3ZT3
 
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | 1,2-ETHANEDIOL, 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
|
|
7TD2
 | | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-09 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
|
|
7TD3
 | | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-09 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
|
|
7TD1
 | | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-09 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
|
|
7TD4
 | | Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod | | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | Deposit date: | 2021-12-30 | | Release date: | 2022-02-09 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
|
|
7T1Y
 | | Structure of the Fbw7-Skp1-MycCdegron complex | | Descriptor: | F-box/WD repeat-containing protein 7, Myc proto-oncogene protein C terminal degron, S-phase kinase-associated protein 1, ... | | Authors: | Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N. | | Deposit date: | 2021-12-02 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
|
|
7T1Z
 | | Structure of the Fbw7-Skp1-MycNdegron complex | | Descriptor: | F-box/WD repeat-containing protein 7, Myc proto-oncogene N terminal degron, S-phase kinase-associated protein 1, ... | | Authors: | Wang, B, Rusnac, D.V, Clurman, B.E, Zheng, N. | | Deposit date: | 2021-12-02 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Two diphosphorylated degrons control c-Myc degradation by the Fbw7 tumor suppressor.
Sci Adv, 8, 2022
|
|
7TFM
 | | Atomic Structure of the Leishmania spp. Hsp100 N-Domain | | Descriptor: | ATP-dependent Clp protease subunit, heat shock protein 100 (HSP100), GLYCEROL | | Authors: | Mercado, J.M, Lee, S, Chang, C, Sung, N, Soong, L, Catic, A, Tsai, F.T.F. | | Deposit date: | 2022-01-06 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.055 Å) | | Cite: | Atomic structure of the Leishmania spp. Hsp100 N-domain.
Proteins, 90, 2022
|
|
8CK5
 | | VDR LBD complex with 25-nitro derivative of 1,25D3 | | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-nitro-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | | Authors: | Rochel, N. | | Deposit date: | 2023-02-14 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs.
Bioorg.Chem., 136, 2023
|
|
8CKC
 | | Vitamin D receptor complex with 25-amine derivative of 1,25D3 | | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ... | | Authors: | Rochel, N. | | Deposit date: | 2023-02-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs.
Bioorg.Chem., 136, 2023
|
|
3ZSZ
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | (R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM, ACETATE ION, CHLORIDE ION, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
|
|
8E59
 | | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone at 3.1 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
7TKZ
 | |
8E5B
 | | Human L-type voltage-gated calcium channel Cav1.3 in the presence of Amiodarone and Sofosbuvir at 3.3 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
7TRN
 | |
7TRO
 | | Crystal structure of R14A-R20A human Galectin-7 mutant in presence of lactose | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Galectin-7, ... | | Authors: | Pham, N.T.H, Calmettes, C, Doucet, N. | | Deposit date: | 2022-01-29 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of R14A-R20A human Galectin-7 mutant in presence of lactose
To Be Published
|
|
8E5A
 | | Human L-type voltage-gated calcium channel Cav1.3 treated with 1.4 mM Sofosbuvir at 3.3 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
8E57
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 100 microM MNI-1 at 2.8 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
8E56
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone at 2.8 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
8E58
 | | Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution | | Descriptor: | (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gao, S, Yao, X, Yan, N. | | Deposit date: | 2022-08-20 | | Release date: | 2022-12-07 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
|
|
3ZT1
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | (4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
|
|
8E0E
 | | nbF3:CaV beta subunit 2a complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Nirwan, N, Minor, D.L. | | Deposit date: | 2022-08-09 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective posttranslational inhibition of Ca V beta 1 -associated voltage-dependent calcium channels with a functionalized nanobody.
Nat Commun, 13, 2022
|
|
7TXF
 | |
8E34
 | | CryoEM structures of bAE1 captured in multiple states | | Descriptor: | Anion exchange protein | | Authors: | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | | Deposit date: | 2022-08-16 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
|
|
8CMJ
 | | Translocation intermediate 4 (TI-4*) of 80S S. cerevisiae ribosome with eEF2 in the absence of sordarin | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G. | | Deposit date: | 2023-02-20 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.79 Å) | | Cite: | mRNA reading frame maintenance during eukaryotic ribosome translocation.
Nature, 625, 2024
|
|
