7AY8
| NMR solution structure of Tbo-IT2 | Descriptor: | Tbo-IT2 | Authors: | Mineev, K.S, Kornilov, F.D, Lushpa, V.A, Korolkova, Y.A, Maleeva, E.E, Andreev, Y.A, Kozlov, S.A, Arseniev, A.S. | Deposit date: | 2020-11-11 | Release date: | 2021-03-03 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | New Insectotoxin from Tibellus Oblongus Spider Venom Presents Novel Adaptation of ICK Fold. Toxins, 13, 2021
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3KFL
| Leishmania major methionyl-tRNA synthetase in complex with methionyladenylate and pyrophosphate | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2009-10-27 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Leishmania major methionyl-tRNA synthetase in complex with intermediate products methionyladenylate and pyrophosphate. Biochimie, 93, 2011
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7BHO
| DNA origami signpost designed model | Descriptor: | DNA, DNA scaffold | Authors: | Silvester, E, Vollmer, B, Prazak, V, Vasishtan, D, Machala, E.A, Whittle, C, Black, S, Bath, J, Turberfield, A.J, Gruenewald, K, Baker, L.A. | Deposit date: | 2021-01-11 | Release date: | 2021-04-14 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (36.439999 Å) | Cite: | DNA origami signposts for identifying proteins on cell membranes by electron cryotomography. Cell, 184, 2021
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1A0D
| XYLOSE ISOMERASE FROM BACILLUS STEAROTHERMOPHILUS | Descriptor: | MANGANESE (II) ION, XYLOSE ISOMERASE | Authors: | Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D. | Deposit date: | 1997-11-28 | Release date: | 1998-06-03 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile To be Published
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7BHT
| Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site | Descriptor: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.052 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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6T8X
| Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide | Descriptor: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide, CHLORIDE ION, ... | Authors: | Beaumont, E.J, Barker, J. | Deposit date: | 2019-10-25 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide To Be Published
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7BHX
| Crystal structure of MAT2a bound to allosteric inhibitor (compound 31) | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-pyridin-3-yl-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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1A3P
| ROLE OF THE 6-20 DISULFIDE BRIDGE IN THE STRUCTURE AND ACTIVITY OF EPIDERMAL GROWTH FACTOR, NMR, 20 STRUCTURES | Descriptor: | EPIDERMAL GROWTH FACTOR | Authors: | Barnham, K, Torres, A, Alewood, D, Alewood, P, Domagala, T, Nice, E, Norton, R. | Deposit date: | 1998-01-22 | Release date: | 1998-07-29 | Last modified: | 2018-03-14 | Method: | SOLUTION NMR | Cite: | Role of the 6-20 disulfide bridge in the structure and activity of epidermal growth factor. Protein Sci., 7, 1998
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5LXH
| GABARAP-L1 ATG4B LIR Complex | Descriptor: | Cysteine protease ATG4B, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein-like 1, ... | Authors: | Mouilleron, S, Skytte Rasmussen, M, Kumar Shrestha, B, Wirth, M, Bowitz Larsen, K, Abudu Princely, Y, Sjottem, E, Tooze, S, Lamark, T, Johansen, T, Lee, R. | Deposit date: | 2016-09-21 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | ATG4B contains a C-terminal LIR motif important for binding and efficient cleavage of mammalian orthologs of yeast Atg8. Autophagy, 13, 2017
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6ZQB
| Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state B2 | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | Authors: | Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R. | Deposit date: | 2020-07-09 | Release date: | 2020-09-23 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | 90 S pre-ribosome transformation into the primordial 40 S subunit. Science, 369, 2020
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8QMO
| Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | Authors: | Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J. | Deposit date: | 2023-09-24 | Release date: | 2024-01-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds. J.Mol.Biol., 436, 2024
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6ZRY
