6ELE
| FAB Fragment. AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, fAB heavy chain, ... | Authors: | Benz, J, Weigand, S, Dengl, S, Schlothauer, T, Auer, J, Ehler, A, Kettenberger, H, Lorenz, S, Hirschheydt, T, Georges, G. | Deposit date: | 2017-09-28 | Release date: | 2017-11-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in antibody drug discovery To Be Published
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8FLW
| Cryo-EM Structure of PGT145 DU303 Fab in complex with BG505 DS-SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-12-22 | Release date: | 2023-05-31 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Improved HIV-1 neutralization breadth and potency of V2-apex antibodies by in silico design. Cell Rep, 42, 2023
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7S24
| Crystal structure of the Na+/H+ antiporter NhaA at pH 6.5 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Na(+)/H(+) antiporter NhaA, PENTAETHYLENE GLYCOL | Authors: | Drew, D, Brock, J, Uzdavinys, P, Matsuoka, R. | Deposit date: | 2021-09-03 | Release date: | 2022-08-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the Na + /H + antiporter NhaA at active pH reveals the mechanistic basis for pH sensing. Nat Commun, 13, 2022
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6RQ7
| Gadolinium MRI contrast compound binding in human plasma glycoprotein afamin - resurrection of highly anisotropic data | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rupp, B, Bowler, M.W, Naschberger, A, Juyoux, P, vonVelsen, J. | Deposit date: | 2019-05-15 | Release date: | 2019-07-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin. Acta Crystallogr D Struct Biol, 75, 2019
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8FIA
| The structure of fly Teneurin self assembly | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bandekar, S.J, Li, J, Arac, D. | Deposit date: | 2022-12-15 | Release date: | 2023-05-03 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The structure of fly Teneurin-m reveals an asymmetric self-assembly that allows expansion into zippers. Embo Rep., 24, 2023
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6RRM
| Crystal structure of LdtMt2 from Mycobacterium tuberculosis bound to Ebselen | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, GLYCEROL, ... | Authors: | Brem, J, Lohans, C, Schofield, C. | Deposit date: | 2019-05-20 | Release date: | 2019-08-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Targeting the Mycobacterium tuberculosis transpeptidase LdtMt2with cysteine-reactive inhibitors including ebselen. Chem.Commun.(Camb.), 55, 2019
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1SMS
| Structure of the Ribonucleotide Reductase Rnr4 Homodimer from Saccharomyces cerevisiae | Descriptor: | MERCURY (II) ION, Ribonucleoside-diphosphate reductase small chain 2 | Authors: | Sommerhalter, M, Voegtli, W.C, Perlstein, D.L, Ge, J, Stubbe, J, Rosenzweig, A.C. | Deposit date: | 2004-03-09 | Release date: | 2004-08-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of the yeast ribonucleotide reductase Rnr2 and Rnr4 homodimers. Biochemistry, 43, 2004
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8FS1
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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4CNG
| Crystal structure of Sulfolobus acidocaldarius TrmJ in complex with S-adenosyl-L-Homocysteine | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, SPOU RRNA METHYLASE | Authors: | Van Laer, B, Somme, J, Roovers, M, Steyaert, J, Droogmans, L, Versees, W. | Deposit date: | 2014-01-22 | Release date: | 2014-07-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Characterization of Two Homologous 2'-O-Methyltransferases Showing Different Specificities for Their tRNA Substrates. RNA, 20, 2014
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8FYO
| MicroED structure of Proteinase K from lamellae milled from multiple plasma sources | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T. | Deposit date: | 2023-01-26 | Release date: | 2023-05-24 | Method: | ELECTRON CRYSTALLOGRAPHY (1.39 Å) | Cite: | A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals. Nat Commun, 14, 2023
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3QPN
| Structure of PDE10-inhibitor complex | Descriptor: | 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | Authors: | Pandit, J, Marr, E.S. | Deposit date: | 2011-02-14 | Release date: | 2011-06-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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8FUJ
| HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2023-01-17 | Release date: | 2023-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation. Eur.J.Med.Chem., 255, 2023
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8FK5
| Cryo-EM Structure of PG9RSH DU011 Fab in complex with BG505 DS-SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2022-12-20 | Release date: | 2023-05-31 | Last modified: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Improved HIV-1 neutralization breadth and potency of V2-apex antibodies by in silico design. Cell Rep, 42, 2023
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4HK7
| Crystal structure of Cordyceps militaris IDCase in complex with uracil | Descriptor: | URACIL, Uracil-5-carboxylate decarboxylase, ZINC ION | Authors: | Xu, S, Zhu, J, Ding, J. | Deposit date: | 2012-10-15 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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4HK5
| Crystal structure of Cordyceps militaris IDCase in apo form | Descriptor: | Uracil-5-carboxylate decarboxylase, ZINC ION | Authors: | Xu, S, Zhu, J, Ding, J. | Deposit date: | 2012-10-15 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase. Cell Res., 23, 2013
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3EH2
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8FR7
| A hinge glycan regulates spike bending and impacts coronavirus infectivity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W. | Deposit date: | 2023-01-06 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | A hinge glycan regulates spike bending and impacts coronavirus infectivity To Be Published
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4HHU
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR280. | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, OR280, TETRAETHYLENE GLYCOL | Authors: | Vorobiev, S, Lew, S, Lin, Y.-R, Seetharaman, J, Castelllanos, J, Maglaqui, M, Xiao, R, Lee, D, Koga, N, Koga, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-10-10 | Release date: | 2012-10-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Engineered Protein OR280. To be Published
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7RXZ
| human Hsp90_MC domain structure | Descriptor: | Heat shock protein HSP 90-alpha | Authors: | Peng, S, Deng, J, Matts, R. | Deposit date: | 2021-08-24 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.152 Å) | Cite: | Structural basis of the key residue W320 responsible for Hsp90 conformational change. J.Biomol.Struct.Dyn., 2022
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7RY0
| human Hsp90_MC domain structure | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Peng, S, Deng, J, Matts, R. | Deposit date: | 2021-08-24 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the key residue W320 responsible for Hsp90 conformational change. J.Biomol.Struct.Dyn., 2022
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7S3P
| BD2 domain of human BRD3 bound to Physachenolide C | Descriptor: | Bromodomain-containing protein 3, CHLORIDE ION, Physachenolide C | Authors: | Horton, N.C, Chapman, E, Sivinski, J, Zerio, C, Ghadirian, N. | Deposit date: | 2021-09-07 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Physachenolide C is a Potent, Selective BET Inhibitor. J.Med.Chem., 66, 2023
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8FYH
| G4 RNA-mediated PRC2 dimer | Descriptor: | G4 RNA, Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, ... | Authors: | Song, J, Kasinath, V. | Deposit date: | 2023-01-26 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis for inactivation of PRC2 by G-quadruplex RNA. Science, 381, 2023
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4E26
| BRAF in complex with an organic inhibitor 7898734 | Descriptor: | 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol, Serine/threonine-protein kinase B-raf | Authors: | Qin, J, Xie, P, Ventocilla, C, Zhou, G, Vultur, A, Chen, Q, Herlyn, M, Winkler, J, Marmorstein, R. | Deposit date: | 2012-03-07 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Identification of a Novel Family of BRAF(V600E) Inhibitors. J.Med.Chem., 55, 2012
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1U43
| IspF with 4-diphosphocytidyl-2c-methyl-D-erythritol 2-phosphate | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE | Authors: | Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F. | Deposit date: | 2004-07-23 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids J.Mol.Biol., 316, 2002
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3EAA
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