3P9Z
 
 | | Crystal structure of uroporphyrinogen-III synthetase from Helicobacter pylori 26695 | | Descriptor: | MALONATE ION, Uroporphyrinogen III cosynthase (HemD) | | Authors: | Nocek, B, Stein, A, Chhor, G, Fenske, R.J, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-10-18 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of uroporphyrinogen-III synthetase from Helicobacter pylori 26695
To be Published
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3PAM
 | | Crystal structure of a domain of transmembrane protein of ABC-type oligopeptide transport system from Bartonella henselae str. Houston-1 | | Descriptor: | ETHANOL, Transmembrane protein | | Authors: | Nocek, B, Stein, A, Mack, J, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-10-19 | | Release date: | 2010-11-17 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of a domain of transmembrane protein of ABC-type oligopeptide transport system from Bartonella henselae str. Houston-1"
TO BE PUBLISHED
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3PZJ
 | | Crystal structure of a probable acetyltransferases (GNAT family) from Chromobacterium violaceum ATCC 12472 | | Descriptor: | 1,2-ETHANEDIOL, Probable acetyltransferases, SODIUM ION | | Authors: | Nocek, B, Stein, A, Bigelow, L, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-12-14 | | Release date: | 2011-01-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a probable acetyltransferases (GNAT family) from Chromobacterium violaceum ATCC 12472
TO BE PUBLISHED
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3QOC
 | | Crystal structure of N-terminal domain (Creatinase/Prolidase like domain) of putative metallopeptidase from Corynebacterium diphtheriae | | Descriptor: | CHLORIDE ION, Putative metallopeptidase, SULFATE ION | | Authors: | Nocek, B, Stein, A, Marshall, N, Putagunta, R, Feldmann, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-02-09 | | Release date: | 2011-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of N-terminal domain (Creatinase/Prolidase like domain) of putative metallopeptidase from Corynebacterium diphtheriae
TO BE PUBLISHED
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3PFM
 | | Crystal structure of a EAL domain of GGDEF domain protein from Pseudomonas fluorescens Pf | | Descriptor: | GGDEF domain protein | | Authors: | Nocek, B, Stein, A, Marshall, N, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-10-28 | | Release date: | 2010-11-10 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.908 Å) | | Cite: | Crystal structure of a EAL domain of GGDEF domain protein from Pseudomonas fluorescens Pf
TO BE PUBLISHED
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3RRL
 | | Complex structure of 3-oxoadipate coA-transferase subunit A and B from Helicobacter pylori 26695 | | Descriptor: | GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase subunit A, Succinyl-CoA:3-ketoacid-coenzyme A transferase subunit B | | Authors: | Nocek, B, Stein, A, Marshall, N, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-04-29 | | Release date: | 2011-06-29 | | Last modified: | 2012-01-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Complex structure of 3-oxoadipate coA-transferase subunit A and B
from Helicobacter pylori 26695
TO BE PUBLISHED
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3OT6
 | | Crystal Structure of an enoyl-CoA hydratase/isomerase family protein from Psudomonas syringae | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-CoA hydratase/isomerase family protein | | Authors: | Joachimiak, A, Duke, N.E.C, Stein, A, Chhor, G, Freeman, L, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-09-10 | | Release date: | 2010-10-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of an enoyl-CoA hydratase/isomerase family protein from Psudomonas syringae
To be Published
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3RPF
 | | Protein-protein complex of subunit 1 and 2 of Molybdopterin-converting factor from Helicobacter pylori 26695 | | Descriptor: | 1,2-ETHANEDIOL, Molybdopterin converting factor, subunit 1 (MoaD), ... | | Authors: | Nocek, B, Stein, A, Marshall, N, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-04-26 | | Release date: | 2011-06-29 | | Last modified: | 2012-01-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein-protein complex of subunit 1 and 2 of Molybdopterin-converting factor from Helicobacter pylori 26695
TO BE PUBLISHED
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3IWG
 | | Acetyltransferase from GNAT family from Colwellia psychrerythraea. | | Descriptor: | Acetyltransferase, GNAT family, CHLORIDE ION, ... | | Authors: | Osipiuk, J, Stein, A, Shackelford, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-09-02 | | Release date: | 2009-09-15 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray crystal structure of Acetyltransferase from GNAT family from Colwellia psychrerythraea.
