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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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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3HLX
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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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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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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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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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2I68
 | | Cryo-EM based theoretical model structure of transmembrane domain of the multidrug-resistance antiporter from E. coli EmrE | | Descriptor: | Protein emrE | | Authors: | Fleishman, S.J, Harrington, S.E, Enosh, A, Halperin, D, Tate, C.G, Ben-Tal, N. | | Deposit date: | 2006-08-28 | | Release date: | 2006-10-03 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (7.5 Å) | | Cite: | Quasi-symmetry in the Cryo-EM Structure of EmrE Provides the Key to Modeling its Transmembrane Domain
J.Mol.Biol., 364, 2006
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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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1TG2
 | | Crystal structure of phenylalanine hydroxylase A313T mutant with 7,8-dihydrobiopterin bound | | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, FE (III) ION, Phenylalanine-4-hydroxylase | | Authors: | Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C. | | Deposit date: | 2004-05-28 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1TDW
 | | Crystal structure of double truncated human phenylalanine hydroxylase BH4-responsive PKU mutant A313T. | | Descriptor: | FE (III) ION, Phenylalanine-4-hydroxylase | | Authors: | Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C. | | Deposit date: | 2004-05-24 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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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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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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8GKA
 | | Human TRPV3 tetramer structure, closed conformation | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3 | | Authors: | Lansky, S, Betancourt, J.M, Scheuring, S. | | Deposit date: | 2023-03-17 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
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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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8GKG
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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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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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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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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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