6X1X
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![BU of 6x1x by Molmil](/molmil-images/mine/6x1x) | PDZ domain from choanoflagellate GIPC (mbGIPC) | Descriptor: | GLYCEROL, mbGIPC protein | Authors: | Gao, M, Amacher, J.F. | Deposit date: | 2020-05-19 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.198 Å) | Cite: | Structural characterization and computational analysis of PDZ domains in Monosiga brevicollis. Protein Sci., 29, 2020
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6D0O
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![BU of 6d0o by Molmil](/molmil-images/mine/6d0o) | rdpA dioxygenase holoenzyme | Descriptor: | (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, COBALT (II) ION | Authors: | Rydel, T.J, Sturman, E.J, Zheng, M, Evdokimov, A. | Deposit date: | 2018-04-10 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of enzymes for robust aryloxyphenoxypropionate and synthetic auxin herbicide tolerance traits in maize and soybean crops. Pest Manag. Sci., 75, 2019
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5UUZ
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![BU of 5uuz by Molmil](/molmil-images/mine/5uuz) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P200 | Descriptor: | 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-17 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.496 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P200 To Be Published
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8ATN
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![BU of 8atn by Molmil](/molmil-images/mine/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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6CY4
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![BU of 6cy4 by Molmil](/molmil-images/mine/6cy4) | RNA octamer containing 2'-OMe, 4'- Cbeta-OMe U. | Descriptor: | RNA (5'-R(*(CBV)P*GP*AP*AP*(UOB)P*UP*CP*G)-3') | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2018-04-04 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity. Nucleic Acids Res., 46, 2018
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5AJH
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![BU of 5ajh by Molmil](/molmil-images/mine/5ajh) | Crystal structure of Fusarium oxysporum cutinase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CUTINASE | Authors: | Dimarogona, M, Nikolaivits, E, Kanelli, M, Christakopoulos, P, Sandgren, M, Topakas, E. | Deposit date: | 2015-02-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Studies of a Fusarium Oxysporum Cutinase with Polyethylene Terephthalate Modification Potential. Biochim.Biophys.Acta, 1850, 2015
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6WLC
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![BU of 6wlc by Molmil](/molmil-images/mine/6wlc) | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with Uridine-5'-Monophosphate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Chang, C, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-04-19 | Release date: | 2020-04-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2. Commun Biol, 4, 2021
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5URQ
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![BU of 5urq by Molmil](/molmil-images/mine/5urq) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-12 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p176 To Be Published
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3M7P
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![BU of 3m7p by Molmil](/molmil-images/mine/3m7p) | Fibronectin fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECAETHYLENE GLYCOL, FN1 protein, ... | Authors: | Graille, M, Pagano, M, Rose, T, Reboud Ravaux, M, van Tilbeurgh, H. | Deposit date: | 2010-03-17 | Release date: | 2010-06-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Zinc Induces Structural Reorganization of Gelatin Binding Domain from Human Fibronectin and Affects Collagen Binding Structure, 18, 2010
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5A88
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![BU of 5a88 by Molmil](/molmil-images/mine/5a88) | Crystal structure of the riboflavin kinase module of FAD synthetase from Corynebacterium ammoniagenes in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, GLYCEROL, ... | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Medina, M. | Deposit date: | 2015-07-13 | Release date: | 2015-12-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural Insights Into the Synthesis of Fmn in Prokaryotic Organisms. Acta Crystallogr.,Sect.D, 71, 2015
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1C1H
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![BU of 1c1h by Molmil](/molmil-images/mine/1c1h) | CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN | Descriptor: | FERROCHELATASE, MAGNESIUM ION, N-METHYLMESOPORPHYRIN | Authors: | Lecerof, D, Fodje, M, Hansson, A, Hansson, M, Al-Karadaghi, S. | Deposit date: | 1999-07-22 | Release date: | 2000-03-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic basis of porphyrin metallation by ferrochelatase. J.Mol.Biol., 297, 2000
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5H6N
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![BU of 5h6n by Molmil](/molmil-images/mine/5h6n) | DNA targeting ADP-ribosyltransferase Pierisin-1, autoinhibitory form | Descriptor: | Pierisin-1 | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | Deposit date: | 2016-11-14 | Release date: | 2017-08-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
