1JC0
 
 | | CRYSTAL STRUCTURE ANALYSIS OF A REDOX-SENSITIVE GREEN FLUORESCENT PROTEIN VARIANT IN A REDUCED FORM | | Descriptor: | GREEN FLUORESCENT PROTEIN | | Authors: | Hanson, G.T, Aggeler, R, Oglesbee, D, Cannon, M, Capaldi, R.A, Tsien, R.Y, Remington, S.J. | | Deposit date: | 2001-06-07 | | Release date: | 2003-09-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Investigating mitochondrial redox potential with redox-sensitive green fluorescent protein indicators.
J.Biol.Chem., 279, 2004
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5F4N
 | | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | | Authors: | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | | Deposit date: | 2015-12-03 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737).
J.Med.Chem., 59, 2016
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6YCG
 | | Structure the bromelain protease from Ananas comosus in complex with the TLCK inhibitor | | Descriptor: | CITRIC ACID, FBSB, ISOPROPYL ALCOHOL, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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6YB8
 | | Human octameric PAICS in complex with CAIR and SAICAR | | Descriptor: | (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, ... | | Authors: | Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P. | | Deposit date: | 2020-03-16 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
J.Biol.Chem., 295, 2020
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6YDV
 | | Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library | | Descriptor: | CHLORIDE ION, JMJD1B protein, MANGANESE (II) ION, ... | | Authors: | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2020-03-21 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structure of the Jmjc Domain of Human JMJD1B in complex with FM001511a from the DSPL fragment library
To Be Published
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6YFF
 | | Virus-like particle of Beihai levi-like virus 21 | | Descriptor: | coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.089 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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6YFK
 | | Virus-like particle of bacteriophage ESE007 | | Descriptor: | CALCIUM ION, coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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8OWA
 | | SR Ca(2+)-ATPase in the E2 state complexed with the photoswitch-thapsigargin derivative AzTG-4 | | Descriptor: | ACETYL GROUP, SODIUM ION, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1, ... | | Authors: | Hjorth-Jensen, S.J, Konrad, D.B, Quistgaard, E.M.H, Hansen, L.C, Novak, A, Chu, H, Jurasek, M, Zimmermann, T, Andersen, J.L, Baran, P.S, Nissen, P, Trauner, D. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Photoswitchable inhibitors of the sarco(endo)plasmic calcium pump
To Be Published
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6YCD
 | | Structure the ananain protease from Ananas comosus covalently bound to the TLCK inhibitor | | Descriptor: | Ananain, GLYCEROL, N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, ... | | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | | Deposit date: | 2020-03-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
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6YFR
 | | Virus-like particle of bacteriophage NT-391 | | Descriptor: | coat protein | | Authors: | Rumnieks, J, Kalnins, G, Sisovs, M, Lieknina, I, Tars, K. | | Deposit date: | 2020-03-26 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes.
Sci Adv, 6, 2020
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8P5D
 | | Spraguea lophii ribosome in the closed conformation by cryo sub tomogram averaging | | Descriptor: | 40S Ribosomal protein S19, 40S ribosomal protein S0, 40S ribosomal protein S10, ... | | Authors: | Gil Diez, P, McLaren, M, Isupov, M.N, Daum, B, Conners, R, Williams, B. | | Deposit date: | 2023-05-23 | | Release date: | 2023-06-21 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (10.8 Å) | | Cite: | CryoEM reveals that ribosomes in microsporidian spores are locked in a dimeric hibernating state.
Nat Microbiol, 8, 2023
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2YFN
 | | galactosidase domain of alpha-galactosidase-sucrose kinase, AgaSK | | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, ... | | Authors: | Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T. | | Deposit date: | 2011-04-07 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities
J.Biol.Chem., 286, 2011
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5EVI
 | | Crystal Structure of Beta-Lactamase/D-Alanine Carboxypeptidase from Pseudomonas syringae | | Descriptor: | 1,2-ETHANEDIOL, Beta-Lactamase/D-Alanine Carboxypeptidase, SULFATE ION | | Authors: | Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-11-19 | | Release date: | 2016-01-13 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Beta-Lactamase/D-Alanine Carboxypeptidase from Pseudomonas syringae
To Be Published
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2YNH
 | | HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 | | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... | | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | Deposit date: | 2012-10-14 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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5EX0
 | | Crystal structure of human SMYD3 in complex with a MAP3K2 peptide | | Descriptor: | ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, MAP3K2 peptide, ... | | Authors: | Fu, W, Liu, N, Qiao, Q, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N. | | Deposit date: | 2015-11-23 | | Release date: | 2016-03-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase
J.Biol.Chem., 291, 2016
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5IVG
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5ET4
 | | Structure of RNase A-K7H/R10H in complex with 3'-CMP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTIDINE-3'-MONOPHOSPHATE, Ribonuclease pancreatic | | Authors: | Blanco, J.A, Salazar, V.A, Moussaoui, M, Boix, E. | | Deposit date: | 2015-11-17 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
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1JN9
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7RPV
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6YIH
 | | Structure of Chromosomal Passenger Complex (CPC) bound to phosphorylated Histone 3 peptide at 2.6 A. | | Descriptor: | Baculoviral IAP repeat-containing protein 5, Borealin, Histone H3.1, ... | | Authors: | Serena, M, Elliott, P.R, Barr, F.A. | | Deposit date: | 2020-04-01 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Molecular basis of MKLP2-dependent Aurora B transport from chromatin to the anaphase central spindle.
J.Cell Biol., 219, 2020
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2YNT
 | | GIM-1-3Mol native. Crystal structures of Pseudomonas aeruginosa GIM- 1: active site plasticity in metallo-beta-lactamases | | Descriptor: | GIM-1 PROTEIN, GLYCEROL, ZINC ION | | Authors: | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | | Deposit date: | 2012-10-18 | | Release date: | 2013-07-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases.
Antimicrob.Agents Chemother., 57, 2013
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2NUV
 | | Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution | | Descriptor: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2006-11-10 | | Release date: | 2006-12-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution
To be Published
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6YME
 | | Crystal structure of serine hydroxymethyltransferase from Aphanothece halophytica in the PLP-internal aldimine state | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase | | Authors: | Ruszkowski, M, Sekula, B, Nogues, I, Tramonti, A, Angelaccio, S, Contestabile, R. | | Deposit date: | 2020-04-08 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and kinetic properties of serine hydroxymethyltransferase from the halophytic cyanobacterium Aphanothece halophytica provide a rationale for salt tolerance.
Int.J.Biol.Macromol., 159, 2020
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2YPE
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309S, crystallized with 2',3'- cyclic AMP | | Descriptor: | 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, 2',3'- cyclic AMP, ... | | Authors: | Myllykoski, M, Raasakka, A, Lehtimaki, M, Han, H, Kursula, P. | | Deposit date: | 2012-10-30 | | Release date: | 2013-07-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic Analysis of the Reaction Cycle of 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase, a Unique Member of the 2H Phosphoesterase Family
J.Mol.Biol., 425, 2013
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5ET0
 | | Crystal structure of Myo3b-ARB2 in complex with Espin1-AR | | Descriptor: | Espin, Myosin-IIIb | | Authors: | Liu, H, Li, J, Liu, W, Zhang, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Myosin III-mediated cross-linking and stimulation of actin bundling activity of Espin
Elife, 5, 2016
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