6YRC
 
 | | Spectroscopically-validated structure of DtpB from Streptomyces lividans in the ferric state | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | | Deposit date: | 2020-04-20 | | Release date: | 2021-01-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8F1A
 | | Apo KIF20A[1-565] class-1 in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
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8F18
 | | Apo KIF20A[1-565] class-2 in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF20A, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Crozet, V, Ranaivoson, F.M, Houdusse, A, Sosa, H. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6.
Open Biology, 13, 2023
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8EKR
 | | Apo rat TRPV2 in nanodiscs, state 3 | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2 | | Authors: | Pumroy, R.A, Moiseenkova-Bell, V.Y. | | Deposit date: | 2022-09-21 | | Release date: | 2023-09-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Functional and structural insights into activation of TRPV2 by weak acids.
Embo J., 43, 2024
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8EKS
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6MVD
 | | Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in complex with isopropyl dodec-11-enylfluorophosphonate (IDFP) and a small molecule activator | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-{4-[(4R)-4-hydroxy-6-oxo-4-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl}-4-(trifluoromethyl)pyridine-3-carbonitrile, NICKEL (II) ION, ... | | Authors: | Manthei, K.A, Chang, L, Tesmer, J.J.G. | | Deposit date: | 2018-10-25 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Molecular basis for activation of lecithin:cholesterol acyltransferase by a compound that increases HDL cholesterol.
Elife, 7, 2018
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8C14
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | Descriptor: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | Authors: | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent
To Be Published
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6MVO
 | | HCV NS5B 1A Y316 bound to Compound 49 | | Descriptor: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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8F0I
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8EKP
 | | Apo rat TRPV2 in nanodiscs, state 1 | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2 | | Authors: | Pumroy, R.A, Moiseenkova-Bell, V.Y. | | Deposit date: | 2022-09-21 | | Release date: | 2023-09-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Functional and structural insights into activation of TRPV2 by weak acids.
Embo J., 43, 2024
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7AYA
 | | Crystal structure of CK2 bound by compound 9 | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Ferguson, A, Collie, G.W. | | Deposit date: | 2020-11-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics.
To Be Published
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8EKQ
 | | Apo rat TRPV2 in nanodiscs, state 2 | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2 | | Authors: | Pumroy, R.A, Moiseenkova-Bell, V.Y. | | Deposit date: | 2022-09-21 | | Release date: | 2023-09-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Functional and structural insights into activation of TRPV2 by weak acids.
Embo J., 43, 2024
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6MV0
 | | CO-bound Sperm Whale Myoglobin, room temperature structure solved by serial 5degree oscillation crystallography | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-24 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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6MXF
 | | MicroED structure of thiostrepton at 1.9 A resolution | | Descriptor: | Thiostrepton | | Authors: | Jones, C.G, Martynowycz, M.W, Hattne, J, Fulton, T, Stoltz, B.M, Rodriguez, J.A, Nelson, H.M, Gonen, T. | | Deposit date: | 2018-10-30 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-15 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.91 Å) | | Cite: | The CryoEM Method MicroED as a Powerful Tool for Small Molecule Structure Determination.
ACS Cent Sci, 4, 2018
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7B4T
 | | Broadly neutralizing DARPin bnD.1 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | Broadly neutralizing DARPin bnD.1, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), SULFATE ION | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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7B4U
 | | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | Broadly neutralizing DARPin bnD.2, CALCIUM ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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7B4V
 | | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | Broadly neutralizing DARPin bnD.2, CHLORIDE ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), ... | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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6MYJ
 | | Pleurotus ostreatus OstreolysinA plus sphingomyelin | | Descriptor: | 1,2-ETHANEDIOL, N-[(2S)-1-hydroxypropan-2-yl]butanamide, Ostreolysin A6, ... | | Authors: | Tomchick, D.R, Radhakrishnan, A, Endapally, S. | | Deposit date: | 2018-11-01 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Molecular Discrimination between Two Conformations of Sphingomyelin in Plasma Membranes.
Cell, 176, 2019
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5JUT
 | | Saccharomyces cerevisiae 80S ribosome bound with elongation factor eEF2-GDP-sordarin and Taura Syndrome Virus IRES, Structure IV (almost non-rotated 40S subunit) | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 5.8S ribosomal RNA, ... | | Authors: | Abeyrathne, P, Koh, C.S, Grant, T, Grigorieff, N, Korostelev, A.A. | | Deposit date: | 2016-05-10 | | Release date: | 2016-10-05 | | Last modified: | 2019-11-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Ensemble cryo-EM uncovers inchworm-like translocation of a viral IRES through the ribosome.
Elife, 5, 2016
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6P9E
 | | Crystal structure of IL-36gamma complexed to A-552 | | Descriptor: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | | Authors: | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | | Deposit date: | 2019-06-10 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
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7N2C
 | | Elongating 70S ribosome complex in a fusidic acid-stalled intermediate state of translocation bound to EF-G(GDP) (INT2) | | Descriptor: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | Authors: | Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C. | | Deposit date: | 2021-05-28 | | Release date: | 2021-07-14 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
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7N31
 | | Elongating 70S ribosome complex in a post-translocation (POST) conformation | | Descriptor: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | Authors: | Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C. | | Deposit date: | 2021-05-31 | | Release date: | 2021-07-14 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
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6MYD
 | | Structure of zebrafish TRAF6 in complex with STING CTT | | Descriptor: | STING CTT, Transmembrane protein 173, SULFATE ION, ... | | Authors: | de Oliveira Mann, C.C, Orzalli, M.H, King, D.S, Kagan, J.C, Lee, A.S.Y, Kranzusch, P.J. | | Deposit date: | 2018-11-01 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Modular Architecture of the STING C-Terminal Tail Allows Interferon and NF-kappa B Signaling Adaptation.
Cell Rep, 27, 2019
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7N2U
 | | Elongating 70S ribosome complex in a hybrid-H1 pre-translocation (PRE-H1) conformation | | Descriptor: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | | Authors: | Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C. | | Deposit date: | 2021-05-29 | | Release date: | 2021-07-14 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
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7QEP
 | | Cryo-EM structure of the ribosome from Encephalitozoon cuniculi | | Descriptor: | 18S ribosomal RNA, 40S RIBOSOMAL PROTEIN S10, 40S RIBOSOMAL PROTEIN S11, ... | | Authors: | Nicholson, D, Ranson, N.A, Melnikov, S.V. | | Deposit date: | 2021-12-03 | | Release date: | 2022-02-09 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Adaptation to genome decay in the structure of the smallest eukaryotic ribosome
Nat Commun, 13, 2022
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