1ENT
 
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6ZFN
 | | Structure of an inactive E404Q variant of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with 1-methyl alpha-1,2-mannobiose | | Descriptor: | Glycoprotein endo-alpha-1,2-mannosidase, SULFATE ION, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | | Authors: | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | | Deposit date: | 2020-06-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1EWS
 | | THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE RABBIT KIDNEY DEFENSIN, RK-1 | | Descriptor: | RK-1 DEFENSIN | | Authors: | McManus, A.M, Dawson, N.F, Wade, J.D, Craik, D.J. | | Deposit date: | 2000-04-26 | | Release date: | 2001-05-02 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of RK-1: a novel alpha-defensin peptide.
Biochemistry, 39, 2000
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7C7N
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1EC2
 | | HIV-1 protease in complex with the inhibitor BEA428 | | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE] | | Authors: | Unge, T. | | Deposit date: | 2000-01-25 | | Release date: | 2002-06-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
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8GXQ
 | | PIC-Mediator in complex with +1 nucleosome (T40N) in MH-binding state | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X, Xu, Y. | | Deposit date: | 2022-09-21 | | Release date: | 2022-11-02 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (5.04 Å) | | Cite: | Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
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8GXS
 | | PIC-Mediator in complex with +1 nucleosome (T40N) in H-binding state | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X. | | Deposit date: | 2022-09-21 | | Release date: | 2022-11-02 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.16 Å) | | Cite: | Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
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6TZ6
 | | Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | | Descriptor: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | | Authors: | Fox III, D, Lukacs, C.M. | | Deposit date: | 2019-08-10 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
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1EBW
 | | HIV-1 protease in complex with the inhibitor BEA322 | | Descriptor: | HIV-1 PROTEASE, N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE] | | Authors: | Unge, T. | | Deposit date: | 2000-01-25 | | Release date: | 2002-06-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
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7YKO
 | | Crystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in complex with pentane-1,5-diol | | Descriptor: | Triacylglycerol lipase, pentane-1,5-diol | | Authors: | Han, X, Jian, G, Bornscheuer, U.T, Wei, R, Liu, W. | | Deposit date: | 2022-07-23 | | Release date: | 2023-07-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in complex with pentane-1,5-diol
To Be Published
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7N94
 | | LINE-1 endonuclease domain complex with DNA | | Descriptor: | DNA (5'-D(*AP*GP*CP*CP*CP*TP*TP*AP*AP*AP*AP*AP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*TP*CP*CP*TP*TP*TP*TP*TP*AP*AP*GP*GP*GP*CP*TP*A)-3'), LINE-1 retrotransposable element ORF2 protein | | Authors: | Korolev, S, Miller, I. | | Deposit date: | 2021-06-16 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease.
Nucleic Acids Res., 49, 2021
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8EJL
 | | Structure of HIV-1 capsid declination in complex with CPSF6-FG peptide | | Descriptor: | Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein | | Authors: | Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T, dos Santos, N.F.B. | | Deposit date: | 2022-09-17 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
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6XFV
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST | | Descriptor: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma | | Authors: | Sack, J.S. | | Deposit date: | 2020-06-16 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 30, 2020
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8BSL
 | | Human GLS in complex with compound 12 | | Descriptor: | Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
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1ENX
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1EYI
 | | FRUCTOSE-1,6-BISPHOSPHATASE COMPLEX WITH MAGNESIUM, FRUCTOSE-6-PHOSPHATE AND PHOSPHATE (R-STATE) | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE-1,6-BISPHOSPHATASE, MAGNESIUM ION, ... | | Authors: | Choe, J, Honzatko, R.B. | | Deposit date: | 2000-05-06 | | Release date: | 2000-08-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal structures of fructose 1,6-bisphosphatase: mechanism of catalysis and allosteric inhibition revealed in product complexes.
Biochemistry, 39, 2000
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8J6N
 | | Crystal structure of Cystathionine gamma-lyase in complex with compound 1 | | Descriptor: | 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ... | | Authors: | Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K. | | Deposit date: | 2023-04-26 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
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8SXU
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5JRS
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8URJ
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8PXN
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) | | Descriptor: | (1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2023-07-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8EHH
 | | Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S. | | Deposit date: | 2022-09-14 | | Release date: | 2023-09-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution.
Antimicrob.Agents Chemother., 68, 2024
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8ELI
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5I8C
 | | Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab | | Descriptor: | HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain | | Authors: | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | | Deposit date: | 2016-02-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
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7RDK
 | | Crystal structure of PCDN-16B, an anti-HIV antibody from the PCDN bnAb lineage (cysteinylated state) | | Descriptor: | 1,2-ETHANEDIOL, CYSTEINE, GLYCEROL, ... | | Authors: | Omorodion, O, Wilson, I.A. | | Deposit date: | 2021-07-09 | | Release date: | 2021-11-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural and Biochemical Characterization of Cysteinylation in Broadly Neutralizing Antibodies to HIV-1.
J.Mol.Biol., 433, 2021
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