5M2X
| Crystal structure of the full-length Zika virus NS5 protein (Human isolate Z1106033) | Descriptor: | NS5, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Ferrero, D.S, Ruiz-Arroyo, V.M, Soler, N, Uson, I, Verdaguer, N. | Deposit date: | 2016-10-13 | Release date: | 2018-06-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (4.991 Å) | Cite: | Supramolecular arrangement of the full-length Zika virus NS5. Plos Pathog., 15, 2019
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5LV3
| Crystal structure of mouse CARM1 in complex with ligand LH1561Br | Descriptor: | 5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one, Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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6QMR
| Complement factor D in complex with the inhibitor (S)-2-(2-((3'-(1-amino-2-hydroxyethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)acetic acid | Descriptor: | 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid, Complement factor D | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | Deposit date: | 2019-02-08 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J.Med.Chem., 62, 2019
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1FGJ
| X-RAY STRUCTURE OF HYDROXYLAMINE OXIDOREDUCTASE | Descriptor: | HEME C, HYDROXYLAMINE OXIDOREDUCTASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tanaka, N, Igarashi, N, Moriyama, H. | Deposit date: | 1997-03-03 | Release date: | 1998-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The 2.8 A structure of hydroxylamine oxidoreductase from a nitrifying chemoautotrophic bacterium, Nitrosomonas europaea. Nat.Struct.Biol., 4, 1997
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1FLM
| DIMER OF FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (MIYAZAKI F) | Descriptor: | FLAVIN MONONUCLEOTIDE, PROTEIN (FMN-BINDING PROTEIN) | Authors: | Suto, K, Kawagoe, K, Shibata, N, Morimoto, K, Higuchi, Y, Kitamura, M, Nakaya, T, Yasuoka, N. | Deposit date: | 1999-03-10 | Release date: | 2000-03-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | How do the x-ray structure and the NMR structure of FMN-binding protein differ? Acta Crystallogr.,Sect.D, 56, 2000
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5LGQ
| Crystal structure of mouse CARM1 in complex with ligand P2C3s | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-propyl-oxolane-3,4-diol, 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, ... | Authors: | Marechal, N, Troffer-Charlier, N, Cura, V, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-07-08 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6QMT
| Complement factor D in complex with the inhibitor 2-(2-(3'-(aminomethyl)-[1,1'-biphenyl]-3-carboxamido)phenyl)acetic acid | Descriptor: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Complement factor D | Authors: | Karki, R, Powers, J, Mainolfi, N, Anderson, K, Belanger, D, Liu, D, Jendza, K, Gelin, C.F, Solovay, C, Mac Sweeeny, A, Delgado, O, Crowley, M, Liao, S.-M, Argikar, U.A, Flohr, S, La Bonte, L.R, Lorthiois, E.L, Vulpetti, A, Cumin, F, Brown, A, Adams, C, Jaffee, B, Mogi, M. | Deposit date: | 2019-02-08 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Preclinical Characterization of Selective Factor D Inhibitors Targeting the Alternative Complement Pathway. J.Med.Chem., 62, 2019
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5LV2
| Crystal structure of mouse CARM1 in complex with inhibitor LH1246 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
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8UH8
| Crystal structure of SARS-CoV-2 main protease E166V (Apo structure) | Descriptor: | ORF1a polyprotein | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-07 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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5LV5
| Crystal structure of mouse PRMT6 in complex with inhibitor LH1458 | Descriptor: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium, Protein arginine N-methyltransferase 6 | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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5LXF
| Crystal structure of the human Macrophage Colony Stimulating Factor M- CSF_C31S variant | Descriptor: | Macrophage colony-stimulating factor 1 | Authors: | Shahar, A, Papo, N, Zarivach, R, Kosloff, M, Bakhman, A, Rosenfeld, L, Zur, Y, Levaot, N. | Deposit date: | 2016-09-21 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a monomeric variant of macrophage colony-stimulating factor (M-CSF) that antagonizes the c-FMS receptor. Biochem. J., 474, 2017
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1IG4
| Solution Structure of the Methyl-CpG-Binding Domain of Human MBD1 in Complex with Methylated DNA | Descriptor: | 5'-D(*GP*TP*AP*TP*CP*(5CM)P*GP*GP*AP*TP*AP*C)-3', Methyl-CpG Binding Protein | Authors: | Ohki, I, Shimotake, N, Fujita, N, Jee, J.-G, Ikegami, T, Nakao, M, Shirakawa, M. | Deposit date: | 2001-04-17 | Release date: | 2001-05-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the methyl-CpG binding domain of human MBD1 in complex with methylated DNA. Cell(Cambridge,Mass.), 105, 2001
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5JMQ
| Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP3 | Descriptor: | 1,2-ETHANEDIOL, 9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine, CALCIUM ION, ... | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-04-29 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors. Febs J., 284, 2017
