5JWJ
 
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5KS5
 | | Structure of the C-terminal Helical Repeat Domain of Elongation Factor 2 Kinase | | Descriptor: | Eukaryotic elongation factor 2 kinase | | Authors: | Piserchio, A, Will, N, Snyder, I, Ferguson, S.B, Giles, D.H, Dalby, K.N, Ghose, R. | | Deposit date: | 2016-07-07 | | Release date: | 2016-09-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-Terminal Helical Repeat Domain of Eukaryotic Elongation Factor 2 Kinase.
Biochemistry, 55, 2016
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4WMG
 | | Structure of hen egg-white lysozyme from a microfludic harvesting device using synchrotron radiation (2.5A) | | Descriptor: | Lysozyme C | | Authors: | Lyubimov, A.Y, Murray, T.D, Koehl, A, Uervirojnangkoorn, M, Zeldin, O.B, Cohen, A.E, Soltis, S.M, Baxter, E.M, Brewster, A.S, Sauter, N.K, Brunger, A.T, Berger, J.M. | | Deposit date: | 2014-10-08 | | Release date: | 2015-04-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array.
Acta Crystallogr.,Sect.D, 71, 2015
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4OHU
 | | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT92 | | Descriptor: | 2-(2-bromophenoxy)-5-hexylphenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Yu, W, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-01-18 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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7AV1
 | | LTA4 hydrolase in complex with fragment2 | | Descriptor: | 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2020-11-03 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
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4OYR
 | | Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding | | Descriptor: | 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2995 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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4OXY
 | | Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA | | Descriptor: | 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-09 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3501 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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1JMQ
 | | YAP65 (L30K mutant) WW domain in Complex with GTPPPPYTVG peptide | | Descriptor: | 65 KDA YES-ASSOCIATED PROTEIN, WW Domain Binding Protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-07-19 | | Release date: | 2001-12-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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4X6R
 | | An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Wu, J, Taylor, S.S. | | Deposit date: | 2014-12-09 | | Release date: | 2015-07-22 | | Last modified: | 2020-06-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
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2C5W
 | | PENICILLIN-BINDING PROTEIN 1A (PBP-1A) ACYL-ENZYME COMPLEX (CEFOTAXIME) FROM STREPTOCOCCUS PNEUMONIAE | | Descriptor: | 1,2-ETHANEDIOL, CEFOTAXIME, C3' cleaved, ... | | Authors: | Contreras-Martel, C, Job, V, Di Guilmi, A.-M, Vernet, T, Dideberg, O, Dessen, A. | | Deposit date: | 2005-11-02 | | Release date: | 2005-12-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of Penicillin-Binding Protein 1A (Pbp1A) Reveals a Mutational Hotspot Implicated in Beta-Lactam Resistance in Streptococcus Pneumoniae.
J.Mol.Biol., 355, 2006
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2BV8
 | | The crystal structure of Phycocyanin from Gracilaria chilensis. | | Descriptor: | C-PHYCOCYANIN ALPHA SUBUNIT, C-PHYCOCYANIN BETA SUBUNIT, PHYCOCYANOBILIN, ... | | Authors: | Contreras-Martel, C, Martinez-Oyanedel, J, Poo-Caama, G, Bruna, C, Bunster, M. | | Deposit date: | 2005-06-23 | | Release date: | 2006-08-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | The Structure at 2 A Resolution of Phycocyanin from Gracilaria Chilensis and the Energy Transfer Network in a Pc-Pc Complex.
