7UCK
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![BU of 7uck by Molmil](/molmil-images/mine/7uck) | 80S translation initiation complex with ac4c(-1) mRNA and Harringtonine | Descriptor: | 18S rRNA, 28s rRNA, 40S ribosomal protein S10, ... | Authors: | Yang, R, Arango, D, Sturgill, D, Oberdoerffer, S. | Deposit date: | 2022-03-16 | Release date: | 2022-06-01 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Direct epitranscriptomic regulation of mammalian translation initiation through N4-acetylcytidine. Mol.Cell, 82, 2022
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4LQ3
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![BU of 4lq3 by Molmil](/molmil-images/mine/4lq3) | Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor PPNDS | Descriptor: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, 5'-R(P*GP*G)-3', MAGNESIUM ION, ... | Authors: | Milani, M, Tarantino, D, Mastrangelo, E, Croci, R. | Deposit date: | 2013-07-17 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase. Antiviral Res., 102, 2014
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4LQ9
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![BU of 4lq9 by Molmil](/molmil-images/mine/4lq9) | Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex with NAF2 | Descriptor: | MAGNESIUM ION, RNA-dependent RNA-polymerase, naphthalene-1,5-disulfonic acid | Authors: | Milani, M, Tarantino, D, Mastrangelo, E, Croci, R. | Deposit date: | 2013-07-17 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase. Antiviral Res., 102, 2014
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3QW5
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![BU of 3qw5 by Molmil](/molmil-images/mine/3qw5) | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF | Descriptor: | Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ... | Authors: | Kumaran, D, Swaminathan, S. | Deposit date: | 2011-02-26 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3QW8
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![BU of 3qw8 by Molmil](/molmil-images/mine/3qw8) | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ... | Authors: | Kumaran, D, Swaminathan, S. | Deposit date: | 2011-02-27 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3QW7
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![BU of 3qw7 by Molmil](/molmil-images/mine/3qw7) | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | Authors: | Kumaran, D, Swaminathan, S. | Deposit date: | 2011-02-27 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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3QW6
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![BU of 3qw6 by Molmil](/molmil-images/mine/3qw6) | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | Authors: | Kumaran, D, Swaminathan, S. | Deposit date: | 2011-02-26 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling. Acta Crystallogr.,Sect.D, 68, 2012
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6FCE
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![BU of 6fce by Molmil](/molmil-images/mine/6fce) | NMR ensemble of Macrocyclic Peptidomimetic Containing Constrained a,a-dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors | Descriptor: | ACP-HIS-DPHE-ARG-TRP-ASP-NH2 | Authors: | Brancaccio, D, Carotenuto, A, Grieco, P, Merlino, F, Zhou, Y, Cai, M, Yousif, A.M, Di Maro, S, Novellino, E, Hruby, V.J. | Deposit date: | 2017-12-20 | Release date: | 2018-04-25 | Last modified: | 2018-05-23 | Method: | SOLUTION NMR | Cite: | Development of Macrocyclic Peptidomimetics Containing Constrained alpha , alpha-Dialkylated Amino Acids with Potent and Selective Activity at Human Melanocortin Receptors. J. Med. Chem., 61, 2018
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4G5G
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![BU of 4g5g by Molmil](/molmil-images/mine/4g5g) | ef-tu (Escherichia coli) complexed with nvp-ldu796 | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Palestrant, D. | Deposit date: | 2012-07-17 | Release date: | 2012-12-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antibiotic optimization and chemical structure stabilization of thiomuracin A. J.Med.Chem., 55, 2012
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7K40
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![BU of 7k40 by Molmil](/molmil-images/mine/7k40) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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6O2T
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![BU of 6o2t by Molmil](/molmil-images/mine/6o2t) | Acetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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6O2S
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![BU of 6o2s by Molmil](/molmil-images/mine/6o2s) | Deacetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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6O2R
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![BU of 6o2r by Molmil](/molmil-images/mine/6o2r) | Deacetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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6O2Q
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![BU of 6o2q by Molmil](/molmil-images/mine/6o2q) | Acetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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7MHF
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![BU of 7mhf by Molmil](/molmil-images/mine/7mhf) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHG
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![BU of 7mhg by Molmil](/molmil-images/mine/7mhg) | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5302 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHL
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![BU of 7mhl by Molmil](/molmil-images/mine/7mhl) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHM
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![BU of 7mhm by Molmil](/molmil-images/mine/7mhm) | Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5302 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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5LFF
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![BU of 5lff by Molmil](/molmil-images/mine/5lff) | NMR structure of peptide 2 targeting CXCR4 | Descriptor: | ARG-ALA-CYS-ARG-PHE-PHE-CYS | Authors: | Di Maro, S, Trotta, A.M, Brancaccio, D, Di Leva, F.S, La Pietra, V, Ierano, C, Napolitano, M, Portella, L, D'Alterio, C, Siciliano, R.A, Sementa, D, Tomassi, S, Carotenuto, A, Novellino, E, Scala, S, Marinelli, L. | Deposit date: | 2016-07-01 | Release date: | 2016-09-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Exploring the N-Terminal Region of C-X-C Motif Chemokine 12 (CXCL12): Identification of Plasma-Stable Cyclic Peptides As Novel, Potent C-X-C Chemokine Receptor Type 4 (CXCR4) Antagonists. J.Med.Chem., 59, 2016
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6UAN
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![BU of 6uan by Molmil](/molmil-images/mine/6uan) | B-Raf:14-3-3 complex | Descriptor: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | Authors: | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | Deposit date: | 2019-09-11 | Release date: | 2019-09-25 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases. Science, 366, 2019
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6TPW
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![BU of 6tpw by Molmil](/molmil-images/mine/6tpw) | Crystal structures of FNIII domain one through four of the human leucocyte common antigen-related protein ( LAR) | Descriptor: | Receptor-type tyrosine-protein phosphatase F, SULFATE ION | Authors: | Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D. | Deposit date: | 2019-12-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta Crystallogr D Struct Biol, 76, 2020
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6TPU
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![BU of 6tpu by Molmil](/molmil-images/mine/6tpu) | Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR | Descriptor: | CHLORIDE ION, Receptor-type tyrosine-protein phosphatase F | Authors: | Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D. | Deposit date: | 2019-12-14 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta Crystallogr D Struct Biol, 76, 2020
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3D3A
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![BU of 3d3a by Molmil](/molmil-images/mine/3d3a) | |
7MHK
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![BU of 7mhk by Molmil](/molmil-images/mine/7mhk) | Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9601 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MNG
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![BU of 7mng by Molmil](/molmil-images/mine/7mng) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2021-04-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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