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8UH5
| Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-06 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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8UH9
| Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-07 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.067 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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7CRZ
| Crystal structure of human glucose transporter GLUT3 bound with C3361 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ... | Authors: | Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N. | Deposit date: | 2020-08-14 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents. Proc.Natl.Acad.Sci.USA, 118, 2021
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1ISR
| Crystal Structure of Metabotropic Glutamate Receptor Subtype 1 Complexed with Glutamate and Gadolinium Ion | Descriptor: | GADOLINIUM ATOM, GLUTAMIC ACID, Metabotropic Glutamate Receptor subtype 1 | Authors: | Tsuchiya, D, Kunishima, N, Kamiya, N, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-21 | Release date: | 2002-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+. Proc.Natl.Acad.Sci.USA, 99, 2002
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5M2Z
| Crystal structure of the full-length Zika virus NS5 protein (Human isolate Z1106033) | Descriptor: | NS5, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Ferrero, D.S, Ruiz-Arroyo, V.M, Soler, N, Uson, I, Verdaguer, N. | Deposit date: | 2016-10-13 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4.8 Å) | Cite: | Supramolecular arrangement of the full-length Zika virus NS5. Plos Pathog., 15, 2019
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5MI8
| Structure of the phosphomimetic mutant of EF-Tu T383E | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Talavera, A, Hendrix, J, Versees, W, De Gieter, S, Castro-Roa, D, Jurenas, D, Van Nerom, K, Vandenberk, N, Barth, A, De Greve, H, Hofkens, J, Zenkin, N, Loris, R, Garcia-Pino, A. | Deposit date: | 2016-11-27 | Release date: | 2017-12-20 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors. Sci Adv, 4, 2018
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1FMO
| CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE | Descriptor: | ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN | Authors: | Narayana, N, Cox, S, Shaltiel, S, Taylor, S.S, Xuong, N.-H. | Deposit date: | 1997-07-08 | Release date: | 1998-01-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine. Biochemistry, 36, 1997
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1TAM
| HUMAN IMMUNODEFICIENCY VIRUS, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | HIV-1 MATRIX PROTEIN | Authors: | Matthews, S, Barlow, P, Clark, N, Kingsman, S, Kingsman, A, Campbell, I. | Deposit date: | 1996-02-07 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refined solution structure of p17, the HIV matrix protein. Biochem.Soc.Trans., 23, 1995
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1E6O
| Crystal structure of Fab13B5 against HIV-1 capsid protein p24 | Descriptor: | IMMUNOGLOBULIN HEAVY CHAIN, IMMUNOGLOBULIN LIGHT CHAIN | Authors: | Monaco-Malbet, S, Berthet-Colominas, C, Novelli, A, Battai, N, Piga, N, Mallet, F, Cusack, S. | Deposit date: | 2000-08-21 | Release date: | 2000-11-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutual Conformational Adaptations in Antigen and Antibody Upon Complex Formation between an Fab and HIV-1 Capsid Protein P24 Structure, 8, 2000
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1G94
| CRYSTAL STRUCTURE ANALYSIS OF THE TERNARY COMPLEX BETWEEN PSYCHROPHILIC ALPHA AMYLASE FROM PSEUDOALTEROMONAS HALOPLANCTIS IN COMPLEX WITH A HEPTA-SACCHARIDE AND A TRIS MOLECULE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Aghajari, N, Roth, M, Haser, R. | Deposit date: | 2000-11-22 | Release date: | 2001-12-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystallographic evidence of a transglycosylation reaction: ternary complexes of a psychrophilic alpha-amylase. Biochemistry, 41, 2002
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1DIO
| DIOL DEHYDRATASE-CYANOCOBALAMIN COMPLEX FROM KLEBSIELLA OXYTOCA | Descriptor: | COBALAMIN, POTASSIUM ION, PROTEIN (DIOL DEHYDRATASE), ... | Authors: | Shibata, N, Masuda, J, Tobimatsu, T, Toraya, T, Suto, K, Morimoto, Y, Yasuoka, N. | Deposit date: | 1999-01-27 | Release date: | 2000-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A new mode of B12 binding and the direct participation of a potassium ion in enzyme catalysis: X-ray structure of diol dehydratase. Structure Fold.Des., 7, 1999
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1UAT
| The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J | Descriptor: | Azurin iso-2, COPPER (II) ION, SULFATE ION | Authors: | Inoue, T, Suzuki, S, Nisho, N, Yamaguchi, K, Kataoka, K, Tobari, J, Yong, X, Hamanaka, S, Matsumura, H, Kai, Y. | Deposit date: | 2003-03-19 | Release date: | 2004-03-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The significance of the flexible loop in the azurin (Az-iso2) from the obligate methylotroph Methylomonas sp. strain J J.Mol.Biol., 333, 2003
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