To be Published
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3GYG
 | | Crystal structure of yhjK (haloacid dehalogenase-like hydrolase protein) from Bacillus subtilis | | Descriptor: | MAGNESIUM ION, NTD biosynthesis operon putative hydrolase ntdB | | Authors: | Nocek, B, Stein, A, Wu, R, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-04-03 | | Release date: | 2009-05-12 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of yhjK (haloacid dehalogenase-like hydrolase protein) from Bacillus subtilis
To be Published
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5JR8
 | | Disposal of Iron by a Mutant form of Siderocalin NGAL | | Descriptor: | GLYCEROL, Neutrophil gelatinase-associated lipocalin, PHOSPHATE ION | | Authors: | Rupert, P.B, Strong, R.K, Barasch, J, Hollman, M, Deng, R, Hod, E.A, Abergel, R, Allred, B, Xu, K, Darrah, S, Tekabe, Y, Perlstein, A, Bruck, E, Stauber, J, Corbin, K, Buchen, C, Slavkovich, V, Graziano, J, Spitalnik, S, Qiu, A. | | Deposit date: | 2016-05-05 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Disposal of iron by a mutant form of lipocalin 2.
Nat Commun, 7, 2016
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7BCP
 | | Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with gluconate | | Descriptor: | D-gluconic acid, Putative TRAP transporter solute receptor DctP | | Authors: | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
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7BCO
 | | Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with D-foconate | | Descriptor: | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid, Putative TRAP transporter solute receptor DctP | | Authors: | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
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7BCR
 | | Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with galactonate | | Descriptor: | L-galactonic acid, Putative TRAP transporter solute receptor DctP | | Authors: | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
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7BCN
 | | Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with Xylonic acid | | Descriptor: | D-xylonic acid, Putative TRAP transporter solute receptor DctP | | Authors: | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
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7BBR
 | | Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T | | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, Putative TRAP transporter solute receptor DctP | | Authors: | Schaefer, L, Meinert, C, Kobus, S, Hoeppner, A, Smits, S.H, Steinbuechel, A. | | Deposit date: | 2020-12-18 | | Release date: | 2021-03-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the sugar acid-binding protein CxaP from a TRAP transporter in Advenella mimigardefordensis strain DPN7 T .
Febs J., 288, 2021
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4J7Z
 | | Thermus thermophilus DNAJ J- and G/F-DOMAINS | | Descriptor: | Chaperone protein DnaJ 2, GLYCEROL | | Authors: | Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-02-14 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | EPR (1.64 Å), X-RAY DIFFRACTION | | Cite: | Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ.
Acta Crystallogr.,Sect.D, 69, 2013
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4J80
 | | Thermus thermophilus DnaJ | | Descriptor: | Chaperone protein DnaJ 2 | | Authors: | Barends, T.R.M, Brosi, R.W, Steinmetz, A, Scherer, A, Hartmann, E, Eschenbach, J, Lorenz, T, Seidel, R, Shoeman, R, Zimmermann, S, Bittl, R, Schlichting, I, Reinstein, J. | | Deposit date: | 2013-02-14 | | Release date: | 2013-07-31 | | Last modified: | 2013-10-09 | | Method: | EPR (2.9 Å), X-RAY DIFFRACTION | | Cite: | Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ.
Acta Crystallogr.,Sect.D, 69, 2013
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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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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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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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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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6G31
 | | Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y bound to zoledronate | | Descriptor: | Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID | | Authors: | Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y. | | Deposit date: | 2018-03-24 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures.
Mol. Pharmacol., 94, 2018
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