5QUT
 
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5QUS
 | | HumRadA1 soaked with 5 mM indazole in 10% DMSO | | Descriptor: | 1H-indazole, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Marsh, M, Hyvonen, M. | | Deposit date: | 2020-01-27 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.247 Å) | | Cite: | Optimisation of crystal forms for structure-guided drug discovery
To be published
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3SQF
 | | Crystal structure of monomeric M-PMV retroviral protease | | Descriptor: | Protease | | Authors: | Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders | | Deposit date: | 2011-07-05 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6324 Å) | | Cite: | Crystal structure of a monomeric retroviral protease solved by protein folding game players.
Nat.Struct.Mol.Biol., 18, 2011
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5QUU
 | | HumRadA1 as soaking control with 10% DMSO | | Descriptor: | DIMETHYL SULFOXIDE, PHOSPHATE ION, RadA | | Authors: | Marsh, M, Hyvonen, M. | | Deposit date: | 2020-01-27 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.248 Å) | | Cite: | Optimisation of crystal forms for structure-guided drug discovery
To be published
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5QUR
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6FMR
 | | IMISX-EP of Se-PepTSt | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-29 | | Last modified: | 2018-10-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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6FMW
 | | IMISX-EP of Hg-BacA cocrystallization | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | Deposit date: | 2018-02-02 | | Release date: | 2018-09-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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7B9W
 | | Crystal structure of MurE from E.coli in complex with Z757284380 | | Descriptor: | 1,2-ETHANEDIOL, 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-14 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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3DAY
 | | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP-CPP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, ... | | Authors: | Pilka, E.S, Kochan, G.T, Yue, W.W, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-30 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
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1HL3
 | | CtBP/BARS in ternary complex with NAD(H) and PIDLSKK peptide | | Descriptor: | C-TERMINAL BINDING PROTEIN 3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PRO-ILE-ASP-LEU-SER-LYS-LYS PEPTIDE | | Authors: | Nardini, M, Spano, S, Cericola, C, Pesce, A, Massaro, A, Millo, E, Luini, A, Corda, D, Bolognesi, M. | | Deposit date: | 2003-03-13 | | Release date: | 2003-06-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Ctbp/Bars: A Dual-Function Protein Involved in Transcription Co-Repression and Golgi Membrane Fission
Embo J., 22, 2003
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7Q4A
 | | Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib | | Descriptor: | Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Swale, C, Bellini, V, Bowler, M. | | Deposit date: | 2021-10-29 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
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7F1I
 | | Designed enzyme RA61 M48K/I72D mutant: form II | | Descriptor: | Engineered Retroaldolase | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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7ERH
 | | Crystal structure of WT-TTR in complex with bithionol | | Descriptor: | 2,2'-sulfanediylbis(4,6-dichlorophenol), CALCIUM ION, Transthyretin | | Authors: | Yokoyama, T, Kashihara, M, Mizuguchi, M. | | Deposit date: | 2021-05-06 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
J.Med.Chem., 64, 2021
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8ERC
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7F1H
 | | Designed enzyme RA61 M48K/I72D mutant: form I | | Descriptor: | Engineered Retroaldolase, FORMIC ACID, GLYCEROL | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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7ERJ
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5F31
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group | | Descriptor: | ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ... | | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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7F1J
 | | Designed enzyme RA61 M48K/I72D mutant: form III | | Descriptor: | Engineered Retroaldolase | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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3LMM
 | | Crystal Structure of the DIP2311 protein from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR35 | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Uncharacterized protein | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Buchwald, W.A, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-01-31 | | Release date: | 2010-02-16 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Northeast Structural Genomics Consortium Target CdR35
To be Published
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7ERK
 | | Crystal structure of V30M-TTR in complex with dasatinib | | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Transthyretin | | Authors: | Yokoyama, T, Kashihara, M, Mizuguchi, M. | | Deposit date: | 2021-05-06 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.703 Å) | | Cite: | Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
J.Med.Chem., 64, 2021
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7ERI
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8OLD
 | | Crystal structure of Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Archaeoglobus fulgidus AfAgo-N protein representing N-L1-L2 domains, CACODYLATE ION, ... | | Authors: | Manakova, E.N, Zaremba, M, Grazulis, S. | | Deposit date: | 2023-03-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The missing part: the Archaeoglobus fulgidus Argonaute forms a functional heterodimer with an N-L1-L2 domain protein.
Nucleic Acids Res., 52, 2024
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7F1K
 | | Designed enzyme RA61 M48K/I72D mutant: form IV | | Descriptor: | Engineered Retroaldolase | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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2SPZ
 | | STAPHYLOCOCCAL PROTEIN A, Z-DOMAIN, NMR, 10 STRUCTURES | | Descriptor: | IMMUNOGLOBULIN G BINDING PROTEIN A | | Authors: | Montelione, G.T, Tashiro, M, Tejero, R, Lyons, B.A. | | Deposit date: | 1998-07-29 | | Release date: | 1998-08-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High-resolution solution NMR structure of the Z domain of staphylococcal protein A.
J.Mol.Biol., 272, 1997
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7F1L
 | | Designed enzyme RA61 M48K/I72D mutant: form V | | Descriptor: | CHLORIDE ION, Engineered Retroaldolase, IMIDAZOLE | | Authors: | Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F. | | Deposit date: | 2021-06-09 | | Release date: | 2021-11-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
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