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6RU2
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Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-glucuronoyl methylesterase, ...
著者Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S.
登録日2019-05-27
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
7C69
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BU of 7c69 by Molmil
Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to sophorose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Sugar ABC transporter, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-21
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
5MP4
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BU of 5mp4 by Molmil
The structure of Pst2p from Saccharomyces cerevisiae
分子名称: PHOSPHATE ION, Protoplast secreted protein 2
著者Hromic, A, Gruber, K.
登録日2016-12-15
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structure, biochemical and kinetic properties of recombinant Pst2p from Saccharomyces cerevisiae, a FMN-dependent NAD(P)H:quinone oxidoreductase.
Biochim. Biophys. Acta, 1865, 2017
7C6V
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BU of 7c6v by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to laminaritriose (Form II)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-22
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
6RTJ
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BU of 6rtj by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 1 hour of soaking
分子名称: 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Angelucci, F, Silvestri, I, Fata, F, Williams, D.L.
登録日2019-05-24
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
6RWP
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BU of 6rwp by Molmil
Engineered beta-lactoglobulin: variant L58F in complex with myristic acid
分子名称: Beta-lactoglobulin, MYRISTIC ACID, SULFATE ION
著者Loch, J.I, Kaczor, K, Lewinski, K.
登録日2019-06-05
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
7C7H
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BU of 7c7h by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2l
分子名称: 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Irie, K, Toyooka, N, Endo, S.
登録日2020-05-25
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
5MUK
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BU of 5muk by Molmil
Glycoside Hydrolase BT3686
分子名称: Neuraminidase
著者Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J.
登録日2017-01-13
公開日2017-04-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Unusual active site location and catalytic apparatus in a glycoside hydrolase family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RWQ
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BU of 6rwq by Molmil
Engineered beta-lactoglobulin: variant F105L in complex with myristic acid
分子名称: 1,2-ETHANEDIOL, Beta-lactoglobulin, MYRISTIC ACID
著者Loch, J.I, Gotkowski, M, Lewinski, K.
登録日2019-06-05
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
5MPV
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BU of 5mpv by Molmil
Crystal structure of a Mycobacterium tuberculosis chorismate mutase optimized for high autonomous activity by directed evolution
分子名称: Intracellular chorismate mutase
著者Thorbjornsrud, H.V, Kamarauskaite, J, Kast, P, Krengel, U.
登録日2016-12-19
公開日2018-08-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Evolving the naturally compromised chorismate mutase from Mycobacterium tuberculosis to top performance.
J.Biol.Chem., 295, 2020
6RWR
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Engineered beta-lactoglobulin: variant M107L in complex with myristic acid
分子名称: Beta-lactoglobulin, MYRISTIC ACID
著者Loch, J.I, Gotkowski, M, Lewinski, K.
登録日2019-06-05
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020
6RWT
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BU of 6rwt by Molmil
Crystal structure of the Cbp3 homolog from Brucella abortus
分子名称: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
著者Masuyer, G, Ndi, M, Ott, M, Stenmark, P.
登録日2019-06-06
公開日2019-09-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural basis for the interaction of the chaperone Cbp3 with newly synthesized cytochromebduring mitochondrial respiratory chain assembly.
J.Biol.Chem., 294, 2019
5MPZ
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BU of 5mpz by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP007
分子名称: CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2016-12-19
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQ4
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BU of 5mq4 by Molmil
Crystal Structure of the leucine zipper of human PRKCBP1
分子名称: Protein kinase C-binding protein 1, SULFATE ION, ZINC ION
著者Krojer, T, Savitsky, P, Picaud, S, Newman, J, Tallant, C, Heroven, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
登録日2016-12-20
公開日2017-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the leucine zipper of human PRKCBP1
To Be Published
7CTO
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BU of 7cto by Molmil
Staphylococcus aureus MsrB
分子名称: Peptide methionine sulfoxide reductase MsrB
著者Kim, H.J.
登録日2020-08-19
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.47 Å)
主引用文献Implication of Staphylococcus aureus MsrB dimerization upon oxidation.
Biochem.Biophys.Res.Commun., 533, 2020
7CU1
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BU of 7cu1 by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE (THAL) IN COMPLEX WITH FAD and AMP
分子名称: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase
著者Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
登録日2020-08-20
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
6TMT
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BU of 6tmt by Molmil
Crystal structure of the chaperonin gp146 from the bacteriophage EL 2 (Pseudomonas aeruginosa) in presence of ATP-BeFx, crystal form I
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative GroEL-like chaperonine protein
著者Bracher, A, Paul, S.S, Wang, H, Wischnewski, N, Hartl, F.U, Hayer-Hartl, M.
登録日2019-12-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.03 Å)
主引用文献Structure and conformational cycle of a bacteriophage-encoded chaperonin.
Plos One, 15, 2020
5M7Q
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BU of 5m7q by Molmil
Engineering the Thermostability of Nanobodies - NbD2
分子名称: CHLORIDE ION, MAGNESIUM ION, Nanobody NbD2, ...
著者Soler, N, Kunz, P, Muyldermans, S.
登録日2016-10-28
公開日2016-11-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Engineering the Thermostability of Nanobodies
To be published
5MY7
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BU of 5my7 by Molmil
Adhesin Complex Protein from Neisseria meningitidis
分子名称: Adhesin, DI(HYDROXYETHYL)ETHER, SODIUM ION
著者Derrick, J.P, Awanye, A.
登録日2017-01-25
公開日2017-06-21
最終更新日2017-07-12
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the Neisseria Adhesin Complex Protein (ACP) and its role as a novel lysozyme inhibitor.
PLoS Pathog., 13, 2017
6TOV
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BU of 6tov by Molmil
Crystal Structure of Teicoplanin Aglycone
分子名称: DIMETHYL SULFOXIDE, Teicoplanin Aglycone
著者Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S.
登録日2019-12-12
公開日2020-01-15
最終更新日2022-01-19
実験手法X-RAY DIFFRACTION (0.767 Å)
主引用文献Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase
Separations, 2022
6TIV
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BU of 6tiv by Molmil
Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ...
著者Rudraraju, R, Schnell, R, Schneider, G.
登録日2019-11-22
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
5NW2
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BU of 5nw2 by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-3,3-dimethyl-2-(oxetane-3-carboxamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 19)
分子名称: (2~{S},4~{R})-1-[(2~{S})-3,3-dimethyl-2-(oxetan-3-ylcarbonylamino)butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Gadd, M.S, Soares, P, Ciulli, A.
登録日2017-05-04
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298).
J. Med. Chem., 61, 2018
5OFP
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BU of 5ofp by Molmil
Structure of the antibacterial peptide ABC transporter McjD in an apo inward occluded conformation
分子名称: Microcin-J25 export ATP-binding/permease protein McjD
著者Beis, K, Choudhury, H.G.
登録日2017-07-11
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.71 Å)
主引用文献Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD.
EMBO J., 36, 2017
6TP0
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BU of 6tp0 by Molmil
Crystal structure of Bacillus paralicheniformis alpha-amylase in complex with maltose
分子名称: ACETIC ACID, Amylase, CALCIUM ION, ...
著者Rozeboom, H.J, Janssen, D.B.
登録日2019-12-12
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
6TJ4
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P. falciparum essential light chain, N-terminal domain
分子名称: PfELC
著者Pazicky, S, Loew, C.
登録日2019-11-25
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural role of essential light chains in the apicomplexan glideosome.
Commun Biol, 3, 2020

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件を2024-08-28に公開中

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