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8PCA
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BU of 8pca by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 50 ms
分子名称: Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCC
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Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 100 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCE
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Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 250 ms
分子名称: BORATE ION, Beta-lactamase, SULFATE ION
著者Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
登録日2023-06-11
公開日2024-06-26
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
6IFH
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BU of 6ifh by Molmil
Unphosphorylated Spo0F from Paenisporosarcina sp. TG-14
分子名称: MAGNESIUM ION, Sporulation initiation phosphotransferase F
著者Lee, J.H, Lee, C.W.
登録日2018-09-20
公開日2019-01-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of unphosphorylated Spo0F from Paenisporosarcina sp. TG-14, a psychrophilic bacterium isolated from an Antarctic glacier
Biodesign, 6(4), 2019
6H0M
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BU of 6h0m by Molmil
17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine Dinucleotide
分子名称: 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S.
登録日2018-07-10
公開日2019-07-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine Dinucleotide
To Be Published
6I5G
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BU of 6i5g by Molmil
X-ray structure of human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD)in complex with 15d-PGJ2
分子名称: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2
著者Abis, G, Kopec, J, Yue, W.W, Conte, M.R.
登録日2018-11-13
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献15-deoxy-Delta12,14-Prostaglandin J2inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism.
Commun Biol, 2, 2019
4BGJ
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BU of 4bgj by Molmil
Crystal structure of the phox-homology domain of human sorting nexin 14
分子名称: SORTING NEXIN-14
著者Vollmar, M, Kiyani, W, Shrestha, L, Goubin, S, Krojer, T, Pike, A.C.W, Carpenter, E, Quigley, A, McKenzie, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Yue, W.W.
登録日2013-03-27
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of the Phox-Homology Domain of Human Sorting Nexin 14
To be Published
8EKT
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BU of 8ekt by Molmil
CYP51 from Acanthamoeba castellanii in complex with the tetrazole-based IND inhibitor VT-1161(VT1)
分子名称: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2022-09-21
公開日2023-08-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Identification of Potent and Selective Inhibitors of Acanthamoeba : Structural Insights into Sterol 14 alpha-Demethylase as a Key Drug Target.
J.Med.Chem., 67, 2024
6SO0
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BU of 6so0 by Molmil
NMR solution structure of the family 14 carbohydrate binding module (CBM14) from human chitotriosidase
分子名称: Chitotriosidase-1
著者Madland, E, Crasson, O, Vandevenne, M, Sorlie, M, Aachmann, F.L.
登録日2019-08-28
公開日2020-01-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献NMR and Fluorescence Spectroscopies Reveal the Preorganized Binding Site in Family 14 Carbohydrate-Binding Module from Human Chitotriosidase.
Acs Omega, 4, 2019
6JQS
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BU of 6jqs by Molmil
Structure of Transcription factor, GerE
分子名称: DNA-binding response regulator
著者Lee, J.H, Lee, C.W.
登録日2019-04-01
公開日2019-04-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of a transcription factor, GerE (PaGerE), from spore-forming bacterium Paenisporosarcina sp. TG-14.
Biochem.Biophys.Res.Commun., 513, 2019
6JJR
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BU of 6jjr by Molmil
Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14
分子名称: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitotriosidase-1
著者Jiang, X, Yang, Q.
登録日2019-02-26
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.834 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
3ONT
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BU of 3ont by Molmil
The Crystal Structure of Spot14, a modulator of lipogenesis
分子名称: Spot 14 protein
著者Colbert, C.L, Kwon, H.J, Deisenhofer, J.
登録日2010-08-30
公開日2011-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of Spot 14, a modulator of fatty acid synthesis.
Proc.Natl.Acad.Sci.USA, 107, 2010
6MCW
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BU of 6mcw by Molmil
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114
分子名称: 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol, Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I.
登録日2018-09-02
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
6MI0
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BU of 6mi0 by Molmil
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state
分子名称: Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I.
登録日2018-09-18
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
3SP5
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BU of 3sp5 by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol
分子名称: 14-3-3 protein sigma, Cotylenol, MAGNESIUM ION, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-07-01
公開日2016-05-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem.Biol., 20, 2013
3SPR
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BU of 3spr by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A-THF, ...
著者Anders, C, Schumacher, B, Ottmann, C.
登録日2011-07-03
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
4UYL
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BU of 4uyl by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI
分子名称: 14-ALPHA STEROL DEMETHYLASE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2014-09-01
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
4V5A
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BU of 4v5a by Molmil
Structure of the Ribosome Recycling Factor bound to the Thermus thermophilus 70S ribosome with mRNA, ASL-Phe and tRNA-fMet
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Weixlbaumer, A, Petry, S, Dunham, C.M, Selmer, M, Kelley, A.C, Ramakrishnan, V.
登録日2007-06-28
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of the ribosome recycling factor bound to the ribosome.
Nat. Struct. Mol. Biol., 14, 2007
4V64
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BU of 4v64 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with hygromycin B.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Borovinskaya, M.A, Shoji, S, Fredrick, K, Cate, J.H.D.
登録日2008-06-11
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural basis for hygromycin B inhibition of protein biosynthesis
Rna, 14, 2008
8TOF
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BU of 8tof by Molmil
Rpd3S bound to an H3K36Cme3 modified nucleosome
分子名称: Chromatin modification-related protein EAF3, DNA (176-MER), Histone H2A, ...
著者Markert, J.W, Vos, S.M, Farnung, L.
登録日2023-08-03
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure of the complete Saccharomyces cerevisiae Rpd3S-nucleosome complex.
Nat Commun, 14, 2023
6DDG
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BU of 6ddg by Molmil
Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-6
分子名称: 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ...
著者Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T.
登録日2018-05-10
公開日2019-03-20
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria.
ChemMedChem, 14, 2019
3CME
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BU of 3cme by Molmil
The Structure of CA and CCA-PHE-CAP-BIO Bound to the Large Ribosomal Subunit of Haloarcula Marismortui
分子名称: 50S RIBOSOMAL RNA, 50S ribosomal protein L10E, 50S ribosomal protein L10e, ...
著者Simonovic, M, Steitz, T.A.
登録日2008-03-21
公開日2008-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Peptidyl-CCA deacylation on the ribosome promoted by induced fit and the O3'-hydroxyl group of A76 of the unacylated A-site tRNA.
Rna, 14, 2008
4V54
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BU of 4v54 by Molmil
Crystal structure of the bacterial ribosome from Escherichia coli in complex with ribosome recycling factor (RRF).
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Borovinskaya, M.A, Pai, R.D, Zhang, W, Schuwirth, B.-S, Holton, J.M, Hirokawa, G, Kaji, H, Kaji, A, Cate, J.H.D.
登録日2007-06-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for aminoglycoside inhibition of bacterial ribosome recycling.
Nat.Struct.Mol.Biol., 14, 2007
4UYM
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BU of 4uym by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with voriconazole
分子名称: 14-ALPHA STEROL DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2014-09-02
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
8UD9
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Structure of human constitutive 20S proteasome complexed with the inhibitor TDI-8304
分子名称: (7S,10S,13S)-N-cyclopentyl-10-[2-(morpholin-4-yl)ethyl]-9,12-dioxo-13-(2-oxopyrrolidin-1-yl)-2-oxa-8,11-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-7-carboxamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者Hsu, H.-C, Li, H.
登録日2023-09-28
公開日2023-12-20
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (2.04 Å)
主引用文献Structures revealing mechanisms of resistance and collateral sensitivity of Plasmodium falciparum to proteasome inhibitors.
Nat Commun, 14, 2023

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