| 6-dimethylallyl tryptophan synthase | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DMATS type aromatic prenyltransferase, ... | Authors: | Ostertag, E, Stehle, T, Zocher, G. | Deposit date: | 2020-07-15 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.652 Å) | Cite: | Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases. J.Mol.Biol., 433, 2020
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7A04
| Structure of human CKa1 in complex with compound b | Descriptor: | 1,2-ETHANEDIOL, 1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium, Choline kinase alpha | Authors: | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | Deposit date: | 2020-08-06 | Release date: | 2020-09-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem., 207, 2020
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6ZWC
| Z-SBTub2 photoswitch bound to tubulin-DARPin D1 complex | Descriptor: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Wranik, M, Weinert, T, Olieric, N, Gao, L, Kraus, Y.C.M, Bingham, R, Ntouliou, E, Ahlfeld, J, Thorn-Seshold, O, Steinmetz, M.O, Standfuss, J. | Deposit date: | 2020-07-28 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | A Robust, GFP-Orthogonal Photoswitchable Inhibitor Scaffold Extends Optical Control over the Microtubule Cytoskeleton. Cell Chem Biol, 28, 2021
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5M59
| Crystal structure of Chaetomium thermophilum Brr2 helicase core in complex with Prp8 Jab1 domain | Descriptor: | ACETATE ION, Pre-mRNA splicing helicase-like protein, Putative pre-mRNA splicing factor | Authors: | Absmeier, E, Becke, C, Wollenhaupt, J, Santos, K.F, Wahl, M.C. | Deposit date: | 2016-10-20 | Release date: | 2016-12-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2. Cell Cycle, 16, 2017
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1BNB
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1RCY
| RUSTICYANIN (RC) FROM THIOBACILLUS FERROOXIDANS | Descriptor: | COPPER (II) ION, RUSTICYANIN | Authors: | Walter, R.L, Friedman, A.M, Ealick, S.E, Blake II, R.C, Proctor, P, Shoham, M. | Deposit date: | 1996-04-10 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multiple wavelength anomalous diffraction (MAD) crystal structure of rusticyanin: a highly oxidizing cupredoxin with extreme acid stability. J.Mol.Biol., 263, 1996
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1FTW
| STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | Descriptor: | (5S,7R,8S,9S,10R)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | Deposit date: | 2000-09-13 | Release date: | 2000-10-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase. Proteins, 61, 2005
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8YW3
| Cryo-EM structure of the retatrutide-bound human GLP-1R-Gs complex | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Li, W.Z, Zhou, Q.T, Cong, Z.T, Yuan, Q.N, Li, W.X, Zhao, F.H, Xu, H.E, Zhao, L.H, Yang, D.H, Wang, M.W. | Deposit date: | 2024-03-29 | Release date: | 2024-09-18 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Structural insights into the triple agonism at GLP-1R, GIPR and GCGR manifested by retatrutide. Cell Discov, 10, 2024
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6ZNN
| The pointed end complex of dynactin bound to Hook3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ARP1 actin related protein 1 homolog A, ... | Authors: | Lau, C.K, Lacey, S.E, Carter, A.P. | Deposit date: | 2020-07-06 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM reveals the complex architecture of dynactin's shoulder region and pointed end. Embo J., 40, 2021
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6TIM
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7JJM
| Crystal structure of Importin alpha 2 in complex with LSD1 NLS | Descriptor: | CHLORIDE ION, Importin subunit alpha-1, Lysine-specific histone demethylase 1A | Authors: | Tu, W.J, McGuaig, R, Tan, H.Y.A, Hardy, C, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S. | Deposit date: | 2020-07-27 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch. Front Immunol, 11, 2020
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7AB8
| Crystal structure of a GDNF-GFRalpha1 complex | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Adams, S.E, Earl, C.P, Purkiss, A.G, McDonald, N.Q. | Deposit date: | 2020-09-07 | Release date: | 2021-01-13 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing. Structure, 29, 2021
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7BHQ
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8QN0
| Soluble epoxide hydrolase in complex with RK3 | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-25 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes. Science, 383, 2024
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