6TQ4
| Crystal structure of the Orexin-1 receptor in complex with Compound 16 | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole, Orexin receptor type 1, ... | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | Deposit date: | 2019-12-16 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63, 2020
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6H0C
| Flv1 flavodiiron core from Synechocystis sp. PCC6803 | Descriptor: | CHLORIDE ION, CITRATE ANION, Putative diflavin flavoprotein A 3 | Authors: | Borges, P.T, Romao, C.V, Saraiva, L, Goncalves, V.L, Carrondo, M.A, Teixeira, M, Frazao, C. | Deposit date: | 2018-07-08 | Release date: | 2019-01-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Analysis of a new flavodiiron core structural arrangement in Flv1-Delta FlR protein from Synechocystis sp. PCC6803. J. Struct. Biol., 205, 2019
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5KJ8
| Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from synchrotron diffraction | Descriptor: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | Authors: | Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T. | Deposit date: | 2016-06-17 | Release date: | 2016-10-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex. Elife, 5, 2016
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6GSJ
| Structure of T. thermophilus 70S ribosome complex with mRNA, tRNAfMet and cognate tRNAThr in the A-site | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Rozov, A, Yusupov, M, Yusupova, G. | Deposit date: | 2018-06-14 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Tautomeric G•U pairs within the molecular ribosomal grip and fidelity of decoding in bacteria. Nucleic Acids Res., 46, 2018
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5L4R
| X-ray structure of the adduct between thaumatin and cisplatin | Descriptor: | Cisplatin, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Russo Krauss, I, Ferraro, G, Merlino, A. | Deposit date: | 2016-05-26 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Cisplatin-Protein Interactions: Unexpected Drug Binding to N-Terminal Amine and Lysine Side Chains. Inorg.Chem., 55, 2016
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6H57
| Crystal structure of S. cerevisiae DEAH-box RNA helicase Dhr1, essential for small ribosomal subunit biogenesis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Roychowdhury, A, Graille, M. | Deposit date: | 2018-07-24 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The DEAH-box RNA helicase Dhr1 contains a remarkable carboxyl terminal domain essential for small ribosomal subunit biogenesis. Nucleic Acids Res., 47, 2019
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5KVS
| Substrate Analog and NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica | Descriptor: | (4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Meneely, K.M, Lamb, A.L. | Deposit date: | 2016-07-15 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Holo Structure and Steady State Kinetics of the Thiazolinyl Imine Reductases for Siderophore Biosynthesis. Biochemistry, 55, 2016
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4ZAK
| Crystal structure of the mCD1d/DB06-1/iNKTCR ternary complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Birkholz, A.M. | Deposit date: | 2015-04-13 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.824 Å) | Cite: | A Novel Glycolipid Antigen for NKT Cells That Preferentially Induces IFN-gamma Production. J Immunol., 195, 2015
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6TIW
| Human kinesin-5 motor domain in the GSK state bound to microtubules (Conformation 2) | Descriptor: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ... | Authors: | Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | Deposit date: | 2019-11-22 | Release date: | 2020-03-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy. Structure, 28, 2020
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6T95
| Trypanothione Reductase from Leismania infantum in complex with 4a | Descriptor: | 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Carriles, A.A, Hermoso, J.A. | Deposit date: | 2019-10-25 | Release date: | 2020-11-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity. Eur.J.Med.Chem., 244, 2022
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5LA1
| The mechanism by which arabinoxylanases can recognise highly decorated xylans | Descriptor: | CALCIUM ION, Carbohydrate binding family 6, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ... | Authors: | Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, H. | Deposit date: | 2016-06-13 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans. J.Biol.Chem., 291, 2016
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4ZE1
| Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site | Descriptor: | Lanosterol 14-alpha demethylase, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-04-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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5LAE
| Crystal structure of murine N1-acetylpolyamine oxidase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Peroxisomal N(1)-acetyl-spermine/spermidine oxidase,Peroxisomal N(1)-acetyl-spermine/spermidine oxidase | Authors: | Sjogren, T, Aagaard, A, Snijder, A, Barlind, L. | Deposit date: | 2016-06-14 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Structure of Murine N(1)-Acetylspermine Oxidase Reveals Molecular Details of Vertebrate Polyamine Catabolism. Biochemistry, 56, 2017
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6TCO
| Crystal structure of the omalizumab Fab Leu158Pro light chain mutant - crystal form I | Descriptor: | 1,2-ETHANEDIOL, Omalizumab Fab Leu158Pro light chain mutant, SULFATE ION | Authors: | Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M. | Deposit date: | 2019-11-06 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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6H3U
| Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | Deposit date: | 2018-07-19 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.168 Å) | Cite: | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
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6TDU
| Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, full dimer, rotational states 1 | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Muhleip, A, Amunts, A. | Deposit date: | 2019-11-10 | Release date: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Structure of a mitochondrial ATP synthase with bound native cardiolipin. Elife, 8, 2019
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5LAY
| Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g | Descriptor: | (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | Authors: | Kessler, D, Gollner, A. | Deposit date: | 2016-06-15 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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6GQX
| KRAS-169 Q61H GPPNHP + CH-2 | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | Deposit date: | 2018-06-08 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4Z0Y
| Active aurone synthase (polyphenol oxidase), copper B : sulfohistidine ~ 1.4 : 1 | Descriptor: | Aurone synthase, COPPER (II) ION, GLYCEROL | Authors: | Molitor, C, Mauracher, S.G, Rompel, A. | Deposit date: | 2015-03-26 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases. Proc.Natl.Acad.Sci.USA, 113, 2016
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6TDV
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6TIA
| IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | Authors: | Xue, Y, Aagaard, A, Degorce, S.L. | Deposit date: | 2019-11-22 | Release date: | 2020-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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6CK4
| G96A mutant of the PRPP riboswitch from T. mathranii bound to ppGpp | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Reiss, C.W, Knappenberger, A.J, Strobel, S.A. | Deposit date: | 2018-02-27 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.097 Å) | Cite: | Structures of two aptamers with differing ligand specificity reveal ruggedness in the functional landscape of RNA. Elife, 7, 2018
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4ZER
| Crystal structure of the Onc112 antimicrobial peptide bound to the Thermus thermophilus 70S ribosome | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 16s ribosomal RNA, 23s ribosomal RNA, ... | Authors: | Seefeldt, A.C, Nguyen, F, Antunes, S, Perebaskine, N, Graf, M, Arenz, S, Inampudi, K.K, Douat, C, Guichard, G, Wilson, D.N, Innis, C.A. | Deposit date: | 2015-04-20 | Release date: | 2015-05-20 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The proline-rich antimicrobial peptide Onc112 inhibits translation by blocking and destabilizing the initiation complex. Nat.Struct.Mol.Biol., 22, 2015
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8B1P
| Crystal structure of SUDV VP40 CCS mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Becker, S. | Deposit date: | 2022-09-11 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications. Structure, 31, 2023
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6GYE
| Crystal structure of NadR protein in complex with NR | Descriptor: | Nicotinamide riboside, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, SULFATE ION | Authors: | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-06-29 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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