5KYM
 
 | | Crystal Structure of the 1-acyl-sn-glycerophosphate (LPA) acyltransferase, PlsC, from Thermotoga maritima | | Descriptor: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, 1-acyl-sn-glycerol-3-phosphate acyltransferase, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Robertson, R.M, Yao, J, Gajewski, S, Kumar, G, Martin, E.W, Rock, C.O, White, S.W. | | Deposit date: | 2016-07-21 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A two-helix motif positions the lysophosphatidic acid acyltransferase active site for catalysis within the membrane bilayer.
Nat. Struct. Mol. Biol., 24, 2017
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5KM3
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5KR1
 | | Protease PR5-DRV | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease PR5-DRV | | Authors: | Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
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5LBA
 | | Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening. | | Descriptor: | 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ... | | Authors: | Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-15 | | Release date: | 2016-07-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
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6UKG
 | | HhaI endonuclease in Complex With DNA in space group P21 (pH 4.2) | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2019-10-04 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
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9Q35
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9PYR
 | | Importin alpha 2 in complex with Haliotid herpesvirus 1 large tegument protein NLS region | | Descriptor: | GLU-THR-LYS-LYS-ARG-ARG-ARG-ILE, Importin subunit alpha-1 | | Authors: | Nath, B.K, Swarbrick, C.M.D, Forwood, J.K, Sarker, S. | | Deposit date: | 2025-08-08 | | Release date: | 2025-10-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Insights into the Nuclear Import of Haliotid Herpesvirus 1 Large Tegument Protein Homologue.
Viruses, 17, 2025
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7TFP
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid. | | Descriptor: | (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | Authors: | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | Deposit date: | 2022-01-06 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
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9MXT
 | | Cryo-EM Structure of HIV-1 Reverse Transcriptase p66 tetramer in Complex with 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile (JLJ648), a Non-nucleoside Inhibitor | | Descriptor: | 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H | | Authors: | Hollander, K, Devarkar, S.C, Tang, S, Ma, S, Xiong, Y, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2025-01-20 | | Release date: | 2025-09-10 | | Last modified: | 2025-09-17 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Mechanistic basis for a novel dual-function Gag-Pol dimerizer potentiating CARD8 inflammasome activation and clearance of HIV-infected cells.
Npj Drug Discov, 2, 2025
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9OGD
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9PGV
 | | HIV Capsid Hexamer bound to Compound 24 | | Descriptor: | HIV-1 capsid, N-methyl-N-phenyl-3-(pyridin-3-yl)-N~2~-{[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}-L-alaninamide | | Authors: | Somoza, J.R, Anderson, R.L, Villasenor, A.G, Ferrao, R.D. | | Deposit date: | 2025-07-08 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Lenacapavir: First-in-Class Twice-Yearly Capsid Inhibitor for HIV-1 Treatment and Pre-exposure Prophylaxis.
J.Med.Chem., 68, 2025
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9OGC
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7TED
 | | Human Ornithine Aminotransferase cocrystallized with its inhibitor, (S,E)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate | | Descriptor: | (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | Authors: | Butrin, A, Zhu, W, Silverman, R, Liu, D. | | Deposit date: | 2022-01-04 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
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9PGT
 | | HIV Capsid Hexamer bound to Compound 12 | | Descriptor: | HIV-1 capsid, N-[(1S)-1-[3-(4-chlorophenyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide | | Authors: | Somoza, J.R, Anderson, R.L, Villasenor, A.G, Ferrao, R.D. | | Deposit date: | 2025-07-08 | | Release date: | 2025-10-08 | | Last modified: | 2025-10-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Lenacapavir: First-in-Class Twice-Yearly Capsid Inhibitor for HIV-1 Treatment and Pre-exposure Prophylaxis.
J.Med.Chem., 68, 2025
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9MXS
 | | Cryo-EM Structure of HIV-1 Reverse Transcriptase p66 Homodimer in Complex with 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy] phenoxy}naphthalene-2-carbonitrile, a Non-nucleoside Inhibitor, with an Additional Pocket of Density | | Descriptor: | 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H | | Authors: | Hollander, K, Devarkar, S.C, Tang, S, Ma, S, Xiong, Y, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2025-01-20 | | Release date: | 2025-09-10 | | Last modified: | 2025-09-17 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Mechanistic basis for a novel dual-function Gag-Pol dimerizer potentiating CARD8 inflammasome activation and clearance of HIV-infected cells.
