3USL
 
 | | Crystal Structure of LeuT bound to L-selenomethionine in space group C2 from lipid bicelles | | Descriptor: | ACETATE ION, IODIDE ION, PHOSPHOCHOLINE, ... | | Authors: | Wang, H, Elferich, J, Gouaux, E. | | Deposit date: | 2011-11-23 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context.
Nat.Struct.Mol.Biol., 19, 2012
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7W8E
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6F9O
 | | Crystal structure of cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Haloalkane dehalogenase, ... | | Authors: | Tratsiak, K, Prudnikova, T, Drienovska, I, Damborsky, J, Brynda, J, Pachl, P, Kuty, M, Chaloupkova, R, Kuta Smatanova, I, Rezacova, P. | | Deposit date: | 2017-12-15 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Crystal structure of the cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5.
Acta Crystallogr.,Sect.F, 75, 2019
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3ZE3
 | | Crystal structure of the integral membrane diacylglycerol kinase - delta7 | | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, ... | | Authors: | Li, D, Pye, V.E, Lyons, J.A, Vogeley, L, Aragao, D, Caffrey, M. | | Deposit date: | 2012-12-03 | | Release date: | 2013-05-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of the Integral Membrane Diacylglycerol Kinase.
Nature, 497, 2013
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3ZUX
 | | Crystal structure of a bacterial homologue of the bile acid sodium symporter ASBT. | | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, MERCURY (II) ION, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Hu, N.-J, Iwata, S, Cameron, A.D, Drew, D. | | Deposit date: | 2011-07-21 | | Release date: | 2011-10-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of a Bacterial Homologue of the Bile Acid Sodium Symporter Asbt.
Nature, 478, 2011
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3ZGD
 | | crystal structure of a KEAP1 mutant | | Descriptor: | ACETATE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SODIUM ION | | Authors: | Hoerer, S, Reinert, D, Ostmann, K, Hoevels, Y, Nar, H. | | Deposit date: | 2012-12-17 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal-Contact Engineering to Obtain a Crystal Form of the Kelch Domain of Human Keap1 Suitable for Ligand-Soaking Experiments.
Acta Crystallogr.,Sect.F, 69, 2013
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6FHD
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3WV2
 | | Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide | | Descriptor: | CALCIUM ION, Collagenase 3, N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2014-05-12 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site.
Bioorg.Med.Chem., 22, 2014
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6FGD
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6FT8
 | | Crystal structure of CLK1 in complex with inhibitor 8g | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Walter, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-20 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
PLoS ONE, 13, 2018
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3WNU
 | | The crystal structure of catalase-peroxidase, KatG, from Synechococcus PCC7942 | | Descriptor: | Catalase-peroxidase, HEME B/C, SODIUM ION | | Authors: | Tada, T, Wada, K, Kamachi, S. | | Deposit date: | 2013-12-17 | | Release date: | 2014-03-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The 2.2 angstrom resolution structure of the catalase-peroxidase KatG from Synechococcus elongatus PCC7942.
Acta Crystallogr.,Sect.F, 70, 2014
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3WV3
 | | Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... | | Authors: | Oki, H, Tanaka, Y. | | Deposit date: | 2014-05-12 | | Release date: | 2014-09-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site.
Bioorg.Med.Chem., 22, 2014
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6FP4
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | | Deposit date: | 2018-02-09 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
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7XOI
 | | Aspergillus sojae alpha-glucosidase AsojAgdL in complex with trehalose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | Tonozuka, T. | | Deposit date: | 2022-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for proteolytic processing of Aspergillus sojae alpha-glucosidase L with strong transglucosylation activity.
J.Struct.Biol., 214, 2022
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6FHF
 | | Highly active enzymes by automated modular backbone assembly and sequence design | | Descriptor: | Design, SODIUM ION | | Authors: | Lapidot, G, Khersonsky, O, Lipsh, R, Dym, O, Albeck, S, Rogotner, S, Fleishman, J.S. | | Deposit date: | 2018-01-14 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Highly active enzymes by automated combinatorial backbone assembly and sequence design.
Nat Commun, 9, 2018
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3ZOV
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | | Descriptor: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 1, DIMETHYL SULFOXIDE, ... | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-02-25 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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6FKY
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6G3E
 | | Crystal structure of EDDS lyase in complex with formate | | Descriptor: | Argininosuccinate lyase, FORMIC ACID, SODIUM ION | | Authors: | Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J. | | Deposit date: | 2018-03-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Biochemistry, 57, 2018
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3ZPI
 | | PikC D50N mutant in P21 space group | | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450 HYDROXYLASE PIKC, FORMIC ACID, ... | | Authors: | Podust, L.M. | | Deposit date: | 2013-02-27 | | Release date: | 2014-03-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Recognition of Synthetic Substrates by P450 Pikc
To be Published
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3USG
 | | Crystal structure of LeuT bound to L-leucine in space group C2 from lipid bicelles | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, LEUCINE, ... | | Authors: | Wang, H, Elferich, J, Gouaux, E. | | Deposit date: | 2011-11-23 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structures of LeuT in bicelles define conformation and substrate binding in a membrane-like context.
Nat.Struct.Mol.Biol., 19, 2012
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6G8B
 | | E. coli Aminopeptidase N solved by Native SAD from a dataset collected in 60 second with JUNGFRAU detector | | Descriptor: | Aminopeptidase N, DIMETHYL SULFOXIDE, SODIUM ION, ... | | Authors: | Leonarski, F, Olieric, V, Redford, S, Wang, M. | | Deposit date: | 2018-04-08 | | Release date: | 2018-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Fast and accurate data collection for macromolecular crystallography using the JUNGFRAU detector.
Nat. Methods, 15, 2018
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3UUB
 | | The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' mutant reduced in solution | | Descriptor: | CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | | Deposit date: | 2011-11-28 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel.
Nat.Struct.Mol.Biol., 19, 2012
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6FXP
 | | Crystal structure of S. aureus glucosaminidase B | | Descriptor: | CHLORIDE ION, SODIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Pintar, S, Turk, D. | | Deposit date: | 2018-03-09 | | Release date: | 2019-03-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Domain sliding of two Staphylococcus aureus N-acetylglucosaminidases enables their substrate-binding prior to its catalysis.
Commun Biol, 3, 2020
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3UI6
 | | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | | Deposit date: | 2011-11-04 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
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6GBT
 | | 17beta-hydroxysteroid dehydrogenase type 14 Mutant Y253A in complex with a non-steroidal inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S. | | Deposit date: | 2018-04-16 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 17beta Hydroxysteroid Dehydrogenase type 14 mutant C255A in complex with non-steroidal inhibitor
To Be Published
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