5TIS
 
 | | Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J. | | Deposit date: | 2016-10-03 | | Release date: | 2016-11-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25000381 Å) | | Cite: | Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
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5NKZ
 | | Crystal structure of H. polymorpha ubiquitin conjugating enzyme Pex4p in complex with soluble domain of Pex22p | | Descriptor: | Peroxin 22, Ubiquitin-conjugating enzyme E2-21 kDa | | Authors: | Danda, N, Lunev, S, Ali, A, Groves, M.R, Williams, C. | | Deposit date: | 2017-04-03 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural insights into K48-linked ubiquitin chain formation by the Pex4p-Pex22p complex.
Biochem. Biophys. Res. Commun., 496, 2018
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6S1I
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | Deposit date: | 2019-06-18 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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7K76
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6H10
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.104 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073
To be published
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6YJ1
 | | The M23 peptidase domain of the Staphylococcal phage 2638A endolysin | | Descriptor: | ORF007, ZINC ION | | Authors: | Dunne, M, Ernst, P, Sobieraj, A, Pluckthun, A, Loessner, M.J. | | Deposit date: | 2020-04-02 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | (CASP target) Crystal structure of the M23 peptidase domain of Staphylococcal phage 2638A endolysin
To Be Published
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7Z2C
 | | P. falciparum kinesin-8B motor domain in no nucleotide bound to tubulin dimer | | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | | Deposit date: | 2022-02-26 | | Release date: | 2022-10-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
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6Y11
 | | Respiratory complex I from Thermus thermophilus | | Descriptor: | DUF3197 domain-containing protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A. | | Deposit date: | 2020-02-10 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.109 Å) | | Cite: | Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
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6S24
 | | Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and the peptide 3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO, ... | | Authors: | de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R. | | Deposit date: | 2019-06-20 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3.
Nat.Chem.Biol., 16, 2020
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3NP8
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L36A at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | | Deposit date: | 2010-06-28 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6RLE
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97 | | Descriptor: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
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4UFH
 | | Mouse Galactocerebrosidase complexed with iso-galacto-fagomine IGF | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | | Deposit date: | 2015-03-17 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
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8HVQ
 | | Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis | | Descriptor: | 1,2-ETHANEDIOL, Cof-type HAD-IIB family hydrolase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kaur, H, Mahto, J.K, Kumar, P, Sharma, A.K. | | Deposit date: | 2022-12-27 | | Release date: | 2023-12-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Characterization of haloacid dehalogenase superfamily acid phosphatase from Staphylococcus lugdunensis.
Arch.Biochem.Biophys., 753, 2024
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5HCB
 | | Globular Domain of the Entamoeba histolytica calreticulin in complex with glucose | | Descriptor: | CALCIUM ION, CHLORIDE ION, Calreticulin, ... | | Authors: | Moreau, C.P, Cioci, G, Ianello, M, Laffly, E, Chouquet, A, Ferreira, A, Thielens, N.M, Gaboriaud, C. | | Deposit date: | 2016-01-04 | | Release date: | 2016-08-31 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of parasite calreticulins provide insights into their flexibility and dual carbohydrate/peptide-binding properties.
IUCrJ, 3, 2016
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7ZA5
 | | GSTF sh101 mutant | | Descriptor: | Glutathione transferase | | Authors: | Papageorgiou, A.C. | | Deposit date: | 2022-03-22 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops.
Int J Mol Sci, 23, 2022
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6NPS
 | | Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus | | Descriptor: | AxyAgu115A, CHLORIDE ION, GLYCEROL | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Yan, R, Master, E, Savchenko, A. | | Deposit date: | 2019-01-18 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural characterization of the family GH115 alpha-glucuronidase from Amphibacillus xylanus yields insight into its coordinated action with alpha-arabinofuranosidases.
N Biotechnol, 2021
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8HUC
 | | Crystal structure of PaIch (Pec1) | | Descriptor: | GLYCEROL, MaoC_dehydrat_N domain-containing protein, NITRATE ION | | Authors: | Pramanik, A, Datta, S. | | Deposit date: | 2022-12-23 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.984 Å) | | Cite: | Structural and functional insights of itaconyl-CoA hydratase from Pseudomonas aeruginosa highlight a novel N-terminal hotdog fold.
Febs Lett., 598, 2024
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7Z2A
 | | P. berghei kinesin-8B motor domain in no nucleotide state bound to tubulin dimer | | Descriptor: | Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ... | | Authors: | Liu, T, Shilliday, F, Cook, A.D, Moores, C.A. | | Deposit date: | 2022-02-26 | | Release date: | 2022-10-19 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
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5L7G
 | | MCR IN COMPLEX WITH ligand | | Descriptor: | 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ... | | Authors: | Edman, K, Aagaard, A, Backstrom, S, Xue, Y. | | Deposit date: | 2016-06-03 | | Release date: | 2016-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
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1A84
 | | NMR SOLUTION STRUCTURE OF A DNA DODECAMER DUPLEX CONTAINING A CIS-DIAMMINEPLATINUM(II) D(GPG) INTRASTRAND CROSS-LINK, THE MAJOR ADDUCT OF THE ANTICANCER DRUG CISPLATIN, 1 STRUCTURE | | Descriptor: | Cisplatin, DNA D(CCTCTG*G*TCTCC), DNA D(GGAGACCAGAGG) | | Authors: | Gelasco, A, Lippard, S.J. | | Deposit date: | 1998-04-02 | | Release date: | 1998-11-25 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of a DNA dodecamer duplex containing a cis-diammineplatinum(II) d(GpG) intrastrand cross-link, the major adduct of the anticancer drug cisplatin.
Biochemistry, 37, 1998
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4U6Q
 | | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
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6RJF
 | | Echovirus 1 intact particle | | Descriptor: | PALMITIC ACID, VP1, VP2, ... | | Authors: | Domanska, A, Ruokolainen, V.P, Pelliccia, M, Laajala, M.A, Marjomaki, V.S, Butcher, S.J. | | Deposit date: | 2019-04-26 | | Release date: | 2019-06-12 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Extracellular Albumin and Endosomal Ions Prime Enterovirus Particles for Uncoating That Can Be Prevented by Fatty Acid Saturation.
J.Virol., 93, 2019
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3NSY
 | | The multi-copper oxidase CueO with six Met to Ser mutations (M358S,M361S,M362S,M364S,M366S,M368S) | | Descriptor: | Blue copper oxidase cueO, COPPER (II) ION, CU-O-CU LINKAGE | | Authors: | Roberts, S.A, Montfort, W.R, Singh, S.K. | | Deposit date: | 2010-07-02 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
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5KZE
 | | N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus | | Descriptor: | GLYCEROL, N-acetylneuraminate lyase, SULFATE ION | | Authors: | North, R.A, Watson, A.J.A, Pearce, F.G, Muscroft-Taylor, A.C, Friemann, R, Fairbanks, A.J, Dobson, R.C.J. | | Deposit date: | 2016-07-25 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure and inhibition of N-acetylneuraminate lyase from methicillin-resistant Staphylococcus aureus.
FEBS Lett., 590, 2016
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6GFG
 | | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with D-chiro-IP6 and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-chiro inositol hexakisphosphate, Inositol-pentakisphosphate 2-kinase, ... | | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-04-30 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
J. Med. Chem., 61, 2018
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