1LM3
| A Multi-generation Analysis of Cytochrome b562 Redox Variants: Evolutionary Strategies for Modulating Redox Potential Revealed Using a Library Approach | Descriptor: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SOLUBLE CYTOCHROME B562 | Authors: | Springs, S.L, Bass, S.E, Bowman, G, Nodelman, I, Schutt, C.E, McLendon, G.L. | Deposit date: | 2002-04-30 | Release date: | 2002-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multigeneration analysis of cytochrome b(562) redox variants: evolutionary strategies for modulating redox potential revealed using a library approach. Biochemistry, 41, 2002
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3HLX
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3HNH
| Crystal Structure of PqqC Active Site Mutant Y175S,R179S in complex with a reaction intermediate | Descriptor: | (2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, Pyrroloquinoline-quinone synthase | Authors: | Puehringer, S, Schwarzenbacher, R. | Deposit date: | 2009-05-31 | Release date: | 2010-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural studies of mutant forms of the PQQ-forming enzyme PqqC in the presence of product and substrate Proteins, 78, 2010
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3HML
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8ATL
| Discovery of IRAK4 Inhibitor 23 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]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: | 2022-08-23 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.464 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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8ATB
| Discovery of IRAK4 Inhibitor 16 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-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: | 2022-08-22 | Release date: | 2023-11-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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8BR6
| Discovery of IRAK4 Inhibitor 40 | Descriptor: | ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)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, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, 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 (2.167 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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8ATN
| Discovery of IRAK4 Inhibitor 38 | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-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: | 2022-08-23 | Release date: | 2023-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.171 Å) | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . J.Med.Chem., 67, 2024
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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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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: | 2024-02-07 | 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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6TDQ
| Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket and one GM dipeptide in the F pocket. | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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6TDS
| Crystal structure of the disulfide engineered HLA-A0201 molecule without peptide bound after NaCl wash | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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6TDO
| Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GM dipeptide in the A pocket. | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-09 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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1BZK
| STRUCTURAL STUDIES ON THE EFFECTS OF THE DELETION IN THE RED CELL ANION EXCHANGER (BAND3, AE1) ASSOCIATED WITH SOUTH EAST ASIAN OVALOCYTOSIS. | Descriptor: | PROTEIN (BAND 3 ANION TRANSPORT PROTEIN) | Authors: | Chambers, E.J, Bloomberg, G.B, Ring, S.M, Tanner, M.J.A. | Deposit date: | 1998-11-01 | Release date: | 1999-06-01 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structural studies on the effects of the deletion in the red cell anion exchanger (band 3, AE1) associated with South East Asian ovalocytosis. J.Mol.Biol., 285, 1999
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1BNX
| STRUCTURAL STUDIES ON THE EFFECTS OF THE DELETION IN THE RED CELL ANION EXCHANGER (BAND3, AE1) ASSOCIATED WITH SOUTH EAST ASIAN OVALOCYTOSIS. | Descriptor: | PROTEIN (BAND 3) | Authors: | Chambers, E.J, Bloomberg, G.B, Ring, S.M, Tanner, M.J.A. | Deposit date: | 1998-07-30 | Release date: | 1998-08-05 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Studies on the structure of a transmembrane region and a cytoplasmic loop of the human red cell anion exchanger (band 3, AE1). Biochem.Soc.Trans., 26, 1998
