1BC4
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![BU of 1bc4 by Molmil](/molmil-images/mine/1bc4) | THE SOLUTION STRUCTURE OF A CYTOTOXIC RIBONUCLEASE FROM THE OOCYTES OF RANA CATESBEIANA (BULLFROG), NMR, 15 STRUCTURES | Descriptor: | RIBONUCLEASE | Authors: | Chang, C.-F, Chen, C, Chen, Y.-C, Hom, K, Huang, R.-F, Huang, T. | Deposit date: | 1998-05-05 | Release date: | 1998-10-14 | Last modified: | 2019-12-25 | Method: | SOLUTION NMR | Cite: | The solution structure of a cytotoxic ribonuclease from the oocytes of Rana catesbeiana (bullfrog). J.Mol.Biol., 283, 1998
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1M07
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![BU of 1m07 by Molmil](/molmil-images/mine/1m07) | RESIDUES INVOLVED IN THE CATALYSIS AND BASE SPECIFICITY OF CYTOTOXIC RIBONUCLEASE FROM BULLFROG (RANA CATESBEIANA) | Descriptor: | 5'-D(*AP*CP*GP*A)-3', Ribonuclease | Authors: | Leu, Y.-J, Chern, S.-S, Wang, S.-C, Hsiao, Y.-Y, Amiraslanov, I, Liaw, Y.-C, Liao, Y.-D. | Deposit date: | 2002-06-12 | Release date: | 2003-01-21 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Residues involved in the catalysis, base specificity, and cytotoxicity of ribonuclease from Rana catesbeiana based upon mutagenesis and X-ray crystallography J.Biol.Chem., 278, 2003
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6IDW
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![BU of 6idw by Molmil](/molmil-images/mine/6idw) | GH6 Orpinomyces sp. Y102 enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Tsai, L.C, Huang, H.C. | Deposit date: | 2018-09-11 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Crystal structures of the GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo and endo activity and its complex with cellobiose. Acta Crystallogr D Struct Biol, 75, 2019
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1KM9
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![BU of 1km9 by Molmil](/molmil-images/mine/1km9) | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) | Descriptor: | PHOSPHATE ION, RIBONUCLEASE, OOCYTES | Authors: | Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C. | Deposit date: | 2001-12-14 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) To be Published
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1KM8
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![BU of 1km8 by Molmil](/molmil-images/mine/1km8) | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) | Descriptor: | PHOSPHATE ION, RIBONUCLEASE, OOCYTES | Authors: | Chern, S.-S, Musayev, F.N, Amiraslanov, I.R, Liao, Y.-D, Liaw, Y.-C. | Deposit date: | 2001-12-14 | Release date: | 2003-09-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of a Cytotoxic Ribonuclease From the Oocyte of Rana Catesbeiana (Bullfrog) To be Published
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5JX5
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![BU of 5jx5 by Molmil](/molmil-images/mine/5jx5) | GH6 Orpinomyces sp. Y102 enzyme | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Tsai, L.C, Huang, H.C. | Deposit date: | 2016-05-12 | Release date: | 2017-05-17 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo- and endo- activity in a complex with cellobiose Acta Crystallogr.,Sect.D, 2019
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7LVN
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![BU of 7lvn by Molmil](/molmil-images/mine/7lvn) | |
7EQV
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![BU of 7eqv by Molmil](/molmil-images/mine/7eqv) | Crystal structure of JMJD2A complexed with 3,4-dihydroxybenzoic acid | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, Lysine-specific demethylase 4A, ... | Authors: | Fang, W.-K, Yang, S.-M, Wang, W.-C. | Deposit date: | 2021-05-04 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Natural product myricetin is a pan-KDM4 inhibitor which with poly lactic-co-glycolic acid formulation effectively targets castration-resistant prostate cancer. J.Biomed.Sci., 29, 2022
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7LTN
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![BU of 7ltn by Molmil](/molmil-images/mine/7ltn) | Crystal structure of Mpro in complex with inhibitor CDD-1713 | Descriptor: | 2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M, Young, D, Melek, N, Chamakuri, S. | Deposit date: | 2021-02-19 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 M pro inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
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2M0K
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![BU of 2m0k by Molmil](/molmil-images/mine/2m0k) | |
2M0J
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![BU of 2m0j by Molmil](/molmil-images/mine/2m0j) | |
7VUE
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![BU of 7vue by Molmil](/molmil-images/mine/7vue) | Structural insight of the molecular mechanism of cilofexor bound to FXR | Descriptor: | 2-[3-[4-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-2-chloranyl-phenyl]-3-oxidanyl-azetidin-1-yl]pyridine-4-carboxylic acid, Bile acid receptor, Peptide from Nuclear receptor coactivator 2 | Authors: | Jiang, L, Chen, Y.C. | Deposit date: | 2021-11-02 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Structural insight into the molecular mechanism of cilofexor binding to the farnesoid X receptor. Biochem.Biophys.Res.Commun., 595, 2022
