6RH9
 
 | | Crystal Structure of Two-Domain Laccase mutant I170F from Streptomyces griseoflavus | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ... | | Authors: | Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A. | | Deposit date: | 2019-04-19 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
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7K75
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4XXF
 | | L-fuculose 1-phosphate aldolase from Glaciozyma antarctica PI12 | | Descriptor: | Fuculose-1-phosphate aldolase, ZINC ION | | Authors: | Jaafar, N.R, Abu Bakar, F.D, Abdul Murad, A.M, Illias, R, Littler, D, Beddoe, T, Rossjohn, J, Mahadi, M.N. | | Deposit date: | 2015-01-30 | | Release date: | 2015-02-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal structure of fuculose aldolase from the Antarctic psychrophilic yeast Glaciozyma antarctica PI12.
Acta Crystallogr.,Sect.F, 72, 2016
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6FDX
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086 | | Descriptor: | (4aS,8aR)-2-[1-(2-aminoquinazolin-4-yl)piperidin-4-yl]-4-(3,4-dimethoxyphenyl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, FORMIC ACID, GUANIDINE, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2017-12-27 | | Release date: | 2019-04-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | TbrPDEB1 structure with inhibitor NPD-1086
To be published
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5LIP
 | | PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-1,2-DIOCTYLCARBAMOYLGLYCERO-3-O-OCTYLPHOSPHONATE | | Descriptor: | CALCIUM ION, OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER, TRIACYL-GLYCEROL HYDROLASE | | Authors: | Lang, D.A, Dijkstra, B.W. | | Deposit date: | 1997-09-02 | | Release date: | 1998-08-19 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
Eur.J.Biochem., 254, 1998
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4Y37
 | | Endothiapepsin in complex with fragement 305 | | Descriptor: | 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ... | | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5JG9
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4X9J
 | | EGR-1 with Doubly Methylated DNA | | Descriptor: | DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | | Deposit date: | 2014-12-11 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.412 Å) | | Cite: | Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1.
Febs Lett., 589, 2015
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4XYC
 | | NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES | | Descriptor: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1 | | Authors: | Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E. | | Deposit date: | 2015-02-02 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
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6F59
 | | Crystal structure of human Brachyury (T) G177D variant in complex with DNA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Brachyury protein, DNA (26-MER), ... | | Authors: | Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2017-12-01 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Crystal structure of human Brachyury (T) G177D variant in complex with DNA
To Be Published
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8OM2
 | | Small subunit of yeast mitochondrial ribosome in complex with METTL17/Rsm22. | | Descriptor: | 15S mitochondrial rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | | Authors: | Itoh, Y, Chicherin, I, Kamenski, P, Amunts, A. | | Deposit date: | 2023-03-31 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | METTL17 is an Fe-S cluster checkpoint for mitochondrial translation.
Mol.Cell, 84, 2024
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6RJN
 | | Crystal structure of a Fungal Catalase at 2.3 Angstroms | | Descriptor: | CHLORIDE ION, Catalase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gomez, S, Navas-Yuste, S, Payne, A.M, Rivera, W, Lopez-Estepa, M, Brangbour, C, Fulla, D, Juanhuix, J, Fernandez, F.J, Vega, M.C. | | Deposit date: | 2019-04-28 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes.
Free Radic. Biol. Med., 141, 2019
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6UQK
 | | Cryo-EM structure of type 3 IP3 receptor revealing presence of a self-binding peptide | | Descriptor: | ZINC ION, inositol 1,4,5-triphosphate receptor, type 3 | | Authors: | Azumaya, C.M, Linton, E.A, Risener, C.J, Nakagawa, T, Karakas, E. | | Deposit date: | 2019-10-20 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Cryo-EM structure of human type-3 inositol triphosphate receptor reveals the presence of a self-binding peptide that acts as an antagonist.
J.Biol.Chem., 295, 2020
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6F5S
 | | Crystal Structure of KDM4D with tetrazole ligand GF049 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-12-02 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structure of KDM4D with tetrazole ligand GF049
To be published
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8T48
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8OM4
 | | Small subunit of yeast mitochondrial ribosome. | | Descriptor: | 15S mitochondrial rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | | Authors: | Itoh, Y, Chicherin, I, Kamenski, P, Amunts, A. | | Deposit date: | 2023-03-31 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.32 Å) | | Cite: | METTL17 is an Fe-S cluster checkpoint for mitochondrial translation.
Mol.Cell, 84, 2024
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6S7K
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-(N-methylsulfamoyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-05 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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6MH2
 | | Structure of Herceptin Fab without antigen | | Descriptor: | Herceptin Fab arm heavy chain, Herceptin Fab arm light chain | | Authors: | Luthra, A, Langley, D.B, Christie, M, Christ, D. | | Deposit date: | 2018-09-17 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human Antibody Bispecifics through Phage Display Selection.
Biochemistry, 58, 2019
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4XB4
 | | Structure of the N-terminal domain of OCP binding canthaxanthin | | Descriptor: | Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione | | Authors: | Kerfeld, C.A, Sutter, M, Leverenz, R.L. | | Deposit date: | 2014-12-16 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.544 Å) | | Cite: | PHOTOSYNTHESIS. A 12 angstrom carotenoid translocation in a photoswitch associated with cyanobacterial photoprotection.
Science, 348, 2015
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4XBG
 | | Crystal structure of human 4E10 Fab in complex with phosphatidic acid (06:0 PA): 2.73 A resolution | | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 4E10 Fab heavy chain, 4E10 Fab light chain, ... | | Authors: | Irimia, A, Stanfield, R.L, Wilson, I.A. | | Deposit date: | 2014-12-16 | | Release date: | 2016-02-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Immunity, 44, 2016
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6ETL
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4Y3A
 | | Endothiapepsin in complex with fragment 181 | | Descriptor: | 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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8OM3
 | | Small subunit of yeast mitochondrial ribosome in complex with IF3/Aim23. | | Descriptor: | 15S mitochondrial rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | | Authors: | Itoh, Y, Chicherin, I, Kamenski, P, Amunts, A. | | Deposit date: | 2023-03-31 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | METTL17 is an Fe-S cluster checkpoint for mitochondrial translation.
Mol.Cell, 84, 2024
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6OTS
 | | Rat ERK2 E320K | | Descriptor: | Mitogen-activated protein kinase 1 | | Authors: | Taylor, C.A, Cormier, K.W, Juang, Y.-C, Goldsmith, E.J, Cobb, M.H. | | Deposit date: | 2019-05-03 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7S3T
 | | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2021-09-08 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
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