7LD4
| Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist | Descriptor: | ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A. | Deposit date: | 2021-01-12 | Release date: | 2021-09-08 | Last modified: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia. Nature, 597, 2021
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9C0Y
| Clathrin terminal domain complexed with Pitstop 2c | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ... | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | Deposit date: | 2024-05-28 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
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9C0Z
| Clathrin terminal domain complexed with pitstop 2d | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | Deposit date: | 2024-05-28 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
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7L91
| Structure of Metallo Beta-Lactamase L1 in a Complex with Hydrolyzed Moxalactam Determined by Pink-Beam Serial Crystallography | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Vukica, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-01 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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2Y1O
| Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies | Descriptor: | (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Tomasic, T, Sink, R, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Kikelj, D, Peterlin-Masic, L. | Deposit date: | 2010-12-09 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus. ACS Med Chem Lett, 3, 2012
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2Y59
| Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein | Descriptor: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Sauvage, E, Zervosen, A, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | Deposit date: | 2011-01-12 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein. J.Am.Chem.Soc., 133, 2011
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8T55
| Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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5E9O
| Spirochaeta thermophila X module - CBM64 - mutant G504A | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Cellulase, glycosyl hydrolase family 5, ... | Authors: | Schiefner, A, Skerra, A. | Deposit date: | 2015-10-15 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for cellulose binding by the type A carbohydrate-binding module 64 of Spirochaeta thermophila. Proteins, 84, 2016
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2XDG
| Crystal structure of the extracellular domain of human growth hormone releasing hormone receptor. | Descriptor: | 1,2-ETHANEDIOL, GROWTH HORMONE-RELEASING HORMONE RECEPTOR, MAGNESIUM ION | Authors: | Pike, A.C.W, Quigley, A, Barr, A.J, Burgess Brown, N, Shrestha, L, Yang, J, Chaikuad, A, Vollmar, M, Muniz, J.R.C, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P. | Deposit date: | 2010-04-30 | Release date: | 2010-06-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the Extracellular Domain of Human Growth Hormone Releasing Hormone Receptor. To be Published
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4FBY
| fs X-ray diffraction of Photosystem II | 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: | Kern, J, Alonso-Mori, R, Hellmich, J, Tran, R, Hattne, J, Laksmono, H, Gloeckner, C, Echols, N, Sierra, R.G, Sellberg, J, Lassalle-Kaiser, B, Gildea, R.J, Glatzel, P, Grosse-Kunstleve, R.W, Latimer, M.J, Mcqueen, T.A, Difiore, D, Fry, A.R, Messerschmidt, M.M, Miahnahri, A, Schafer, D.W, Seibert, M.M, Sokaras, D, Weng, T.-C, Zwart, P.H, White, W.E, Adams, P.D, Bogan, M.J, Boutet, S, Williams, G.J, Messinger, J, Sauter, N.K, Zouni, A, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2012-05-23 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (6.56 Å) | Cite: | Room temperature femtosecond X-ray diffraction of photosystem II microcrystals. Proc.Natl.Acad.Sci.USA, 109, 2012
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4V94
| Molecular architecture of the eukaryotic chaperonin TRiC/CCT derived by a combination of chemical crosslinking and mass-spectrometry, XL-MS | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Leitner, A, Joachimiak, L.A, Bracher, A, Walzthoeni, T, Chen, B, Monkemeyer, L, Pechmann, S, Holmes, S, Cong, Y, Ma, B, Ludtke, S, Chiu, W, Hartl, F.U, Aebersold, R, Frydman, J. | Deposit date: | 2012-01-11 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | The Molecular Architecture of the Eukaryotic Chaperonin TRiC/CCT. Structure, 20, 2012
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4WCT
| The crystal structure of Fructosyl amine: oxygen oxidoreductase (Amadoriase I) from Aspergillus fumigatus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase | Authors: | Rigoldi, F, Gautieri, A, Dalle Vedove, A, Lucarelli, A.P, Vesentini, S, Parisini, E. | Deposit date: | 2014-09-05 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complex. Proteins, 84, 2016
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4F80
