7WRT
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7W9G
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![BU of 7w9g by Molmil](/molmil-images/mine/7w9g) | Complex structure of Mpro with ebselen-derivative inhibitor | Descriptor: | 3C-like proteinase nsp5, SELENIUM ATOM | Authors: | Sahoo, P, Kumar, A. | Deposit date: | 2021-12-09 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci, 6, 2023
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7W9R
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![BU of 7w9r by Molmil](/molmil-images/mine/7w9r) | Crystal structure of V30M-TTR in complex with naringenin derivative-18 | Descriptor: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Transthyretin | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | Deposit date: | 2021-12-10 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis. J.Med.Chem., 65, 2022
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7WAK
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![BU of 7wak by Molmil](/molmil-images/mine/7wak) | Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Glutamyl-tRNA synthetase, ... | Authors: | Sharma, V, Manickam, Y, Babbar, P, Sharma, A. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.782 Å) | Cite: | Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol., 253, 2022
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7JXT
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![BU of 7jxt by Molmil](/molmil-images/mine/7jxt) | Ovine COX-1 in complex with the subtype-selective derivative 2a | Descriptor: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | Deposit date: | 2020-08-27 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design. Adv Sci, 8, 2021
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2YJ7
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![BU of 2yj7 by Molmil](/molmil-images/mine/2yj7) | Crystal structure of a hyperstable protein from the Precambrian period | Descriptor: | LPBCA THIOREDOXIN, SODIUM ION | Authors: | Gavira, J.A, Ingles, A, Ibarra, B, Garcia-Ruiz, J.M. | Deposit date: | 2011-05-19 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Conservation of Protein Structure Over Four Billion Years Structure, 21, 2013
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3JUT
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![BU of 3jut by Molmil](/molmil-images/mine/3jut) | Acidic Fibroblast Growth Factor (FGF-1) complexed with gentisic acid | Descriptor: | 2,5-dihydroxybenzoic acid, Heparin-binding growth factor 1 | Authors: | Fernandez, I.S, Gimenez-Gallego, G, Romero, A. | Deposit date: | 2009-09-15 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors. J.Biol.Chem., 285, 2010
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2YFN
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![BU of 2yfn by Molmil](/molmil-images/mine/2yfn) | galactosidase domain of alpha-galactosidase-sucrose kinase, AgaSK | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, ... | Authors: | Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T. | Deposit date: | 2011-04-07 | Release date: | 2011-09-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities J.Biol.Chem., 286, 2011
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3SR3
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![BU of 3sr3 by Molmil](/molmil-images/mine/3sr3) | Crystal structure of the w180a mutant of microcin immunity protein mccf from Bacillus anthracis shows the active site loop in the open conformation. | Descriptor: | Microcin immunity protein MccF | Authors: | Nocek, B, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-07-06 | Release date: | 2011-08-10 | Last modified: | 2013-01-09 | Method: | X-RAY DIFFRACTION (1.495 Å) | Cite: | Structural and functional characterization of microcin C resistance peptidase MccF from Bacillus anthracis. J.Mol.Biol., 420, 2012
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7WAL
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![BU of 7wal by Molmil](/molmil-images/mine/7wal) | Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with Co | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Sharma, V, Manickam, Y, Babbar, P, Sharma, A. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol., 253, 2022
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7WAJ
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![BU of 7waj by Molmil](/molmil-images/mine/7waj) | Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) complexed with ATP and Co | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Sharma, V, Manickam, Y, Babbar, P, Sharma, A. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol., 253, 2022
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7WAI
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![BU of 7wai by Molmil](/molmil-images/mine/7wai) | Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) | Descriptor: | CHLORIDE ION, Glutamyl-tRNA synthetase | Authors: | Sharma, V, Manickam, Y, Harlos, K, Sharma, A. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol., 253, 2022
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2YLZ
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![BU of 2ylz by Molmil](/molmil-images/mine/2ylz) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Met446Gly MUTANT | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHENYLACETONE MONOOXYGENASE, SULFATE ION | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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7WAO
