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6RU2
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BU of 6ru2 by Molmil
Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-glucuronoyl methylesterase, ...
Authors:Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S.
Deposit date:2019-05-27
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Sugar ABC transporter, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-21
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: PHOSPHATE ION, Protoplast secreted protein 2
Authors:Hromic, A, Gruber, K.
Deposit date:2016-12-15
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.79 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kanaujia, S.P, Chandravanshi, M, Samanta, R.
Deposit date:2020-05-22
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 1-[(dimethylamino)methyl]naphthalen-2-ol, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Angelucci, F, Silvestri, I, Fata, F, Williams, D.L.
Deposit date:2019-05-24
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Beta-lactoglobulin, MYRISTIC ACID, SULFATE ION
Authors:Loch, J.I, Kaczor, K, Lewinski, K.
Deposit date:2019-06-05
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Irie, K, Toyooka, N, Endo, S.
Deposit date:2020-05-25
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: Neuraminidase
Authors:Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J.
Deposit date:2017-01-13
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Beta-lactoglobulin, MYRISTIC ACID
Authors:Loch, J.I, Gotkowski, M, Lewinski, K.
Deposit date:2019-06-05
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Intracellular chorismate mutase
Authors:Thorbjornsrud, H.V, Kamarauskaite, J, Kast, P, Krengel, U.
Deposit date:2016-12-19
Release date:2018-08-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Evolving the naturally compromised chorismate mutase from Mycobacterium tuberculosis to top performance.
J.Biol.Chem., 295, 2020
6RWR
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BU of 6rwr by Molmil
Engineered beta-lactoglobulin: variant M107L in complex with myristic acid
Descriptor: Beta-lactoglobulin, MYRISTIC ACID
Authors:Loch, J.I, Gotkowski, M, Lewinski, K.
Deposit date:2019-06-05
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Masuyer, G, Ndi, M, Ott, M, Stenmark, P.
Deposit date:2019-06-06
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-19
Release date:2017-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Protein kinase C-binding protein 1, SULFATE ION, ZINC ION
Authors: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.
Deposit date:2016-12-20
Release date:2017-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Peptide methionine sulfoxide reductase MsrB
Authors:Kim, H.J.
Deposit date:2020-08-19
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.47 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase
Authors:Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
Deposit date:2020-08-20
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative GroEL-like chaperonine protein
Authors:Bracher, A, Paul, S.S, Wang, H, Wischnewski, N, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2019-12-05
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.03 Å)
Cite: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
Descriptor: CHLORIDE ION, MAGNESIUM ION, Nanobody NbD2, ...
Authors:Soler, N, Kunz, P, Muyldermans, S.
Deposit date:2016-10-28
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Engineering the Thermostability of Nanobodies
To be published
5MY7
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BU of 5my7 by Molmil
Adhesin Complex Protein from Neisseria meningitidis
Descriptor: Adhesin, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Derrick, J.P, Awanye, A.
Deposit date:2017-01-25
Release date:2017-06-21
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: DIMETHYL SULFOXIDE, Teicoplanin Aglycone
Authors:Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S.
Deposit date:2019-12-12
Release date:2020-01-15
Last modified:2022-01-19
Method:X-RAY DIFFRACTION (0.767 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ...
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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)
Descriptor: (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, ...
Authors:Gadd, M.S, Soares, P, Ciulli, A.
Deposit date:2017-05-04
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Microcin-J25 export ATP-binding/permease protein McjD
Authors:Beis, K, Choudhury, H.G.
Deposit date:2017-07-11
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (4.71 Å)
Cite: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
Descriptor: ACETIC ACID, Amylase, CALCIUM ION, ...
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2019-12-12
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
6TJ4
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BU of 6tj4 by Molmil
P. falciparum essential light chain, N-terminal domain
Descriptor: PfELC
Authors:Pazicky, S, Loew, C.
Deposit date:2019-11-25
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural role of essential light chains in the apicomplexan glideosome.
Commun Biol, 3, 2020

224201

數據於2024-08-28公開中

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