| Crystal Structure of the human BTN3A1 ectodomain | Descriptor: | Butyrophilin subfamily 3 member A1 | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | Deposit date: | 2012-05-16 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies J.Biol.Chem., 287, 2012
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4V16
| KlHsv2 with loop 6CD replaced by a Gly-Ser linker | Descriptor: | SVP1-LIKE PROTEIN 2 | Authors: | Busse, R.A, Scacioc, A, Krick, R, Perez-Lara, A, Thumm, M, Kuhnel, K. | Deposit date: | 2014-09-25 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Characterization of Proppin-Phosphoinositide Binding and Role of Loop 6Cd in Proppin-Membrane Binding. Biophys.J., 108, 2015
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4EZ8
| Crystal structure of mouse thymidylate sythase in ternary complex with N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate and the cofactor product, dihydrofolate | Descriptor: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), DIHYDROFOLIC ACID, GLYCEROL, ... | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Wilk, P, Kierdaszuk, B, Banaszak, K, Gorecka, K, Rode, W. | Deposit date: | 2012-05-02 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystal structures of complexes of mouse thymidylate synthase
crystallized with N4-OH-dCMP alone or in the presence of
N5,10-methylenetetrahydrofolate Pteridines, 2013
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6YWO
| CutA in complex with A3 RNA | Descriptor: | CHLORIDE ION, CutA, MAGNESIUM ION, ... | Authors: | Malik, D, Kobylecki, K, Krawczyk, P, Poznanski, J, Jakielaszek, A, Napiorkowska, A, Dziembowski, A, Tomecki, R, Nowotny, M. | Deposit date: | 2020-04-29 | Release date: | 2020-08-05 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine. Nucleic Acids Res., 48, 2020
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4FRC
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4UQX
| Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, HSIE1 | Authors: | Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A. | Deposit date: | 2014-06-25 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes. J.Biol.Chem., 289, 2014
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4UTS
| Room temperature crystal structure of the fast switching M159T mutant of fluorescent protein Dronpa | Descriptor: | FLUORESCENT PROTEIN DRONPA | Authors: | Kaucikas, M, Fitzpatrick, A, Bryan, E, Struve, A, Henning, R, Kosheleva, I, Srajer, V, van Thor, J.J. | Deposit date: | 2014-07-22 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Room Temperature Crystal Structure of the Fast Switching M159T Mutant of the Fluorescent Protein Dronpa. Proteins, 83, 2015
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2FO3
| Plasmodium vivax ubiquitin conjugating enzyme E2 | Descriptor: | Ubiquitin-conjugating enzyme | Authors: | Dong, A, Zhao, Y, Lew, J, Kozieradski, I, Alam, Z, Melone, M, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Bochkarev, A, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-12 | Release date: | 2006-01-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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4V47
| Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the EF-G.GTP state of E. coli 70S ribosome | Descriptor: | 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J. | Deposit date: | 2003-05-06 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (12.3 Å) | Cite: | Study of the structural dynamics of the E. coli 70S ribosome using real space refinement Cell(Cambridge,Mass.), 113, 2003
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4FFP
| PylC in complex with L-lysine-Ne-D-ornithine (cocrystallized with L-lysine and D-ornithine) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ... | Authors: | Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2012-06-01 | Release date: | 2012-09-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution. J.Mol.Biol., 424, 2012
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4USS
| Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione | Descriptor: | GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A. | Deposit date: | 2014-07-13 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones. FEBS Lett., 589, 2015
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5DE1
| Crystal structure of human IDH1 in complex with GSK321A | Descriptor: | (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Concha, N.O, Smallwood, A, Qi, H. | Deposit date: | 2015-08-25 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New IDH1 mutant inhibitors for treatment of acute myeloid leukemia. Nat.Chem.Biol., 11, 2015
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3UI4
| 0.8 A resolution crystal structure of human Parvulin 14 | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SULFATE ION | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2011-12-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.8 Å) | Cite: | Crystallographic proof for an extended hydrogen-bonding network in small prolyl isomerases. J.Am.Chem.Soc., 133, 2011
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