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![BU of 7wao by Molmil](/molmil-images/mine/7wao) | Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with Mn | Descriptor: | CHLORIDE ION, Glutamyl-tRNA synthetase, MANGANESE (II) ION | Authors: | Sharma, V, Manickam, Y, Babbar, P, Sharma, A. | Deposit date: | 2021-12-14 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.582 Å) | Cite: | Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol., 253, 2022
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4P9E
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2YLW
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![BU of 2ylw by Molmil](/molmil-images/mine/2ylw) | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: Arg337Lys MUTANT IN COMPLEX WITH MES | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | Deposit date: | 2011-06-06 | Release date: | 2011-06-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization. J.Biol.Chem., 286, 2011
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2YNH
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![BU of 2ynh by Molmil](/molmil-images/mine/2ynh) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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1AGP
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![BU of 1agp by Molmil](/molmil-images/mine/1agp) | THREE-DIMENSIONAL STRUCTURES AND PROPERTIES OF A TRANSFORMING AND A NONTRANSFORMING GLY-12 MUTANT OF P21-H-RAS | Descriptor: | C-H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Franken, S.M, Scheidig, A.J, Wittinghofer, A, Goody, R.S. | Deposit date: | 1993-03-29 | Release date: | 1994-04-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras. Biochemistry, 32, 1993
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3ZF6
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![BU of 3zf6 by Molmil](/molmil-images/mine/3zf6) | Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase D81A D110C S168C mutant with dUpNHpp). | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DUTPASE, NICKEL (II) ION | Authors: | Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R. | Deposit date: | 2012-12-10 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism. Mol.Cell, 49, 2013
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3K5V
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![BU of 3k5v by Molmil](/molmil-images/mine/3k5v) | Structure of Abl kinase in complex with imatinib and GNF-2 | Descriptor: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | Authors: | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | Deposit date: | 2009-10-08 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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3ZF1
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![BU of 3zf1 by Molmil](/molmil-images/mine/3zf1) | Phage dUTPases control transfer of virulence genes by a proto- oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase D81N mutant with dUpNHpp). | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, NICKEL (II) ION | Authors: | Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R. | Deposit date: | 2012-12-10 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism. Mol.Cell, 49, 2013
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4PIE
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![BU of 4pie by Molmil](/molmil-images/mine/4pie) | Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor | Descriptor: | ACETATE ION, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, Pre-protein VI, ... | Authors: | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, C, Erbel, C, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | Deposit date: | 2014-05-08 | Release date: | 2014-09-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and structure-based optimization of adenain inhibitors. Acs Med.Chem.Lett., 5, 2014
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3ZF5
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![BU of 3zf5 by Molmil](/molmil-images/mine/3zf5) | Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y84F mutant with dUpNHpp). | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, MAGNESIUM ION, ... | Authors: | Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R. | Deposit date: | 2012-12-10 | Release date: | 2013-01-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism. Mol.Cell, 49, 2013
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3K8H
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![BU of 3k8h by Molmil](/molmil-images/mine/3k8h) | Structure of crystal form I of TP0453 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 30kLP | Authors: | Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G. | Deposit date: | 2009-10-14 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices. J.Biol.Chem., 286, 2011
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7WKZ
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![BU of 7wkz by Molmil](/molmil-images/mine/7wkz) | Crystal structure of the HSA complex with mycophenolate and aripiprazole | Descriptor: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, MYCOPHENOLIC ACID, Serum albumin | Authors: | Kawai, A, Yamasaki, K. | Deposit date: | 2022-01-12 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.992 Å) | Cite: | Structural Basis of the Change in the Interaction Between Mycophenolic Acid and Subdomain IIA of Human Serum Albumin During Renal Failure. J.Med.Chem., 66, 2023
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