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6OQI
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![BU of 6oqi by Molmil](/molmil-images/mine/6oqi) | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | Authors: | Murray, J.M. | Deposit date: | 2019-04-26 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6OQO
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![BU of 6oqo by Molmil](/molmil-images/mine/6oqo) | CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine | Descriptor: | Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | Authors: | Murray, J.M, Boenig, G.D.L. | Deposit date: | 2019-04-26 | Release date: | 2020-07-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.977 Å) | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6OQL
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![BU of 6oql by Molmil](/molmil-images/mine/6oql) | CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6 | Authors: | Murray, J.M. | Deposit date: | 2019-04-26 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.707 Å) | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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7URB
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![BU of 7urb by Molmil](/molmil-images/mine/7urb) | Sars-Cov2 Main Protease in complex with CDD-1733 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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7UR9
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![BU of 7ur9 by Molmil](/molmil-images/mine/7ur9) | SARS-Cov2 Main protease in complex with inhibitor CDD-1845 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5 | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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7US4
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![BU of 7us4 by Molmil](/molmil-images/mine/7us4) | Sars-Cov2 Main Protease in complex with CDD-1819 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-22 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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8U89
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![BU of 8u89 by Molmil](/molmil-images/mine/8u89) | The structure of the PP2A-B56Delta holoenzyme mutant - E197K | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | Authors: | Wu, C.G, Xing, Y. | Deposit date: | 2023-09-16 | Release date: | 2024-01-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations. Proc.Natl.Acad.Sci.USA, 121, 2024
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8U1X
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![BU of 8u1x by Molmil](/molmil-images/mine/8u1x) | The structure of the PP2A-B56Delta holoenzyme mutant - E197K | Descriptor: | MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ... | Authors: | Wu, C.G, Xing, Y. | Deposit date: | 2023-09-04 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | B56 delta long-disordered arms form a dynamic PP2A regulation interface coupled with global allostery and Jordan's syndrome mutations. Proc.Natl.Acad.Sci.USA, 121, 2024
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6CAD
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![BU of 6cad by Molmil](/molmil-images/mine/6cad) | Crystal structure of RAF kinase domain bound to the inhibitor 2a | Descriptor: | 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Liu, X, Chen, Y.-C, Prakash, G.K.S, Zhang, C, SIcheri, F. | Deposit date: | 2018-01-30 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Effects of rigidity on the selectivity of protein kinase inhibitors. Eur J Med Chem, 146, 2018
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5W0T
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![BU of 5w0t by Molmil](/molmil-images/mine/5w0t) | |
3K53
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![BU of 3k53 by Molmil](/molmil-images/mine/3k53) | Crystal Structure of NFeoB from P. furiosus | Descriptor: | Ferrous iron transport protein b | Authors: | Eng, E.T, Dong, G, Unger, V.M. | Deposit date: | 2009-10-06 | Release date: | 2010-05-26 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural fold, conservation and Fe(II) binding of the intracellular domain of prokaryote FeoB. J.Struct.Biol., 170, 2010
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7TYQ
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![BU of 7tyq by Molmil](/molmil-images/mine/7tyq) | TEAD2 bound to Compound 1 | Descriptor: | Transcriptional enhancer factor TEF-4, ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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7TYU
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![BU of 7tyu by Molmil](/molmil-images/mine/7tyu) | TEAD2 bound to Compound 2 | Descriptor: | (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional enhancer factor TEF-4 | Authors: | Noland, C.L, Fong, R. | Deposit date: | 2022-02-14 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel mechanism of YAP-TEAD inhibition results in targeted chromatin remodeling and reveals an
expanded Hippo dependent landscape in cancers To Be Published
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