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1ENT
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X-RAY ANALYSES OF ASPARTIC PROTEINASES. THE THREE-DIMENSIONAL STRUCTURE AT 2.1 ANGSTROMS RESOLUTION OF ENDOTHIAPEPSIN
分子名称: ENDOTHIAPEPSIN, N-(tert-butoxycarbonyl)-L-phenylalanyl-N-{(1S)-1-[(R)-hydroxy(2-{[(2S)-2-methylbutyl]amino}-2-oxoethyl)phosphoryl]-3-methylbutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION
著者Blundell, T.L, Dealwis, C.G.
登録日1992-03-11
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray analyses of aspartic proteinases. The three-dimensional structure at 2.1 A resolution of endothiapepsin.
J.Mol.Biol., 211, 1990
6ZFN
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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
分子名称: Glycoprotein endo-alpha-1,2-mannosidase, SULFATE ION, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside
著者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.
登録日2020-06-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target.
Proc.Natl.Acad.Sci.USA, 117, 2020
1EWS
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THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE RABBIT KIDNEY DEFENSIN, RK-1
分子名称: RK-1 DEFENSIN
著者McManus, A.M, Dawson, N.F, Wade, J.D, Craik, D.J.
登録日2000-04-26
公開日2001-05-02
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of RK-1: a novel alpha-defensin peptide.
Biochemistry, 39, 2000
7C7N
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Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative
分子名称: 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Ushiyama, F.
登録日2020-05-26
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
1EC2
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HIV-1 protease in complex with the inhibitor BEA428
分子名称: HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
著者Unge, T.
登録日2000-01-25
公開日2002-06-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
8GXQ
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PIC-Mediator in complex with +1 nucleosome (T40N) in MH-binding state
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X, Xu, Y.
登録日2022-09-21
公開日2022-11-02
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (5.04 Å)
主引用文献Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
8GXS
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PIC-Mediator in complex with +1 nucleosome (T40N) in H-binding state
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Chen, X, Wang, X, Liu, W, Ren, Y, Qu, X, Li, J, Yin, X.
登録日2022-09-21
公開日2022-11-02
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.16 Å)
主引用文献Structures of +1 nucleosome-bound PIC-Mediator complex.
Science, 378, 2022
6TZ6
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Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
分子名称: 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ...
著者Fox III, D, Lukacs, C.M.
登録日2019-08-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents.
Nat Commun, 10, 2019
1EBW
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HIV-1 protease in complex with the inhibitor BEA322
分子名称: HIV-1 PROTEASE, N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE]
著者Unge, T.
登録日2000-01-25
公開日2002-06-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
7YKO
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Crystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in complex with pentane-1,5-diol
分子名称: Triacylglycerol lipase, pentane-1,5-diol
著者Han, X, Jian, G, Bornscheuer, U.T, Wei, R, Liu, W.
登録日2022-07-23
公開日2023-07-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal structure of a novel alpha/beta hydrolase mutant from thermomonospora curvata in complex with pentane-1,5-diol
To Be Published
7N94
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LINE-1 endonuclease domain complex with DNA
分子名称: 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
著者Korolev, S, Miller, I.
登録日2021-06-16
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural dissection of sequence recognition and catalytic mechanism of human LINE-1 endonuclease.
Nucleic Acids Res., 49, 2021
8EJL
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Structure of HIV-1 capsid declination in complex with CPSF6-FG peptide
分子名称: Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein
著者Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T, dos Santos, N.F.B.
登録日2022-09-17
公開日2023-02-15
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
6XFV
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CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST
分子名称: 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
著者Sack, J.S.
登録日2020-06-16
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
8BSL
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Human GLS in complex with compound 12
分子名称: 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
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献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
1ENX
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BU of 1enx by Molmil
STRUCTURAL COMPARISON OF TWO MAJOR ENDO-1,4-BETA-XYLANASES FROM TRICHODREMA REESEI
分子名称: ENDO-1,4-BETA-XYLANASE II
著者Rouvinen, J, Torronen, A.
登録日1994-11-14
公開日1995-08-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural comparison of two major endo-1,4-xylanases from Trichoderma reesei.
Biochemistry, 34, 1995
1EYI
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FRUCTOSE-1,6-BISPHOSPHATASE COMPLEX WITH MAGNESIUM, FRUCTOSE-6-PHOSPHATE AND PHOSPHATE (R-STATE)
分子名称: 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE-1,6-BISPHOSPHATASE, MAGNESIUM ION, ...
著者Choe, J, Honzatko, R.B.
登録日2000-05-06
公開日2000-08-09
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal structures of fructose 1,6-bisphosphatase: mechanism of catalysis and allosteric inhibition revealed in product complexes.
Biochemistry, 39, 2000
8J6N
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Crystal structure of Cystathionine gamma-lyase in complex with compound 1
分子名称: 1,2-ETHANEDIOL, Cystathionine gamma-lyase, GLYCEROL, ...
著者Hibi, R, Toma-Fukai, S, Shimizu, T, Hanaoka, K.
登録日2023-04-26
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a cystathionine gamma-lyase (CSE) selective inhibitor targeting active-site pyridoxal 5'-phosphate (PLP) via Schiff base formation.
Sci Rep, 13, 2023
8SXU
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Structure of LINE-1 ORF2p with an oligo(A) template
分子名称: LINE-1 retrotransposable element ORF2 protein, RNA (25-MER)
著者van Eeuwen, T, Taylor, M.S, Rout, M.P.
登録日2023-05-24
公開日2024-01-10
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
5JRS
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CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
分子名称: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2016-05-06
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
8URJ
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Cryo-EM structure of the HIV-1 nuclear export complex
分子名称: Exportin-1, GTP-binding nuclear protein Ran, HIV-1 RRE, ...
著者Smith, A.M, Cheng, Y, Frankel, A.D.
登録日2023-10-26
公開日2025-04-30
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Structure of the HIV-1 RNA Nuclear Export Complex Reveals Crm1 Versatility
To Be Published
8PXN
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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)
分子名称: (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
著者Chung, C.
登録日2023-07-23
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献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
8EHH
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Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S.
登録日2022-09-14
公開日2023-09-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献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
8ELI
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Broadly neutralizing antibody VRC34-combo.1 in complex with HIV fusion peptide (residue 512-519)
分子名称: Fusion peptide, VRC34-combo.1 Fab Heavy chain, VRC34-combo.1 Fab Light chain
著者Xu, K, Kwong, P.D.
登録日2022-09-24
公開日2023-09-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Antibody-directed evolution reveals a mechanism for enhanced neutralization at the HIV-1 fusion peptide site.
Nat Commun, 14, 2023
5I8C
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Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab
分子名称: HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
著者Xu, K, Zhou, T, Liu, K, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
7RDK
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Crystal structure of PCDN-16B, an anti-HIV antibody from the PCDN bnAb lineage (cysteinylated state)
分子名称: 1,2-ETHANEDIOL, CYSTEINE, GLYCEROL, ...
著者Omorodion, O, Wilson, I.A.
登録日2021-07-09
公開日2021-11-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural and Biochemical Characterization of Cysteinylation in Broadly Neutralizing Antibodies to HIV-1.
J.Mol.Biol., 433, 2021

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