8BSK
 
 | | Human GLS in complex with compound 3 | | Descriptor: | Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ... | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
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3TDZ
 | | N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex: Structure of a human Cul1WHB-Dcn1P-stapled acetylated Ubc12N complex | | Descriptor: | Cullin-1, DCN1-like protein 1, STAPLED PEPTIDE | | Authors: | Scott, D.C, Monda, J.K, Bennett, E.J, Harper, J.W, Schulman, B.A. | | Deposit date: | 2011-08-11 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N-terminal acetylation acts as an avidity enhancer within an interconnected multiprotein complex.
Science, 334, 2011
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8BSL
 | | Human GLS in complex with compound 12 | | Descriptor: | Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
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5W56
 | | Structure of Apo AztC | | Descriptor: | GLYCEROL, Periplasmic solute binding protein, SODIUM ION | | Authors: | Avalos, D, Yukl, E.T. | | Deposit date: | 2017-06-14 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
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5W63
 | | Crystal structure of channel catfish BAX | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator bax, SULFATE ION | | Authors: | Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S. | | Deposit date: | 2017-06-16 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.436 Å) | | Cite: | Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
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8BSN
 | | Human GLS in complex with compound 27 | | Descriptor: | (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ... | | Authors: | Debreczeni, J.E. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
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2EEK
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6DPV
 | | Undecorated GDP microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhang, R, Nogales, E. | | Deposit date: | 2018-06-09 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Separating the effects of nucleotide and EB binding on microtubule structure.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3TH7
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8BSH
 | | COPII inner coat | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein transport protein SEC23, ... | | Authors: | Zanetti, G, Pyle, E.W. | | Deposit date: | 2022-11-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A Bayesian approach to single-particle electron cryo-tomography in RELION-4.0.
Elife, 11, 2022
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8B58
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5W7H
 | | Supercharged arPTE variant R5 | | Descriptor: | Phosphotriesterase, ZINC ION | | Authors: | Campbell, E, Grant, J, Wang, Y, Sandhu, M, Williams, R.J, Nisbet, D.R, Perriman, A, Lupton, D, Jackson, C.J. | | Deposit date: | 2017-06-19 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Hydrogel-Immobilized Supercharged Proteins
Adv Biosyst, 2018
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5WCW
 | | Phosphotriesterase variant S3 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | | Deposit date: | 2017-07-02 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.457 Å) | | Cite: | Phosphotriesterase variant S4
To Be Published
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4NC3
 | | Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase. | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ... | | Authors: | Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2013-10-23 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
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5WH8
 | | Cellulase Cel5C_n | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PENTAETHYLENE GLYCOL, ... | | Authors: | Koropatkin, N.M, Pope, P.B, Naas, A.E. | | Deposit date: | 2017-07-15 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | "Candidatus Paraporphyromonas polyenzymogenes" encodes multi-modular cellulases linked to the type IX secretion system.
Microbiome, 6, 2018
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4NWN
 | | Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28 | | Descriptor: | Propanediol utilization: polyhedral bodies pduT, Uncharacterized protein | | Authors: | McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. | | Deposit date: | 2013-12-06 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
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4NEW
 | | Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | | Descriptor: | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ... | | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | | Deposit date: | 2013-10-30 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
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5WIA
 | | Crystal structure of the segment, GNNSYS, from the low complexity domain of TDP-43, residues 370-375 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Trinh, H, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2017-07-18 | | Release date: | 2018-04-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.002 Å) | | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation.
Nat. Struct. Mol. Biol., 25, 2018
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5WEK
 | | GluA2 bound to antagonist ZK and GSG1L in digitonin, state 1 | | Descriptor: | Chimera of Glutamate receptor 2,Germ cell-specific gene 1-like protein, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | | Deposit date: | 2017-07-10 | | Release date: | 2017-08-02 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Channel opening and gating mechanism in AMPA-subtype glutamate receptors.
Nature, 549, 2017
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6DZV
 | | Wild type human serotonin transporter in complex with 15B8 Fab bound to ibogaine in occluded conformation | | Descriptor: | (5beta)-12-methoxyibogamine, 15B8 antibody heavy chain, 15B8 antibody light chain, ... | | Authors: | Coleman, J.A, Yang, D, Gouaux, E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-04-24 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
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6E1O
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3THS
 | | Crystal structure of rat native liver Glycine N-methyltransferase complexed with 5-methyltetrahydrofolate pentaglutamate | | Descriptor: | 5-methyltetrahydrofolate pentaglutamate, BETA-MERCAPTOETHANOL, Glycine N-methyltransferase, ... | | Authors: | Luka, Z, Pakhomova, S, Loukachevitch, L.V, Newcomer, M.E, Wagner, C. | | Deposit date: | 2011-08-19 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Differences in folate-protein interactions result in differing inhibition of native rat liver and recombinant glycine N-methyltransferase by 5-methyltetrahydrofolate.
Biochim.Biophys.Acta, 1824, 2011
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8BIG
 | | O-Methyltransferase Plu4895 in complex with SAH | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Structure, 31, 2023
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2EH8
 | | Crystal structure of the complex of humanized KR127 fab and PRES1 peptide epitope | | Descriptor: | HUMANIZED KR127 FAB, HEAVY CHAIN, LIGHT CHAIN, ... | | Authors: | Chi, S.-W, Kim, S.-J, Maeng, C.-Y, Hong, H.J, Ryu, S.-E. | | Deposit date: | 2007-03-05 | | Release date: | 2008-01-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Broadly neutralizing anti-hepatitis B virus antibody reveals a complementarity determining region H3 lid-opening mechanism
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6E0H
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