7C8K
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![BU of 7c8k by Molmil](/molmil-images/mine/7c8k) | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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5EP6
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![BU of 5ep6 by Molmil](/molmil-images/mine/5ep6) | The crystal structure of NAP1 in complex with TBK1 | Descriptor: | 5-azacytidine-induced protein 2, GLYCEROL, Serine/threonine-protein kinase TBK1 | Authors: | Li, F, Xie, X, Liu, J, Pan, L. | Deposit date: | 2015-11-11 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins. Nat Commun, 7, 2016
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5GP7
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![BU of 5gp7 by Molmil](/molmil-images/mine/5gp7) | Structural basis for the binding between Tankyrase-1 and USP25 | Descriptor: | GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25 | Authors: | Liu, J, Xu, D, Fu, T, Pan, L. | Deposit date: | 2016-08-01 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | USP25 regulates Wnt signaling by controlling the stability of tankyrases Genes Dev., 31, 2017
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4JT8
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![BU of 4jt8 by Molmil](/molmil-images/mine/4jt8) | Crystal Structure of human SIRT3 with ELT inhibitor 28 [4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide[ | Descriptor: | 4-(4-{2-[(2,2-dimethylpropanoyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, ... | Authors: | Dai, H. | Deposit date: | 2013-03-22 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of Thieno[3,2-d]pyrimidine-6-carboxamides as Potent Inhibitors of SIRT1, SIRT2, and SIRT3. J.Med.Chem., 56, 2013
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4ZTY
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![BU of 4zty by Molmil](/molmil-images/mine/4zty) | Neurospora crassa cobalamin-independent methionine synthase complexed with Cd2+ | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, Cobalamin-Independent Methionine synthase, ... | Authors: | Wheatley, R.W, Ng, K.K, Kapoor, M. | Deposit date: | 2015-05-15 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fungal cobalamin-independent methionine synthase: Insights from the model organism, Neurospora crassa. Arch.Biochem.Biophys., 590, 2015
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5F9P
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![BU of 5f9p by Molmil](/molmil-images/mine/5f9p) | Crystal structure study of anthrone oxidase-like protein | Descriptor: | Anthrone oxidase-like protein, GLYCEROL | Authors: | Gao, X, Wu, D, Fan, K, Liu, Z.-J. | Deposit date: | 2015-12-10 | Release date: | 2016-12-14 | Last modified: | 2018-07-18 | Method: | X-RAY DIFFRACTION (2.078 Å) | Cite: | Structure and Function of a C-C Bond Cleaving Oxygenase in Atypical Angucycline Biosynthesis ACS Chem. Biol., 12, 2017
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5M4H
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![BU of 5m4h by Molmil](/molmil-images/mine/5m4h) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | Descriptor: | Heat shock protein HSP 90-alpha, SULFATE ION, [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone | Authors: | Baker, L.M, Brough, P, Surgenor, A. | Deposit date: | 2016-10-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5M4M
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![BU of 5m4m by Molmil](/molmil-images/mine/5m4m) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | Authors: | Baker, L.M, Brough, P, Surgenor, A. | Deposit date: | 2016-10-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5M4P
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![BU of 5m4p by Molmil](/molmil-images/mine/5m4p) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | Authors: | Baker, L.M, Brough, P, Surgenor, A. | Deposit date: | 2016-10-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5M4E
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5M4K
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![BU of 5m4k by Molmil](/molmil-images/mine/5m4k) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | Descriptor: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... | Authors: | Baker, L.M, Brough, P, Surgenor, A. | Deposit date: | 2016-10-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5M4N
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![BU of 5m4n by Molmil](/molmil-images/mine/5m4n) | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase | Descriptor: | CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone, ... | Authors: | Baker, L.M, Brough, P, Surgenor, A. | Deposit date: | 2016-10-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J. Med. Chem., 60, 2017
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5YAY
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![BU of 5yay by Molmil](/molmil-images/mine/5yay) | Crystal structure of KANK1/KIF21A complex | Descriptor: | KN motif and ankyrin repeat domains 1, Kinesin-like protein KIF21A | Authors: | Wei, Z, Pan, W. | Deposit date: | 2017-09-02 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into ankyrin repeat-mediated recognition of the kinesin motor protein KIF21A by KANK1, a scaffold protein in focal adhesion. J. Biol. Chem., 293, 2018