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6Q3S
| Engineered Human HLA_A2 MHC Class I molecule in complex with TCR and SV9 peptide | Descriptor: | ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Meijers, R, Anjanappa, R, Springer, S, Garcia-Alai, M. | Deposit date: | 2018-12-04 | Release date: | 2019-07-24 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-throughput peptide-MHC complex generation and kinetic screenings of TCRs with peptide-receptive HLA-A*02:01 molecules. Sci Immunol, 4, 2019
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6Q3K
| Engineered Human HLA_A2 MHC Class I molecule in complex with NV9 peptide | Descriptor: | ASN-LEU-VAL-PRO-MET-VAL-ALA-THR-VAL, Beta-2-microglobulin, COBALT (II) ION, ... | Authors: | Meijers, R, Anjanappa, R, Springer, S, Garcia-Alai, M. | Deposit date: | 2018-12-04 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Engineered Human HLA_A2MHC Class I molecule in complex with NV9 peptide Sci Immunol, 2019
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4NY7
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1KQS
| The Haloarcula marismortui 50S Complexed with a Pretranslocational Intermediate in Protein Synthesis | Descriptor: | 23S RRNA, 5S RRNA, 6-AMINOHEXANOIC ACID, ... | Authors: | Schmeing, T.M, Seila, A.C, Hansen, J.L, Freeborn, B, Soukup, J.K, Scaringe, S.A, Strobel, S.A, Moore, P.B, Steitz, T.A. | Deposit date: | 2002-01-07 | Release date: | 2002-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A pre-translocational intermediate in protein synthesis observed in crystals of enzymatically active 50S subunits. Nat.Struct.Biol., 9, 2002
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4PAC
| Crystal Structure of Histidine-containing Phosphotransfer Protein AHP2 from Arabidopsis thaliana | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Histidine-containing phosphotransfer protein 2, IMIDAZOLE | Authors: | Degtjarik, O, Dopitova, R, Puehringer, S, Weiss, M.S, Janda, L, Hejatko, J, Kuta-Smatanova, I. | Deposit date: | 2014-04-08 | Release date: | 2015-05-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal structure of AHP2 from Arabidopsis thaliana To Be Published
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1KD5
| The Crystal Structure of r(GGUCACAGCCC)2 metal free form | Descriptor: | 5'-R(*GP*GP*UP*CP*AP*CP*AP*GP*CP*CP*C)-3' | Authors: | Kacer, V, Scaringe, S.A, Scarsdale, J.N, Rife, J.P. | Deposit date: | 2001-11-12 | Release date: | 2003-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structures of r(GGUCACAGCCC)2. Acta Crystallogr.,Sect.D, 59, 2003
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1NZO
| The crystal structure of wild type penicillin-binding protein 5 from E. coli | Descriptor: | BETA-MERCAPTOETHANOL, Penicillin-binding protein 5 | Authors: | Nicholas, R.A, Krings, S, Tomberg, J, Nicola, G, Davies, C. | Deposit date: | 2003-02-19 | Release date: | 2004-01-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of wild-type penicillin-binding protein 5 from Escherichia coli: implications for deacylation of the acyl-enzyme complex. J.Biol.Chem., 278, 2003
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1KD3
| The Crystal Structure of r(GGUCACAGCCC)2, Thallium form | Descriptor: | 5'-R(*GP*GP*UP*CP*AP*CP*AP*GP*CP*CP*C)-3', THALLIUM (I) ION | Authors: | Kacer, V, Scaringe, S.A, Scarsdale, J.N, Rife, J.P. | Deposit date: | 2001-11-12 | Release date: | 2003-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of r(GGUCACAGCCC)2. Acta Crystallogr.,Sect.D, 59, 2003
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1KD4
| The Crystal Structure of r(GGUCACAGCCC)2, Barium form | Descriptor: | 5'-R(*GP*GP*UP*CP*AP*CP*AP*GP*CP*CP*C)-3', BARIUM ION | Authors: | Kacer, V, Scaringe, S.A, Scarsdale, J.N, Rife, J.P. | Deposit date: | 2001-11-12 | Release date: | 2003-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of r(GGUCACAGCCC)2. Acta Crystallogr.,Sect.D, 59, 2003
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4EWI
| Crystal structure of the NLRP4 Pyrin domain | Descriptor: | CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ... | Authors: | Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W. | Deposit date: | 2012-04-27 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural and Functional Analysis of the NLRP4 Pyrin Domain. Biochemistry, 51, 2012
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