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8AWW
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BU of 8aww by Molmil
Transthyretin conjugated with a tafamidis derivative
分子名称: Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
著者Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M.
登録日2022-08-30
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
6YWX
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BU of 6ywx by Molmil
The structure of the mitoribosome from Neurospora crassa with tRNA bound to the E-site
分子名称: 16S rRNA, 23S rRNA, 3-hydroxyisobutyryl-CoA hydrolase, ...
著者Amunts, A, Itoh, Y, Naschberger, A.
登録日2020-04-30
公開日2020-11-11
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Analysis of translating mitoribosome reveals functional characteristics of translation in mitochondria of fungi.
Nat Commun, 11, 2020
6W30
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BU of 6w30 by Molmil
Protein Tyrosine Phosphatase 1B Bound to Amorphadiene
分子名称: Amorphadiene, GLYCEROL, MAGNESIUM ION, ...
著者Sarkar, A, Kim, E.Y, Hongdusit, A, Sankaran, B, Fox, J.
登録日2020-03-08
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Microbially Guided Discovery and Biosynthesis of Biologically Active Natural Products.
Acs Synth Biol, 10, 2021
6Z50
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BU of 6z50 by Molmil
Crystal structure of CLK1 in complex with macrocycle ODS2003208
分子名称: 1,2-ETHANEDIOL, 11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, Dual specificity protein kinase CLK1, ...
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of CLK1 in complex with macrocycle ODS2003208
To Be Published
6Z5B
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BU of 6z5b by Molmil
Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128
分子名称: 6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase haspin
著者Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-05-26
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003128
To Be Published
8ATL
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BU of 8atl by Molmil
Discovery of IRAK4 Inhibitor 23
分子名称: 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
著者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.
登録日2022-08-23
公開日2023-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.464 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
6GF2
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BU of 6gf2 by Molmil
The structure of the ubiquitin-like modifier FAT10 reveals a novel targeting mechanism for degradation by the 26S proteasome
分子名称: Ubiquitin D
著者Aichem, A, Anders, S, Catone, N, Roessler, P, Stotz, S, Berg, A, Schwab, R, Scheuermann, S, Bialas, J, Schmidtke, G, Peter, C, Groettrup, M, Wiesner, S.
登録日2018-04-29
公開日2018-08-08
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation.
Nat Commun, 9, 2018
3V75
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BU of 3v75 by Molmil
Crystal structure of putative orotidine 5'-phosphate decarboxylase from Streptomyces avermitilis ma-4680
分子名称: Orotidine 5'-phosphate decarboxylase
著者Stogios, P.J, Xu, X, Cui, H, Kudritska, M, Tan, K, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-12-20
公開日2012-05-09
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of putative orotidine 5'-phosphate decarboxylase from Streptomyces avermitilis ma-4680
To be Published
1YOC
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BU of 1yoc by Molmil
Crystal Structure of genomics APC5556
分子名称: GLYCEROL, hypothetical protein PA1835
著者Dong, A, Evdokimova, E, Kudritskam, M, Zhang, R.G, Yakunin, A, Pai, E, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-01-27
公開日2005-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of genomics AFPA1835 by Sulfur SAD methods
To be Published
1BTI
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BU of 1bti by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR
著者Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
登録日1991-07-11
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
8AOL
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BU of 8aol by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain III (aa 363-499)
分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Sagmeister, T, Damisch, E, Eder, M, Dordic, A, Vejzovic, D, Pavkov-Keller, T.
登録日2022-08-08
公開日2023-08-23
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
1BPT
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BU of 1bpt by Molmil
CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
著者Housset, D, Wlodawer, A, Tao, F, Fuchs, J, Woodward, C.
登録日1991-12-11
公開日1993-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
3B7K
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BU of 3b7k by Molmil
Human Acyl-coenzyme A thioesterase 12
分子名称: Acyl-coenzyme A thioesterase 12, COENZYME A
著者Lehtio, L, Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2007-10-31
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human Acyl-coenzyme A thioesterase 12.
