sulfonatocalix[4]arene | | Descriptor: | Cytochrome c iso-1, HEME C, SODIUM ION, ... | | Authors: | Mummidivarapu, V.V.S, Rennie, M.L, Crowley, P.B. | | Deposit date: | 2017-09-12 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof.
Bioconjug.Chem., 29, 2018
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8EIH
 | | Cryo-EM structure of human DNMT3B homo-tetramer (form I) | | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Lu, J.W, Song, J.K. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
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8SPE
 | | Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2023-05-03 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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8EII
 | | Cryo-EM structure of human DNMT3B homo-tetramer (form II) | | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Lu, J.W, Song, J.K. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
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6EHN
 | | Structural insight into a promiscuous CE15 esterase from the marine bacterial metagenome | | Descriptor: | Carbohydrate esterase MZ0003, GLYCEROL | | Authors: | Helland, R, De Santi, C, Gani, O, Williamson, A.K. | | Deposit date: | 2017-09-13 | | Release date: | 2018-03-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insight into a CE15 esterase from the marine bacterial metagenome.
Sci Rep, 7, 2017
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8SH2
 | | KLHDC2 in complex with EloB and EloC | | Descriptor: | Elongin-B, Elongin-C, Kelch domain-containing protein 2 | | Authors: | Digianantonio, K.M, Bekes, M. | | Deposit date: | 2023-04-13 | | Release date: | 2024-01-03 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Co-opting the E3 ligase KLHDC2 for targeted protein degradation by small molecules.
Nat.Struct.Mol.Biol., 31, 2024
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6E9K
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8EIK
 | | Cryo-EM structure of human DNMT3B homo-hexamer | | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Lu, J.W, Song, J.K. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
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8ENR
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7NL8
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6EJ5
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8SXQ
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7NHW
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8EKM
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