Npj Drug Discov, 2, 2025
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9MXR
 | | Cryo-EM Structure of HIV-1 Reverse Transcriptase p66 Homodimer in Complex with 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy] phenoxy}naphthalene-2-carbonitrile (JLJ648), a Non-nucleoside Inhibitor | | Descriptor: | 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H | | Authors: | Hollander, K, Devarkar, S.C, Tang, S, Ma, S, Xiong, Y, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2025-01-20 | | Release date: | 2025-09-10 | | Last modified: | 2025-09-17 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Mechanistic basis for a novel dual-function Gag-Pol dimerizer potentiating CARD8 inflammasome activation and clearance of HIV-infected cells.
Npj Drug Discov, 2, 2025
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6MG7
 | | Crystal structure of the RV144 C1-C2 specific antibody CH54 Fab in complex with HIV-1 CLADE A/E GP120 and M48U1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CH54 Fab heavy chain, CH54 Fab light chain, ... | | Authors: | Van, V, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2018-09-13 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Recognition Patterns of the C1/C2 Epitopes Involved in Fc-Mediated Response in HIV-1 Natural Infection and the RV114 Vaccine Trial.
Mbio, 11, 2020
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9MSA
 | | Alpha-ketoisovalerate decarboxylase (Kivd) from Synechocystis sp. PCC 6803 with substitution S286T | | Descriptor: | 1,2-ETHANEDIOL, Alpha-ketoisovalerate decarboxylase, MAGNESIUM ION, ... | | Authors: | Begum, A, Xie, H, Gunn, L.H. | | Deposit date: | 2025-01-09 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Directed evolution of alpha-ketoisovalerate decarboxylase for improved isobutanol and 3-methyl-1-butanol production in cyanobacteria.
Biotechnol Biofuels Bioprod, 18, 2025
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9MXB
 | | Crystal Structure of WT HIV-1 Reverse Transcriptase in Complex with 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy] phenoxy}naphthalene-2-carbonitrile (JLJ648), a non-nucleoside inhibitor | | Descriptor: | 5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, CHLORIDE ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2025-01-17 | | Release date: | 2025-09-10 | | Last modified: | 2025-09-17 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Mechanistic basis for a novel dual-function Gag-Pol dimerizer potentiating CARD8 inflammasome activation and clearance of HIV-infected cells.
Npj Drug Discov, 2, 2025
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6VIF
 | | Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 | | Descriptor: | N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | Cato, M.L, Ortlund, E.A. | | Deposit date: | 2020-01-13 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
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5VT2
 | | Crystal structure of growth differentiation factor | | Descriptor: | 1,2-ETHANEDIOL, Growth/differentiation factor 15 | | Authors: | Min, X, Wang, Z. | | Deposit date: | 2017-05-15 | | Release date: | 2017-11-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys.
Sci Transl Med, 9, 2017
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6XQM
 | | Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with laminarihexaose, presenting a laminaribiose and a glucose at active site | | Descriptor: | CALCIUM ION, GH16 family protein, PHOSPHATE ION, ... | | Authors: | Liberato, M.V, Squina, F. | | Deposit date: | 2020-07-09 | | Release date: | 2021-02-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
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5VPE
 | | Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-I crystal | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ... | | Authors: | Yin, Z, Machius, M, Rudenko, G. | | Deposit date: | 2017-05-04 | | Release date: | 2017-09-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.053 Å) | | Cite: | Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
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6ZR8
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6MS4
 | | Crystal structure of the DENR-MCT-1 complex | | Descriptor: | Density-regulated protein, GLYCEROL, Malignant T-cell-amplified sequence 1, ... | | Authors: | Lomakin, I.B, Steitz, T.A, Dmitriev, S.E. | | Deposit date: | 2018-10-16 | | Release date: | 2019-01-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structure of the DENR-MCT-1 complex revealed zinc-binding site essential for heterodimer formation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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