3KPZ
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![BU of 3kpz by Molmil](/molmil-images/mine/3kpz) | Crystal structure of a novel vitamin D3 analogue, ZK203278 showing dissociated profile | Descriptor: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol, Vitamin D3 receptor | Authors: | Rochel, N, Moras, D. | Deposit date: | 2009-11-17 | Release date: | 2011-10-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a vitamin D3 analog, ZK203278, showing dissociated profile. Anticancer Res., 32, 2012
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3KQW
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![BU of 3kqw by Molmil](/molmil-images/mine/3kqw) | Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole | Descriptor: | 5-chloro-1H-benzimidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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1MXH
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![BU of 1mxh by Molmil](/molmil-images/mine/1mxh) | Crystal Structure of Substrate Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi | Descriptor: | DIHYDROFOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 2 | Authors: | Schormann, N, Pal, B, Senkovich, O, Carson, M, Howard, A, Smith, C, Delucas, L, Chattopadhyay, D. | Deposit date: | 2002-10-02 | Release date: | 2003-10-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of Trypanosoma cruzi pteridine reductase 2 in complex with a substrate and an inhibitor. J.Struct.Biol., 152, 2005
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3KPV
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![BU of 3kpv by Molmil](/molmil-images/mine/3kpv) | Crystal Structure of hPNMT in Complex AdoHcy and Adenine | Descriptor: | ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQQ
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![BU of 3kqq by Molmil](/molmil-images/mine/3kqq) | Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid | Descriptor: | 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KQY
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3KY7
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![BU of 3ky7 by Molmil](/molmil-images/mine/3ky7) | 2.35 Angstrom resolution crystal structure of a putative tRNA (guanine-7-)-methyltransferase (trmD) from Staphylococcus aureus subsp. aureus MRSA252 | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Halavaty, A.S, Minasov, G, Winsor, J, Dubrovska, I, Shuvalova, L, See, R, Zoraghi, R, Reiner, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-12-04 | Release date: | 2009-12-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 2.35 Angstrom resolution crystal structure of a putative tRNA (guanine-7-)-methyltransferase (trmD) from Staphylococcus aureus subsp. aureus MRSA252 To be Published
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3L4K
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![BU of 3l4k by Molmil](/molmil-images/mine/3l4k) | Topoisomerase II-DNA cleavage complex, metal-bound | Descriptor: | 3'-THIO-THYMIDINE-5'-PHOSPHATE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), ... | Authors: | Schmidt, B.H, Burgin, A.B, Deweese, J.E, Osheroff, N, Berger, J.M. | Deposit date: | 2009-12-20 | Release date: | 2010-05-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | A novel and unified two-metal mechanism for DNA cleavage by type II and IA topoisomerases. Nature, 465, 2010
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3KRQ
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![BU of 3krq by Molmil](/molmil-images/mine/3krq) | Crystal structure of the complex of lactoperoxidase with a potent inhibitor amino-triazole at 2.2a resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-AMINO-1,2,4-TRIAZOLE, ... | Authors: | Singh, A.K, Singh, N, Sinha, M, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P. | Deposit date: | 2009-11-19 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | First structural evidence for the mode of diffusion of aromatic ligands and ligand-induced closure of the hydrophobic channel in heme peroxidases J.Biol.Inorg.Chem., 15, 2010
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1NBB
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![BU of 1nbb by Molmil](/molmil-images/mine/1nbb) | N-BUTYLISOCYANIDE BOUND RHODOBACTER CAPSULATUS CYTOCHROME C' | Descriptor: | CYTOCHROME C', N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tahirov, T.H, Misaki, S, Meyer, T.E, Cusanovich, M.A, Higuchi, Y, Yasuoka, N. | Deposit date: | 1996-03-18 | Release date: | 1996-08-17 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Concerted movement of side chains in the haem vicinity observed on ligand binding in cytochrome c' from rhodobacter capsulatus. Nat.Struct.Biol., 3, 1996
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3KQO
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![BU of 3kqo by Molmil](/molmil-images/mine/3kqo) | Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine | Descriptor: | 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Drinkwater, N, Martin, J.L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
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3KR1
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3KRV
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![BU of 3krv by Molmil](/molmil-images/mine/3krv) | The Structure Of Potential Metal-Dependent Hydrolase With Cyclase Activity | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Rakonjac, N, Rezacova, P, Borek, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-11-19 | Release date: | 2010-01-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Structure Of Potential Metal-Dependent Hydrolase With Cyclase Activity To be Published
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3KUZ
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![BU of 3kuz by Molmil](/molmil-images/mine/3kuz) | Crystal structure of the ubiquitin like domain of PLXNC1 | Descriptor: | Plexin-C1, UNKNOWN ATOM OR ION | Authors: | Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-28 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the ubiquitin like domain of PLXNC1 to be published
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8BVA
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![BU of 8bva by Molmil](/molmil-images/mine/8bva) | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_114-126 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, L(+)-TARTARIC ACID, POTASSIUM ION, ... | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2022-12-02 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_114-126 To Be Published
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8BR6
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![BU of 8br6 by Molmil](/molmil-images/mine/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
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![BU of 8br5 by Molmil](/molmil-images/mine/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
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![BU of 8br7 by Molmil](/molmil-images/mine/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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3LKL
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![BU of 3lkl by Molmil](/molmil-images/mine/3lkl) | Crystal structure of the C-terminal domain of Anti-Sigma factor antagonist STAS from Rhodobacter sphaeroides | Descriptor: | Antisigma-factor antagonist STAS | Authors: | Nocek, B, Marshall, N, Davidoff, J, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-27 | Release date: | 2010-03-09 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the C-terminal domain of Anti-Sigma factor antagonist STAS from Rhodobacter sphaeroides To be Published
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7MYZ
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![BU of 7myz by Molmil](/molmil-images/mine/7myz) | |
3LCV
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![BU of 3lcv by Molmil](/molmil-images/mine/3lcv) | Crystal Structure of Antibiotic related Methyltransferase | Descriptor: | S-ADENOSYLMETHIONINE, Sisomicin-gentamicin resistance methylase Sgm | Authors: | Sivaraman, J, Husain, N. | Deposit date: | 2010-01-11 | Release date: | 2010-06-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the methylation of G1405 in 16S rRNA by aminoglycoside resistance methyltransferase Sgm from an antibiotic producer: a diversity of active sites in m7G methyltransferases. Nucleic Acids Res., 2010
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3LHF
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![BU of 3lhf by Molmil](/molmil-images/mine/3lhf) | The Crystal Structure of a Serine Recombinase from Sulfolobus solfataricus to 2.3A | Descriptor: | Serine Recombinase | Authors: | Stein, A.J, Osipiuk, J, Marshall, N, Bearden, J, Davidoff, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-22 | Release date: | 2010-03-16 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of a Serine Recombinase from Sulfolobus solfataricus to 2.3A To be Published
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3LUD
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3LUK
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8CAT
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![BU of 8cat by Molmil](/molmil-images/mine/8cat) | The NADPH binding site on beef liver catalase | Descriptor: | CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Murthy, M.R.N, Reid III, T.J, Sicignano, A, Tanaka, N, Fita, I, Rossmann, M.G. | Deposit date: | 1984-11-15 | Release date: | 1985-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The NADPH binding site on beef liver catalase. Proc.Natl.Acad.Sci.USA, 82, 1985
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