5E1Y
| PDZ2 of LNX2 at 277K, model with alternate conformations | Descriptor: | Ligand of Numb protein X 2 | Authors: | Hekstra, D.R, White, K.I, Socolich, M.A, Ranganathan, R. | Deposit date: | 2015-09-30 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.011 Å) | Cite: | Electric-field-stimulated protein mechanics. Nature, 540, 2016
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7UE1
| HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142 | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Integrase, SULFATE ION | Authors: | Aoki, M, Aoki-Ogata, H, Bulut, H, Hayashi, H, Davis, D, Hasegawa, K, Yarchoan, R, Ghosh, A.K, Pau, A.K, Mitsuya, H. | Deposit date: | 2022-03-21 | Release date: | 2023-03-22 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants. Sci Adv, 9, 2023
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5YNY
| Structure of house dust mite allergen Der F 21 in PEG2KMME | Descriptor: | Allergen Der f 21 | Authors: | Ng, C.L, Chew, F.T, Pang, S.L, Ho, K.L, Teh, A.H, Waterman, J, Rambo, R, Mathavan, I. | Deposit date: | 2017-10-25 | Release date: | 2019-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure and epitope analysis of house dust mite allergen Der f 21. Sci Rep, 9, 2019
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5T1N
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4Q37
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5TCL
| Thaumatin from 4.96 A wavelength data collection | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Aurelius, O, Duman, R, El Omari, K, Mykhaylyk, V, Wagner, A. | Deposit date: | 2016-09-15 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Long-wavelength macromolecular crystallography - First successful native SAD experiment close to the sulfur edge. Nucl Instrum Methods Phys Res B, 411, 2017
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6X3Z
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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6Z44
| Crystal structure of the cAMP-dependent protein kinase A in complex with phenol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ... | Authors: | Oebbeke, M, Heine, A, Klebe, G. | Deposit date: | 2020-05-22 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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6WDG
| Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure VI-B) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Loveland, A.B, Demo, G, Korostelev, A.A. | Deposit date: | 2020-03-31 | Release date: | 2020-07-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading. Nature, 584, 2020
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5J1E
| Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase | Descriptor: | 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ... | Authors: | Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2016-03-29 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H. J.Med.Chem., 59, 2016
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4AIV
| Crystal Structure of putative NADH-dependent nitrite reductase small subunit from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, PROBABLE NITRITE REDUCTASE [NAD(P)H] SMALL SUBUNIT NIRD | Authors: | Izumi, A, Schnell, R, Schneider, G. | Deposit date: | 2012-02-15 | Release date: | 2012-09-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Nird, the Small Subunit of the Nitrite Reductase Nirbd from Mycobacterium Tuberculosis, at 2.0 Angstrom Resolution Proteins, 80, 2012
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3QZG
| CDK2 in complex with inhibitor JWS-6-76 | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-fluorophenol, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-06 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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8V3M
| CCP5 apo structure | Descriptor: | Cytosolic carboxypeptidase-like protein 5, D-MALATE, IMIDAZOLE, ... | Authors: | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2023-11-28 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation. Nature, 631, 2024
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6SOO
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8V3P
| CCP5 in complex with Glu-P-peptide 2 transition state analog | Descriptor: | Cytosolic carboxypeptidase-like protein 5, Tubulin beta-2A chain, ZINC ION | Authors: | Chen, J, Zehr, E.A, Gruschus, J.M, Szyk, A, Liu, Y, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | Deposit date: | 2023-11-28 | Release date: | 2024-07-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Tubulin code eraser CCP5 binds branch glutamates by substrate deformation. Nature, 631, 2024
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3BWL
| Crystal structure of PAS domain of HTR-like protein from Haloarcula marismortui | Descriptor: | 1H-INDOLE-3-CARBALDEHYDE, MAGNESIUM ION, Sensor protein | Authors: | Osipiuk, J, Zhou, M, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-01-09 | Release date: | 2008-01-15 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | X-ray crystal structure of PAS domain of HTR-like protein from Haloarcula marismortui. To be Published
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5E99
| Bovine Fab fragment F08_B11 | Descriptor: | Fab F08_B11 heavy chain, Fab F08_B11 light chain | Authors: | Stanfield, R.L, Wilson, I.A. | Deposit date: | 2015-10-14 | Release date: | 2016-08-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Conservation and diversity in the ultralong third heavy-chain complementarity-determining region of bovine antibodies. Sci Immunol, 1, 2016
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8BR5
| Discovery of IRAK4 Inhibitor 41 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-11-22 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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5NAN
| Crystal Structure of human IL-17AF in complex with human IL-17RA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ... | Authors: | Rondeau, J.-M, Goepfert, A. | Deposit date: | 2017-02-28 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties. Sci Rep, 7, 2017
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3BX7
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5NBA
| Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | Descriptor: | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | Authors: | Mac Sweeney, A, Ostermann, N. | Deposit date: | 2017-03-01 | Release date: | 2017-06-28 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J. Med. Chem., 60, 2017
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8BR7
| Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839 | Descriptor: | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | Deposit date: | 2022-11-22 | Release date: | 2024-01-31 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.119 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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6SOK
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6WJY
| HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A | Descriptor: | 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A, Neumann, L. | Deposit date: | 2020-04-14 | Release date: | 2020-08-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
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8QYO
| Human proteasome 20S core particle | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A. | Deposit date: | 2023-10-26 | Release date: | 2024-02-21 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Visualizing chaperone-mediated multistep assembly of the human 20S proteasome. Nat.Struct.Mol.Biol., 31, 2024
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