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6CCN
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![BU of 6ccn by Molmil](/molmil-images/mine/6ccn) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide | Descriptor: | (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
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5H8K
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![BU of 5h8k by Molmil](/molmil-images/mine/5h8k) | Crystal structure of Medicago truncatula N-carbamoylputrescine amidohydrolase (MtCPA) C158S mutant | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Sekula, B, Ruszkowski, M, Malinska, M, Dauter, Z. | Deposit date: | 2015-12-23 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants. Front Plant Sci, 7, 2016
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5AEA
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![BU of 5aea by Molmil](/molmil-images/mine/5aea) | |
6X23
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![BU of 6x23 by Molmil](/molmil-images/mine/6x23) | |
6CXZ
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![BU of 6cxz by Molmil](/molmil-images/mine/6cxz) | RNA octamer containing 2'-F, 4'-Calpha-Me U. | Descriptor: | CACODYLATE ION, COBALT HEXAMMINE(III), RNA (5'-R(*CP*GP*AP*AP*(U4M)P*UP*CP*G)-3') | Authors: | Harp, J.M, Egli, M. | Deposit date: | 2018-04-04 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis for the synergy of 4'- and 2'-modifications on siRNA nuclease resistance, thermal stability and RNAi activity. Nucleic Acids Res., 46, 2018
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3MEL
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![BU of 3mel by Molmil](/molmil-images/mine/3mel) | Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150 | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ... | Authors: | Kuzin, A, Abasidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-03-31 | Release date: | 2010-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.788 Å) | Cite: | Northeast Structural Genomics Consortium Target EfR150 To be Published
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5UZS
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![BU of 5uzs by Molmil](/molmil-images/mine/5uzs) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P200 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Maltseva, N, Kim, Y, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D.R, Hedstrom, L, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-27 | Release date: | 2017-03-22 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.367 Å) | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from
Clostridium perfringens
Complexed with IMP and P200 To Be Published
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1BTP
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![BU of 1btp by Molmil](/molmil-images/mine/1btp) | UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX | Descriptor: | BETA-TRYPSIN, CALCIUM ION | Authors: | Odagaki, Y, Nakai, H, Senokuchi, K, Kawamura, M, Hamanaka, N, Nakamura, M, Tomoo, K, Ishida, T. | Deposit date: | 1995-08-11 | Release date: | 1996-01-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unique binding of a novel synthetic inhibitor, N-[3-[4-[4-(amidinophenoxy)carbonyl]phenyl]-2-methyl-2-propenoyl]- N-allylglycine methanesulfonate, to bovine trypsin, revealed by the crystal structure of the complex. Biochemistry, 34, 1995
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6CCL
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![BU of 6ccl by Molmil](/molmil-images/mine/6ccl) | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine | Descriptor: | 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
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8ATB
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![BU of 8atb by Molmil](/molmil-images/mine/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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6CDT
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![BU of 6cdt by Molmil](/molmil-images/mine/6cdt) | |
1VAS
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![BU of 1vas by Molmil](/molmil-images/mine/1vas) | ATOMIC MODEL OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME COMPLEXED WITH A DNA SUBSTRATE: STRUCTURAL BASIS FOR DAMAGED DNA RECOGNITION | Descriptor: | DNA (5'-D(*AP*TP*CP*GP*CP*GP*TP*TP*GP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*CP*AP*AP*CP*GP*CP*GP*A)-3'), PROTEIN (T4 ENDONUCLEASE V (E.C.3.1.25.1)) | Authors: | Vassylyev, D.G, Kashiwagi, T, Mikami, Y, Ariyoshi, M, Iwai, S, Ohtsuka, E, Morikawa, K. | Deposit date: | 1995-09-08 | Release date: | 1996-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Atomic model of a pyrimidine dimer excision repair enzyme complexed with a DNA substrate: structural basis for damaged DNA recognition. Cell(Cambridge,Mass.), 83, 1995
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1UL4
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![BU of 1ul4 by Molmil](/molmil-images/mine/1ul4) | Solution structure of the DNA-binding domain of squamosa promoter binding protein-like 4 | Descriptor: | ZINC ION, squamosa promoter binding protein-like 4 | Authors: | Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-09-09 | Release date: | 2004-03-09 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | A novel zinc-binding motif revealed by solution structures of DNA-binding domains of Arabidopsis SBP-family transcription factors. J.Mol.Biol., 337, 2004
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