Biophys.Chem., 125, 2007
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1K9Q
 | | YAP65 WW domain complexed to N-(n-octyl)-GPPPY-NH2 | | Descriptor: | 65 kDa Yes-associated protein, N-OCTANE, WW domain binding protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-10-30 | | Release date: | 2001-12-28 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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1K9R
 | | YAP65 WW domain complexed to Acetyl-PLPPY | | Descriptor: | 65 kDa Yes-associated protein, WW domain binding protein-1 | | Authors: | Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H. | | Deposit date: | 2001-10-30 | | Release date: | 2001-12-28 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
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2WYF
 | | Crystal structure of PA-IL lectin complexed with aGal12bGal-O-Met at 2.4 A resolution | | Descriptor: | CALCIUM ION, PA-I GALACTOPHILIC LECTIN, alpha-D-galactopyranose, ... | | Authors: | Nurisso, A, Blanchard, B, Varrot, A, Imberty, A. | | Deposit date: | 2009-11-16 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Role of Water Molecules in Structure and Energetics of Pseudomonas Aeruginosa Lectin I Interacting with Disaccharides.
J.Biol.Chem., 285, 2010
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1Z9S
 | | Crystal Structure of the native chaperone:subunit:subunit Caf1M:Caf1:Caf1 complex | | Descriptor: | Chaperone protein Caf1M, F1 capsule antigen | | Authors: | Zavialov, A.V, Tischenko, V.M, Fooks, L.J, Brandsdal, B.O, Aqvist, J, Zav'yalov, V.P, Macintyre, S, Knight, S.D. | | Deposit date: | 2005-04-04 | | Release date: | 2005-06-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Resolving the energy paradox of chaperone/usher-mediated fibre assembly
Biochem.J., 389, 2005
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4OXK
 | | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8429 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
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6ZND
 | | [1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2 Inhibitors | | Descriptor: | MAGNESIUM ION, ZINC ION, [(3~{S})-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone, ... | | Authors: | Tresadern, G, Leonard, P.M. | | Deposit date: | 2020-07-06 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | [1,2,4]Triazolo[1,5- a ]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration.
J.Med.Chem., 63, 2020
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6ZQZ
 | | [1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2 Inhibitors | | Descriptor: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Tresadern, G, Leonard, P.M. | | Deposit date: | 2020-07-10 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | [1,2,4]Triazolo[1,5- a ]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration.
J.Med.Chem., 63, 2020
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1Y2Y
 | | Structural Characterization of Nop10p using Nuclear Magnetic Resonance Spectroscopy | | Descriptor: | Ribosome biogenesis protein Nop10 | | Authors: | Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M, Feigon, J. | | Deposit date: | 2004-11-23 | | Release date: | 2005-12-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA
RNA, 12, 2006
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6J8M
 | | Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Ueno, G, Shimada, A, Yamashita, E, Hasegawa, K, Kumasaka, T, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T, Yamamoto, M. | | Deposit date: | 2019-01-20 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays.
J.Synchrotron Radiat., 26, 2019
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5HI8
 | | Structure of T-type Phycobiliprotein Lyase CpeT from Prochlorococcus phage P-HM1 | | Descriptor: | ACETATE ION, Antenna protein, MAGNESIUM ION | | Authors: | Gasper, R, Schwach, J, Frankenberg-Dinkel, N, Hofmann, E. | | Deposit date: | 2016-01-11 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Distinct Features of Cyanophage-encoded T-type Phycobiliprotein Lyase Phi CpeT: THE ROLE OF AUXILIARY METABOLIC GENES.
J. Biol. Chem., 292, 2017
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4UYN
 | | SAR156497 an exquisitely selective inhibitor of Aurora kinases | | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | | Deposit date: | 2014-09-02 | | Release date: | 2014-11-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
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1D5D
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7ZKR
 | | Human GABARAP in complex with stapled peptide Pen3-ortho | | Descriptor: | CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ... | | Authors: | Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H. | | Deposit date: | 2022-04-13 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
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7ZL7
 | | Human GABARAP in complex with stapled peptide Pen8-ortho | | Descriptor: | CHLORIDE ION, Gamma-aminobutyric acid receptor-associated protein, ORTHO-XYLENE, ... | | Authors: | Ueffing, A, Brown, H, Willbold, D, Kritzer, J.A, Weiergraeber, O.H. | | Deposit date: | 2022-04-14 | | Release date: | 2022-08-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Based Design of Stapled Peptides That Bind GABARAP and Inhibit Autophagy.
J.Am.Chem.Soc., 144, 2022
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