7OXZ
| VDR complex with a side-chain hydroxylated derivative of lithocholic acid | Descriptor: | (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2021-06-23 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR). Bioorg.Chem., 115, 2021
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7QCD
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8FFX
| Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase/ribonuclease H, ... | Authors: | Rumrill, S.R, Ruiz, F.X, Arnold, E. | Deposit date: | 2022-12-10 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach. Molecules, 28, 2023
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6OF6
| Crystal structure of tRNA^ Ala(GGC) bound to cognate 70S A-site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Nguyen, H.A, Sunita, S, Dunham, C.M. | Deposit date: | 2019-03-28 | Release date: | 2020-06-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Disruption of evolutionarily correlated tRNA elements impairs accurate decoding. Proc.Natl.Acad.Sci.USA, 117, 2020
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5J36
| Crystal structure of 60-mer BFDV Capsid Protein | Descriptor: | Beak and feather disease virus capsid protein, PHOSPHATE ION | Authors: | Sarker, S, Raidal, S, Aragao, D, Forwood, J.K. | Deposit date: | 2016-03-30 | Release date: | 2016-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural insights into the assembly and regulation of distinct viral capsid complexes. Nat Commun, 7, 2016
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4EH7
| Human p38 MAP kinase in complex with NP-F6 and RL87 | Descriptor: | (3-phenoxyphenyl)methanol, Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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4EM9
| Human PPAR gamma in complex with nonanoic acids | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | Authors: | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | Deposit date: | 2012-04-11 | Release date: | 2013-03-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists Plos One, 7, 2012
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8PQL
| K48-linked ubiquitin chain formation with a cullin-RING E3 ligase and Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2-donor UB-acceptor UB-SIL1 peptide | Descriptor: | 5-azanylpentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ... | Authors: | Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A. | Deposit date: | 2023-07-11 | Release date: | 2024-02-14 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Mechanism of millisecond Lys48-linked poly-ubiquitin chain formation by cullin-RING ligases. Nat.Struct.Mol.Biol., 31, 2024
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7T7N
| Structure of SPCC1393.13 protein from fission yeast | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Damage-control phosphatase SPCC1393.13, PHOSPHATE ION | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | Deposit date: | 2021-12-15 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate. J.Biol.Chem., 298, 2022
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7T7O
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7T7K
| Structure of SPAC806.04c protein from fission yeast bound to Co2+ | Descriptor: | CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ... | Authors: | Jacewicz, A, Sanchez, A.M, Shuman, S. | Deposit date: | 2021-12-15 | Release date: | 2022-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate. J.Biol.Chem., 298, 2022
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8FCN
| Cryo-EM structure of p97:UBXD1 VIM-only state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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7TBK
| Composite structure of the dilated human nuclear pore complex (NPC) symmetric core generated with a 37A in situ cryo-ET map of CD4+ T cell NPC | Descriptor: | NUP107 CTD, NUP107 NTD, NUP133, ... | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-12-22 | Release date: | 2022-06-15 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (37 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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7TBI
| Composite structure of the S. cerevisiae nuclear pore complex (NPC) | Descriptor: | Dyn2, Nic96 R1, Nic96 R2, ... | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-12-22 | Release date: | 2022-06-15 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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7TBJ
| Composite structure of the human nuclear pore complex (NPC) symmetric core generated with a 12A cryo-ET map of the purified HeLa cell NPC | Descriptor: | NUP107 CTD, NUP107 NTD, NUP133, ... | Authors: | Petrovic, S, Samanta, D, Perriches, T, Bley, C.J, Thierbach, K, Brown, B, Nie, S, Mobbs, G.W, Stevens, T.A, Liu, X, Tomaleri, G.P, Schaus, L, Hoelz, A. | Deposit date: | 2021-12-22 | Release date: | 2022-06-22 | Last modified: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (23 Å) | Cite: | Architecture of the linker-scaffold in the nuclear pore. Science, 376, 2022
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4EH4
| Human p38 MAP kinase in complex with NP-F3 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, phenyl(piperidin-1-yl)methanone | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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5J09
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3BQO
| Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex | Descriptor: | TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 1 | Authors: | Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M. | Deposit date: | 2007-12-20 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins. Science, 319, 2008
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7T3V
| Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, M17 leucyl aminopeptidase, ... | Authors: | Webb, C.T, McGowan, S. | Deposit date: | 2021-12-08 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase. J.Biol.Chem., 298, 2022
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8FE8
| Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | Authors: | Rumrill, S, Ruiz, F.X, Arnold, E. | Deposit date: | 2022-12-05 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors. Commun Chem, 6, 2023
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7SRV
| Metal dependent activation of Plasmodium falciparum M17 aminopeptidase (inactive form), spacegroup P22121 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Webb, C.T, McGowan, S. | Deposit date: | 2021-11-08 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase. J.Biol.Chem., 298, 2022
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7T3F
| Development of BRD4 inhibitors as arsenicals antidotes | Descriptor: | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, GLYCEROL | Authors: | Wu, M, Yatchang, M, Mathew, B, Zhai, L, Ruiz, P, Bostwick, R, Augelli-Szafran, C.E, Suto, M.J. | Deposit date: | 2021-12-07 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Development of BRD4 inhibitors as anti-inflammatory agents and antidotes for arsenicals. Bioorg.Med.Chem.Lett., 64, 2022
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4EH8
| Human p38 MAP kinase in complex with NP-F7 and RL87 | Descriptor: | Mitogen-activated protein kinase 14, N~4~-cyclopropyl-2-phenylquinazoline-4,7-diamine, [3-(benzyloxy)phenyl]methanol | Authors: | Over, B, Gruetter, C, Waldmann, H, Rauh, D. | Deposit date: | 2012-04-02 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Natural-product-derived fragments for fragment-based ligand discovery. Nat Chem, 5, 2012
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8PKB
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5K14
| HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog | Descriptor: | 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile, HIV-1 reverse transcriptase (isolate LW123), HIV-1 reverse transcriptase(isolate HXB2) | Authors: | Lansdon, E.B. | Deposit date: | 2016-05-17 | Release date: | 2016-06-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1. Eur.J.Med.Chem., 122, 2016
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