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6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
Descriptor: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6YPK
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BU of 6ypk by Molmil
Crystal Structure of CK2alpha with GTP bound
Descriptor: Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
1G3F
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BU of 1g3f by Molmil
NMR STRUCTURE OF A 9 RESIDUE PEPTIDE FROM SMAC/DIABLO COMPLEXED TO THE BIR3 DOMAIN OF XIAP
Descriptor: INHIBITOR OF APOPTOSIS PROTEIN 3, SMAC, ZINC ION
Authors:Liu, Z, Sun, C, Olejniczak, E.T, Meadows, R.P, Betz, S.F, Oost, T, Herrmann, J, Wu, J.C, Fesik, S.W.
Deposit date:2000-10-24
Release date:2001-01-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain.
Nature, 408, 2000
6YQ2
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BU of 6yq2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129
Descriptor: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-16
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YSB
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BU of 6ysb by Molmil
Crystal structure of Malus domestica Double Bond Reductase (MdDBR) apo form
Descriptor: 2-alkenal reductase (NADP(+)-dependent)-like, SULFATE ION
Authors:Caliandro, R, Polsinelli, I, Demitri, N, Benini, S.
Deposit date:2020-04-21
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates.
Int.J.Biol.Macromol., 171, 2021
6Y9W
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BU of 6y9w by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
8J56
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BU of 8j56 by Molmil
Crystal structure of the FlhDC complex from Cupriavidus necator
Descriptor: Flagellar transcriptional regulator FlhC, Flagellar transcriptional regulator FlhD, ZINC ION
Authors:Cho, S.Y, Oh, H.B, Yoon, S.I.
Deposit date:2023-04-21
Release date:2024-02-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Hexameric structure of the flagellar master regulator FlhDC from Cupriavidus necator and its interaction with flagellar promoter DNA.
Biochem.Biophys.Res.Commun., 672, 2023
6YBF
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BU of 6ybf by Molmil
RT structure of HEW Lysozyme obtained at 1.13 A resolution from crystal grown in a Kapton microchip.
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Gavira, J, Martinez-Rodriguez, S.
Deposit date:2020-03-17
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Attaining atomic resolution from in situ data collection at room temperature using counter-diffusion-based low-cost microchips.
Acta Crystallogr D Struct Biol, 76, 2020
4HEA
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BU of 4hea by Molmil
Crystal structure of the entire respiratory complex I from Thermus thermophilus
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Baradaran, R, Berrisford, J.M, Minhas, G.S, Sazanov, L.A.
Deposit date:2012-10-03
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3027 Å)
Cite:Crystal structure of the entire respiratory complex I.
Nature, 494, 2013
8FAA
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BU of 8faa by Molmil
Crystal structure of Xanthomonas campestris GH35 beta-galactosidase
Descriptor: Beta-galactosidase
Authors:Godoy, A.S, Polikarpov, I.
Deposit date:2022-11-25
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Xanthomonas campestris GanA beta-galactosidase
To Be Published
6YEI
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BU of 6yei by Molmil
Arabidopsis thaliana glutamate dehydrogenase isoform 1 in complex with NAD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Ruszkowski, M, Grzechowiak, M, Jaskolski, M.
Deposit date:2020-03-24
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural Studies of Glutamate Dehydrogenase (Isoform 1) FromArabidopsis thaliana, an Important Enzyme at the Branch-Point Between Carbon and Nitrogen Metabolism.
Front Plant Sci, 11, 2020
5CLC
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BU of 5clc by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog (9-mer B)
Descriptor: AlkD, DNA (5'-D(*AP*AP*GP*CP*CP*(DZM)P*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*TP*GP*GP*CP*T)-3')
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
6YE2
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BU of 6ye2 by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-03-23
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.
J.Med.Chem., 64, 2021
6YOD
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BU of 6yod by Molmil
Structure of Lysozyme from SiN IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
1G9L
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BU of 1g9l by Molmil
SOLUTION STRUCTURE OF THE PABC DOMAIN OF HUMAN POLY(A) BINDING PROTEIN
Descriptor: POLYADENYLATE-BINDING PROTEIN 1
Authors:Kozlov, G, Trempe, J.-F, Khaleghpour, K, Kahvejian, A, Ekiel, I, Gehring, K.
Deposit date:2000-11-24
Release date:2001-03-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and function of the C-terminal PABC domain of human poly(A)-binding protein.
Proc.Natl.Acad.Sci.USA, 98, 2001
8FA5
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BU of 8fa5 by Molmil
Crystal structure of Xanthomonas campestris GH35 beta-galactosidase
Descriptor: 1,2-ETHANEDIOL, Beta-galactosidase
Authors:Godoy, A.S, Polikarpov, I.
Deposit date:2022-11-25
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Xanthomonas campestris GanA beta-galactosidase
To Be Published
5N1J
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BU of 5n1j by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ...
Authors:Giastas, P, Andreou, A, Balomenou, S, Bouriotis, V, Eliopoulos, E.E.
Deposit date:2017-02-06
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
5MYY
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BU of 5myy by Molmil
Hen Egg-White Lysozyme (HEWL) cocrystallized in the presence of Cadmium sulphate
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Panneerselvam, S, Burkhardt, A, Meents, A.
Deposit date:2017-01-30
Release date:2017-07-12
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Rapid cadmium SAD phasing at the standard wavelength (1 angstrom ).
Acta Crystallogr D Struct Biol, 73, 2017
5MZ8
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BU of 5mz8 by Molmil
Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S.
Deposit date:2017-01-31
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
6YPY
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BU of 6ypy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123
Descriptor: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-16
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOW
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BU of 6yow by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521
Descriptor: 14-3-3 protein sigma, 4-(methylsulfonyl)benzaldehyde, p65pS45
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOZ
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BU of 6yoz by Molmil
HiCel7B labelled with b-1,4-glucosyl cyclophellitol
Descriptor: (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-04-15
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
1W0F
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BU of 1w0f by Molmil
Crystal structure of human cytochrome P450 3A4
Descriptor: CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
6YPA
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BU of 6ypa by Molmil
The C146A variant of an amidase from Pyrococcus horikoshii with bound glutaramide
Descriptor: CN hydrolase domain-containing protein, GLYCEROL, pentanediamide
Authors:Sewell, B.T, Su, S, Venter, P, Makumire, S.
Deposit date:2020-04-15
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The structure of the C146A variant of the amidase from Pyrococcus horikoshii bound to glutaramide suggests the basis of amide recognition.
To Be Published
6YQ0
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BU of 6yq0 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020

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數據於2024-08-14公開中

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