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5WQ4
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![BU of 5wq4 by Molmil](/molmil-images/mine/5wq4) | Crystal structure of OPTN and linear diubiquitin complex | Descriptor: | Optineurin, ubiquitin | Authors: | Li, F, Pan, L. | Deposit date: | 2016-11-23 | Release date: | 2017-12-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into the ubiquitin recognition by OPTN (optineurin) and its regulation by TBK1-mediated phosphorylation. Autophagy, 14, 2018
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6EA7
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![BU of 6ea7 by Molmil](/molmil-images/mine/6ea7) | Structure of EBOV GPcl in complex with the pan-ebolavirus mAb ADI-15878 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | West, B.R, Moyer, C.L, King, L.B, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O. | Deposit date: | 2018-08-02 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.25 Å) | Cite: | Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope. MBio, 9, 2018
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6EA5
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![BU of 6ea5 by Molmil](/molmil-images/mine/6ea5) | Structure of BDBV GPcl in complex with the pan-ebolavirus mAb ADI-15878 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-15878 Fab Heavy Chain, ... | Authors: | King, L.B, West, B.R, Moyer, C.L, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O. | Deposit date: | 2018-08-02 | Release date: | 2018-09-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (4.75 Å) | Cite: | Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope. MBio, 9, 2018
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5YAZ
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![BU of 5yaz by Molmil](/molmil-images/mine/5yaz) | Crystal structure of the ANKRD domain of KANK1 | Descriptor: | ACETATE ION, KN motif and ankyrin repeat domains 1 | Authors: | Wei, Z, Pan, W. | Deposit date: | 2017-09-02 | Release date: | 2017-12-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into ankyrin repeat-mediated recognition of the kinesin motor protein KIF21A by KANK1, a scaffold protein in focal adhesion. J. Biol. Chem., 293, 2018
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7L8I
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![BU of 7l8i by Molmil](/molmil-images/mine/7l8i) | SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21) | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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7L8J
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![BU of 7l8j by Molmil](/molmil-images/mine/7l8j) | SARS-CoV-2 Main Protease (Mpro) in Complex with Rupintrivir (P21212) | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | Authors: | Lockbaum, G.J, Henes, M, Lee, J.M, Timm, J, Nalivaika, E.A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A. | Deposit date: | 2020-12-31 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry, 60, 2021
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5NGB
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7M8L
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![BU of 7m8l by Molmil](/molmil-images/mine/7m8l) | EBOV GP bound to rEBOV-442 and rEBOV-515 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein 1, ... | Authors: | Murin, C.D, Ward, A.B. | Deposit date: | 2021-03-30 | Release date: | 2021-11-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Pan-ebolavirus protective therapy by two multifunctional human antibodies. Cell, 184, 2021
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8K6P
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![BU of 8k6p by Molmil](/molmil-images/mine/8k6p) | Crystal structure of SHARPIN LTM motif | Descriptor: | Sharpin | Authors: | Yan, Z, Pan, L.F. | Deposit date: | 2023-07-25 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN. Biochem.Biophys.Res.Commun., 689, 2023
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8K6Q
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![BU of 8k6q by Molmil](/molmil-images/mine/8k6q) | Crystal structure of HOIL-1L LTM domain | Descriptor: | RanBP-type and C3HC4-type zinc finger-containing protein 1 | Authors: | Yan, Z, Pan, L.F. | Deposit date: | 2023-07-25 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Mechanistic insights into the homo-dimerization of HOIL-1L and SHARPIN. Biochem.Biophys.Res.Commun., 689, 2023
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7PKI
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![BU of 7pki by Molmil](/molmil-images/mine/7pki) | |
2JHD
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![BU of 2jhd by Molmil](/molmil-images/mine/2jhd) | Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 3'-sialyl-N-acetyllactosamine | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S. | Deposit date: | 2007-02-21 | Release date: | 2007-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii. Embo J., 26, 2007
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