To be Published
1Q7H
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BU of 1q7h by Molmil
Structure of a Conserved PUA Domain Protein from Thermoplasma acidophilum
分子名称: ZINC ION, conserved hypothetical protein
著者Cuff, M.E, Xu, X, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2003-08-18
公開日2004-01-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a conserved hypothetical protein from T. acidophilum
TO BE PUBLISHED
1CFZ
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BU of 1cfz by Molmil
HYDROGENASE MATURATING ENDOPEPTIDASE HYBD FROM E. COLI
分子名称: CADMIUM ION, HYDROGENASE 2 MATURATION PROTEASE
著者Fritsche, E, Paschos, A, Beisel, H.-G, Boeck, A, Huber, R.
登録日1999-03-23
公開日2000-03-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the hydrogenase maturating endopeptidase HYBD from Escherichia coli.
J.Mol.Biol., 288, 1999
6TER
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BU of 6ter by Molmil
Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A.
登録日2019-11-12
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
6HG8
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BU of 6hg8 by Molmil
Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
著者Ambrus, A, Szabo, E, Weichsel, A, Bui, D, Wilk, P, Torocsik, B, Weiss, M.S, Montfort, W.R, Jordan, F, Adam-Vizi, V.
登録日2018-08-22
公開日2019-09-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase.
To Be Published
2AYV
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BU of 2ayv by Molmil
Crystal structure of a putative ubiquitin-conjugating enzyme E2 from Toxoplasma gondii
分子名称: UNKNOWN ATOM OR ION, ubiquitin-conjugating enzyme E2
著者Tempel, W, Dong, A, Zhao, Y, Lew, J, Alam, Z, Melone, M, Wasney, G, Kozieradzki, I, Vedadi, M, Arrowsmith, C, Sundstrom, M, Weigelt, J, Edwards, A, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
登録日2005-09-08
公開日2005-09-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
6HCD
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BU of 6hcd by Molmil
Structure of universal stress protein from Archaeoglobus fulgidus
分子名称: ACETATE ION, CHLORIDE ION, UNIVERSAL STRESS PROTEIN, ...
著者Shumilin, I.A, Loch, J.I, Cymborowski, M, Xu, X, Edwards, A, Di Leo, R, Shabalin, I.G, Joachimiak, A, Savchenko, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2018-08-14
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional insight into the universal stress protein family.
Evol Appl, 6, 2013
6HJ4
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BU of 6hj4 by Molmil
Crystal structure of Whitewater Arroyo virus GP1 glycoprotein at pH 7.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Pre-glycoprotein polyprotein GP complex
著者Pryce, R, Ng, W.M, Zeltina, A, Watanabe, Y, El Omari, K, Wagner, A, Bowden, T.A.
登録日2018-08-31
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure-Based Classification Defines the Discrete Conformational Classes Adopted by the Arenaviral GP1.
J. Virol., 93, 2019
8ALU
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BU of 8alu by Molmil
Crystal structure of the teichoic acid binding domain of SlpA, S-layer protein from Lactobacillus acidophilus (aa. 314-444)
分子名称: PHOSPHATE ION, S-layer protein
著者Eder, M, Dordic, A, Sagmeister, T, Vejzovic, D, Pavkov-Keller, T.
登録日2022-08-01
公開日2023-08-16
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
8ATN
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BU of 8atn by Molmil
Discovery of IRAK4 Inhibitor 38
分子名称: 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
著者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.
登録日2022-08-23
公開日2023-09-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.171 Å)
主引用文献Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
6HIV
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BU of 6hiv by Molmil
Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the complete mitoribosome
分子名称: 12S rRNA, 50S ribosomal protein L13, putative, ...
著者Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boerhringer, D, Schneider, A, Ban, N.
登録日2018-08-31
公開日2018-10-03
最終更新日2018-11-07
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
4AHO
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BU of 4aho by Molmil
Crystal Structure of N-acetylneuraminic acid lyase from Staphylococcus aureus with the chemical modification thia-lysine at position 165
分子名称: CHLORIDE ION, N-ACETYLNEURAMINATE LYASE
著者Timms, N, Polyakova, A, Windle, C.L, Trinh, C.H, Nelson, A, Trinh, A.R, Berry, A.
登録日2012-02-06
公開日2013-01-23
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights Into the Recovery of Aldolase Activity in N-Acetylneuraminic Acid Lyase by Replacement of the Catalytically Active Lysine with Gamma-Thialysine by Using a Chemical Mutagenesis Strategy.
Chembiochem, 14, 2013
3TB2
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1-Cys peroxidoxin from Plasmodium Yoelli
分子名称: 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ...
著者Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC)
登録日2011-08-04
公開日2011-10-19
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007

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