8AUD
 
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4YWF
 | | AbyA5 | | Descriptor: | AbyA5 | | Authors: | Byrne, M.J, Race, P.R. | | Deposit date: | 2015-03-20 | | Release date: | 2016-06-29 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis.
Angew.Chem.Int.Ed.Engl., 58, 2019
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4Y9U
 | | rat CYPOR mutant - G143del | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Xia, C, Kim, J.J.P. | | Deposit date: | 2015-02-17 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
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5AKF
 | | THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE CODING STRAND A AND IN THE PRESENCE OF 2MM MN | | Descriptor: | 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3', ... | | Authors: | Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J. | | Deposit date: | 2015-03-03 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
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3J7X
 | | Capsid Expansion Mechanism Of Bacteriophage T7 Revealed By Multi-State Atomic Models Derived From Cryo-EM Reconstructions | | Descriptor: | Major capsid protein 10A | | Authors: | Guo, F, Liu, Z, Fang, P.A, Zhang, Q, Wright, E.T, Wu, W, Zhang, C, Vago, F, Ren, Y, Jakata, J, Chiu, W, Serwer, P, Jiang, W. | | Deposit date: | 2014-08-12 | | Release date: | 2014-10-15 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Capsid expansion mechanism of bacteriophage T7 revealed by multistate atomic models derived from cryo-EM reconstructions.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2WI6
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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5JIQ
 | | Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'-tetrahydroxybenzophenone (BP2) | | Descriptor: | GLYCEROL, SODIUM ION, Transthyretin, ... | | Authors: | Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | | Deposit date: | 2016-04-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
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6BQP
 | | Crystal Structure of the Human CAMKK2B in complex with Crenolanib | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, Calcium/calmodulin-dependent protein kinase kinase 2 | | Authors: | Counago, R.M, de Souza, G.P, dos Reis, C.V, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-28 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Human CAMKK2B in complex with Crenolanib
To Be Published
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5O7X
 | | CRYSTAL STRUCTURE OF S. CEREVISIAE CORE FACTOR AT 3.2A RESOLUTION | | Descriptor: | MAGNESIUM ION, RNA polymerase I-specific transcription initiation factor RRN11, RNA polymerase I-specific transcription initiation factor RRN6, ... | | Authors: | Engel, C, Gubbey, T, Neyer, S, Sainsbury, S, Oberthuer, C, Baejen, C, Bernecky, C, Cramer, P. | | Deposit date: | 2017-06-09 | | Release date: | 2017-08-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Basis of RNA Polymerase I Transcription Initiation.
Cell, 169, 2017
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5LVH
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1XY0
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5JH7
 | | Tubulin-Eribulin complex | | Descriptor: | (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Doodhi, H, Prota, A.E, Rodriguez-Garcia, R, Xiao, H, Custar, D.W, Bargsten, K, Katrukha, E.A, Hilbert, M, Hua, S, Jiang, K, Grigoriev, I, Yang, C.-P.H, Cox, D, Band Horwitz, S, Kapitein, L.C, Akhmanova, A, Steinmetz, M.O. | | Deposit date: | 2016-04-20 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Termination of Protofilament Elongation by Eribulin Induces Lattice Defects that Promote Microtubule Catastrophes.
Curr.Biol., 26, 2016
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2K7E
 | | NMR structure of the human tRNALys3 bound to the HIV genome Loop I | | Descriptor: | RNA (5'-R(*CP*UP*(SUR)P*UP*UP*AP*AP*(PSU)P*CP*UP*GP*C)-3'), RNA (5'-R(*GP*CP*GP*GP*UP*GP*UP*AP*AP*AP*AP*G)-3') | | Authors: | Bilbille, Y, Vendeix, F.P.A, Guenther, R, Malkiewicz, A, Ariza, X, Vilarrasa, J, Agris, P. | | Deposit date: | 2008-08-09 | | Release date: | 2008-10-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of the human tRNALys3 anticodon bound to the HIV genome is stabilized by modified nucleosides and adjacent mismatch base pairs.
Nucleic Acids Res., 37, 2009
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6PU5
 | | MicroED structure of proteinase K recorded on CetaD | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Hattne, J, Martynowycz, M.W, Penzcek, P.A, Gonen, T. | | Deposit date: | 2019-07-17 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.7 Å) | | Cite: | MicroED with the Falcon III direct electron detector.
Iucrj, 6, 2019
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8W68
 | | Crystal structure of Q9PR55 at pH 6.0 (use NMR model) | | Descriptor: | Uncharacterized protein UU089.1 | | Authors: | Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D. | | Deposit date: | 2023-08-28 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot.
J.Biol.Chem., 300, 2023
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8AXS
 | | Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota | | Descriptor: | 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ... | | Authors: | Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2022-08-31 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
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8AXI
 | | Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota | | Descriptor: | 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ... | | Authors: | Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P. | | Deposit date: | 2022-08-31 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
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8AWI
 | | Crystal structure of Human Transthyretin at 1.15 Angstrom resolution | | Descriptor: | SODIUM ION, Transthyretin | | Authors: | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | Deposit date: | 2022-08-29 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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3J3Q
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5JIM
 | | Crystal Structure of Human Transthyretin in Complex with Perfluoroktansulfonsyra (PFOS) | | Descriptor: | SODIUM ION, Transthyretin, heptadecafluoro-1-octanesulfonic acid | | Authors: | Begum, A, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | | Deposit date: | 2016-04-22 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
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6CA8
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6QH5
 | | AP2 clathrin adaptor mu2T156-phosphorylated core in closed conformation | | Descriptor: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | Authors: | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | | Deposit date: | 2019-01-15 | | Release date: | 2019-09-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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5M4L
 | | Crystal Structure of Wild-Type Human Prolidase with Mg ions and LeuPro ligand | | Descriptor: | GLYCEROL, HYDROXIDE ION, LEUCINE, ... | | Authors: | Wilk, P, Weiss, M.S, Mueller, U, Dobbek, H. | | Deposit date: | 2016-10-18 | | Release date: | 2017-07-12 | | Last modified: | 2020-04-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Substrate specificity and reaction mechanism of human prolidase.
FEBS J., 284, 2017
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5IQ9
 | | Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide. | | Descriptor: | 10E8v4 Heavy Chain, 10E8v4 Light Chain, gp41 MPER peptide | | Authors: | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | | Deposit date: | 2016-03-10 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design.
J.Virol., 90, 2016
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7ETF
 | | Crystal structure of AbHpaI-Mn-pyruvate-succinic semialdehyde complex, Class II aldolase, HpaI from Acinetobacter baumannii | | Descriptor: | 4-hydroxy-2-oxoheptanedioate aldolase, 4-oxobutanoic acid, CALCIUM ION, ... | | Authors: | Watthaisong, P, Binlaeh, A, Jaruwat, A, Chaiyen, P, Chitnumsub, P, Maenpuen, S. | | Deposit date: | 2021-05-12 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Catalytic and structural insights into a stereospecific and thermostable Class II aldolase HpaI from Acinetobacter baumannii.
J.Biol.Chem., 297, 2021
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