8T4B
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![BU of 8t4b by Molmil](/molmil-images/mine/8t4b) | MD65 N332-GT5 SOSIP in complex with RM_N332_32 Fab and RM20A3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, MD65 N332-GT5 SOSIP gp41, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2023-06-08 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates. Science, 384, 2024
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8T4K
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![BU of 8t4k by Molmil](/molmil-images/mine/8t4k) | MD64 N332-GT5 SOSIP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD64 N332-GT5 SOSIP gp120, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2023-06-09 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates. Science, 384, 2024
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5C8F
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8T4A
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![BU of 8t4a by Molmil](/molmil-images/mine/8t4a) | MD65 N332-GT5 SOSIP in complex with RM_N332_36 Fab and RM20A3 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2023-06-08 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates. Science, 384, 2024
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8T4L
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![BU of 8t4l by Molmil](/molmil-images/mine/8t4l) | MD65 N332-GT5 SOSIP in complex with RM_N332_07 Fab and RM20A3 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MD65 N332-GT5 SOSIP gp120, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2023-06-09 | Release date: | 2024-05-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates. Science, 384, 2024
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5C8A
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6PCU
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![BU of 6pcu by Molmil](/molmil-images/mine/6pcu) | |
4MHO
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![BU of 4mho by Molmil](/molmil-images/mine/4mho) | Crystal structure of Gpb in complex with S3, SUGAR (N-[(BIPHENYL-4-YLOXY)ACETYL]-BETA-D-GLUCOPYRANOSYLAMINE) | Descriptor: | Glycogen phosphorylase, muscle form, N-[(biphenyl-4-yloxy)acetyl]-beta-D-glucopyranosylamine | Authors: | Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2013-08-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines. Bioorg.Med.Chem., 22, 2014
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5C8D
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![BU of 5c8d by Molmil](/molmil-images/mine/5c8d) | |
4MEY
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![BU of 4mey by Molmil](/molmil-images/mine/4mey) | Crystal structure of Escherichia coli RNA polymerase holoenzyme | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Feng, Y, Zhang, Y, Arnold, E, Ebright, R.H. | Deposit date: | 2013-08-27 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.948 Å) | Cite: | Transcription inhibition by the depsipeptide antibiotic salinamide A. Elife, 3, 2014
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4MIC
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![BU of 4mic by Molmil](/molmil-images/mine/4mic) | Crystal structure of Gpb in complex with SUGAR (N-{(2E)-3-[4-(PROPAN-2-YL)PHENYL]PROP-2-ENOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S6) | Descriptor: | Glycogen phosphorylase, muscle form, N-{(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}-beta-D-glucopyranosylamine | Authors: | Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2013-08-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines. Bioorg.Med.Chem., 22, 2014
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8VFV
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![BU of 8vfv by Molmil](/molmil-images/mine/8vfv) | HIV Env BG505_MD39_B16 SOSIP boosting trimer in complex with B16_d77.5 mouse Fab and RM20A3 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B16_d77.5 mouse Fab heavy chain Fv, ... | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | Deposit date: | 2023-12-22 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies. Science, 384, 2024
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5C91
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![BU of 5c91 by Molmil](/molmil-images/mine/5c91) | NEDD4 HECT with covalently bound indole-based inhibitor | Descriptor: | E3 ubiquitin-protein ligase NEDD4, methyl (2E)-4-{[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)carbonyl]amino}but-2-enoate | Authors: | Span, I, Smith, A.T, Kathman, S, Statsyuk, A.V, Rosenzweig, A.C. | Deposit date: | 2015-06-26 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | A Small Molecule That Switches a Ubiquitin Ligase From a Processive to a Distributive Enzymatic Mechanism. J. Am. Chem. Soc., 137, 2015
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4MPH
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![BU of 4mph by Molmil](/molmil-images/mine/4mph) | Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-bound | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein, ... | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-12 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.0301 Å) | Cite: | Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition. Structure, 22, 2014
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4MI9
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![BU of 4mi9 by Molmil](/molmil-images/mine/4mi9) | Crystal structure of Gpb in complex with SUGAR (N-[(3R)-3-(4-ETHYLPHENYL)BUTANOYL]-BETA-D-GLUCOPYRANOSYLAMINE) (S20) | Descriptor: | Glycogen phosphorylase, muscle form, N-[(3R)-3-(4-ethylphenyl)butanoyl]-beta-D-glucopyranosylamine | Authors: | Kantsadi, A.L, Chatzileontiadou, D.S.M, Leonidas, D.D. | Deposit date: | 2013-08-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines. Bioorg.Med.Chem., 22, 2014
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8UPV
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![BU of 8upv by Molmil](/molmil-images/mine/8upv) | Structure of SARS-Cov2 3CLPro in complex with Compound 33 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPW
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![BU of 8upw by Molmil](/molmil-images/mine/8upw) | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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8UPS
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![BU of 8ups by Molmil](/molmil-images/mine/8ups) | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | Deposit date: | 2023-10-23 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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7T2Q
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![BU of 7t2q by Molmil](/molmil-images/mine/7t2q) | PEGylated Calmodulin-1 (K148U) | Descriptor: | CALCIUM ION, Calmodulin-1, MAGNESIUM ION, ... | Authors: | Mackay, J.P, Payne, R.J, Patel, K, Dowman, L.J. | Deposit date: | 2021-12-06 | Release date: | 2022-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine. Nat Commun, 13, 2022
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8UTE
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![BU of 8ute by Molmil](/molmil-images/mine/8ute) | Structure of SARS-Cov2 3CLPro in complex with Compound 27 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | Deposit date: | 2023-10-31 | Release date: | 2024-03-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024
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3K46
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2VPA
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![BU of 2vpa by Molmil](/molmil-images/mine/2vpa) | High resolution crystal structure of the antibiotic resistance protein NimA from Deinococcus radiodurans | Descriptor: | ACETATE ION, NIMA-RELATED PROTEIN, PYRUVIC ACID | Authors: | Leiros, H.-K.S, Tedesco, C, McSweeney, S.M. | Deposit date: | 2008-02-27 | Release date: | 2008-08-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-Resolution Structure of the Antibiotic Resistance Protein Nima from Deinococcus Radiodurans. Acta Crystallogr.,Sect.F, 64, 2008
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3JW6
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![BU of 3jw6 by Molmil](/molmil-images/mine/3jw6) | |
3K4A
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![BU of 3k4a by Molmil](/molmil-images/mine/3k4a) | |
3K33
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![BU of 3k33 by Molmil](/molmil-images/mine/3k33) | Crystal structure of the Phd-Doc complex | Descriptor: | ACETATE ION, Death on curing protein, Polypeptide of unknown amino acids and source, ... | Authors: | Loris, R, Garcia-Pino, A. | Deposit date: | 2009-10-01 | Release date: | 2010-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allostery and intrinsic disorder mediate transcription regulation by conditional cooperativity. Cell(Cambridge,Mass.), 142, 2010
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