8SD5
 
 | | Crystal structure of HPPK from Methanocaldococcus jannaschii | | Descriptor: | 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, SULFATE ION | | Authors: | Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2023-04-06 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Crystal structure of HPPK from Methanocaldococcus jannaschii
To be published
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7QRT
 | | Structural insight into the Scribble PDZ domains interaction with the oncogenic Human T-cell lymphotrophic virus-1 (HTLV-1) Tax1 | | Descriptor: | CHLORIDE ION, Protein Tax-1, Protein scribble homolog, ... | | Authors: | Javorsky, A, Soares da Costa, T.P, Mackie, E.R, Humbert, P.O, Kvansakul, M, Maddumage, J.C. | | Deposit date: | 2022-01-12 | | Release date: | 2022-09-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insight into the Scribble PDZ domains interaction with the oncogenic Human T-cell lymphotrophic virus-1 (HTLV-1) Tax1 PBM.
Febs J., 290, 2023
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6L5U
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7ZTA
 | | Structure of an Escherichia coli 70S ribosome stalled by Tetracenomycin X during translation of an MAAAPQK(C) peptide | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Leroy, E.C, Perry, T.N, Renault, T.T, Innis, C.A. | | Deposit date: | 2022-05-09 | | Release date: | 2023-04-12 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Tetracenomycin X sequesters peptidyl-tRNA during translation of QK motifs.
Nat.Chem.Biol., 19, 2023
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7LE3
 | | HIV-1 Protease WT (NL4-3) in Complex with UMass5 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LE4
 | | HIV-1 Protease WT (NL4-3) in Complex with UMass7 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LEC
 | | HIV-1 Protease WT (NL4-3) in Complex with PU3 (LR3-69) | | Descriptor: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LEG
 | | HIV-1 Protease WT (NL4-3) in Complex with PU8 (LR4-06) | | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LE7
 | | HIV-1 Protease WT (NL4-3) in Complex with GS-8374 | | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LED
 | | HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78) | | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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6RCM
 | | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 | | Descriptor: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | | Deposit date: | 2019-04-11 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation.
Eur.J.Med.Chem., 195, 2020
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6DZO
 | | Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2018-07-05 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (F9F) at the alpha-site, Cesium ion at the metal coordination site, and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site
To be Published
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7LEB
 | | HIV-1 Protease WT (NL4-3) in Complex with PU2 (LR2-79) | | Descriptor: | Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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7LEH
 | | HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80) | | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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5LF2
 | | Crystal structure of laminin beta2 LE5-LF-LE6 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Laminin subunit beta-2 | | Authors: | Pulido, D, Hohenester, E. | | Deposit date: | 2016-06-30 | | Release date: | 2016-07-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic analysis of the laminin beta 2 short arm reveals how the LF domain is inserted into a regular array of LE domains.
Matrix Biol., 57-58, 2017
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7QUC
 | | D. melanogaster alpha/beta tubulin heterodimer in the GDP form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | | Deposit date: | 2022-01-17 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
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5LKD
 | | Crystal structure of the Xi glutathione transferase ECM4 from Saccharomyces cerevisiae in complex with glutathione | | Descriptor: | GLUTATHIONE, Glutathione S-transferase omega-like 2 | | Authors: | Schwartz, M, Didierjean, C, Hecker, A, Girardet, J.M, Morel-Rouhier, M, Gelhaye, E, Favier, F. | | Deposit date: | 2016-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of Saccharomyces cerevisiae ECM4, a Xi-Class Glutathione Transferase that Reacts with Glutathionyl-(hydro)quinones.
Plos One, 11, 2016
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8D43
 | | Cryo-EM structure of human Kidney Glucosidase II | | Descriptor: | CALCIUM ION, Glucosidase 2 subunit beta, Neutral alpha-glucosidase AB, ... | | Authors: | Lyu, M, Yu, E.W. | | Deposit date: | 2022-06-01 | | Release date: | 2022-11-16 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Cryo-EM structure of human Kidney Glucosidase II
To Be Published
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7LW1
 | | Human phosphofructokinase-1 liver type bound to activator NA-11 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Lynch, E.M, Kollman, J.M, Webb, B. | | Deposit date: | 2021-02-27 | | Release date: | 2022-01-26 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Selective activation of PFKL suppresses the phagocytic oxidative burst.
Cell, 184, 2021
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5ZYF
 | | Crystal structure of Streptococcus pyogenes type II-A Cas2 | | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endoribonuclease Cas2, SULFATE ION | | Authors: | Ka, D, Bae, E. | | Deposit date: | 2018-05-24 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Molecular organization of the type II-A CRISPR adaptation module and its interaction with Cas9 via Csn2
Nucleic Acids Res., 46, 2018
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6X3A
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7QUD
 | | D. melanogaster alpha/beta tubulin heterodimer in the GTP form | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Tubulin alpha-1 chain, ... | | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | | Deposit date: | 2022-01-17 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics.
Sci Adv, 9, 2023
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5LMX
 | | Monomeric RNA polymerase I at 4.9 A resolution | | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | | Authors: | Torreira, E, Louro, J.A, Gil-Carton, D, Gallego, O, Calvo, O, Fernandez-Tornero, C. | | Deposit date: | 2016-08-02 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | The dynamic assembly of distinct RNA polymerase I complexes modulates rDNA transcription.
Elife, 6, 2017
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6X39
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6X38
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