5BVF
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![BU of 5bvf by Molmil](/molmil-images/mine/5bvf) | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Ma, X, Steven, S. | Deposit date: | 2015-06-05 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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7WK5
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![BU of 7wk5 by Molmil](/molmil-images/mine/7wk5) | Cryo-EM structure of Omicron S-ACE2, C2 state | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | Authors: | Han, W.Y, Wang, Y.F. | Deposit date: | 2022-01-08 | Release date: | 2022-02-02 | Last modified: | 2022-03-09 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Molecular basis of SARS-CoV-2 Omicron variant receptor engagement and antibody evasion and neutralization Biorxiv, 2022
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7WK4
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2MK5
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![BU of 2mk5 by Molmil](/molmil-images/mine/2mk5) | Solution structure of a protein domain | Descriptor: | Endolysin | Authors: | Feng, Y, Gu, J. | Deposit date: | 2014-01-24 | Release date: | 2014-05-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin. Plos Pathog., 10, 2014
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7WK6
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2FLA
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![BU of 2fla by Molmil](/molmil-images/mine/2fla) | Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | Authors: | Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A. | Deposit date: | 2006-01-05 | Release date: | 2006-12-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study. To be Published
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7V26
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![BU of 7v26 by Molmil](/molmil-images/mine/7v26) | XG005-bound SARS-CoV-2 S | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, XG005 Heavy chain, ... | Authors: | Zhan, W.Q, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2021-08-07 | Release date: | 2021-10-20 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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6KIH
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![BU of 6kih by Molmil](/molmil-images/mine/6kih) | Sucrose-phosphate synthase (tll1590) from Thermosynechococcus elongatus | Descriptor: | 6-O-phosphono-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Tll1590 protein, URIDINE-5'-DIPHOSPHATE | Authors: | Su, J. | Deposit date: | 2019-07-18 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Co-crystal Structure ofThermosynechococcus elongatusSucrose Phosphate Synthase With UDP and Sucrose-6-Phosphate Provides Insight Into Its Mechanism of Action Involving an Oxocarbenium Ion and the Glycosidic Bond. Front Microbiol, 11, 2020
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2QHB
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5IIS
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![BU of 5iis by Molmil](/molmil-images/mine/5iis) | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold | Descriptor: | 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C, Bussiere, D, Burger, M. | Deposit date: | 2016-03-01 | Release date: | 2016-04-06 | Last modified: | 2016-05-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold. Bioorg.Med.Chem.Lett., 26, 2016
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7WK2
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![BU of 7wk2 by Molmil](/molmil-images/mine/7wk2) | SARS-CoV-2 Omicron S-close | Descriptor: | Spike glycoprotein | Authors: | Li, J.W, Cong, Y. | Deposit date: | 2022-01-08 | Release date: | 2022-01-26 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022
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7WKA
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7WK9
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7WK8
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![BU of 7wk8 by Molmil](/molmil-images/mine/7wk8) | |
4LYN
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![BU of 4lyn by Molmil](/molmil-images/mine/4lyn) | Crystal structure of cyclin-dependent kinase 2 (cdk2-wt) complex with (2s)-n-(5-(((5-tert-butyl-1,3-oxazol-2-yl)methyl)sulfanyl)-1,3-thiazol-2-yl)-2-phenylpropanamide | Descriptor: | (2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide, Cyclin-dependent kinase 2 | Authors: | Sack, J.S. | Deposit date: | 2013-07-31 | Release date: | 2013-10-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Aminothiazole Inhibitors of Cyclin-Dependent Kinase 2: Synthesis, X-Ray Crystallographic Analysis, and Biological Activities J.Med.Chem., 45, 2002
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7WVO
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![BU of 7wvo by Molmil](/molmil-images/mine/7wvo) | SARS-CoV-2 Omicron S-open-2 | Descriptor: | Spike glycoprotein | Authors: | Li, J.W, Cong, Y. | Deposit date: | 2022-02-10 | Release date: | 2022-03-02 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022
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7WVN
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![BU of 7wvn by Molmil](/molmil-images/mine/7wvn) | SARS-CoV-2 Omicron S-open | Descriptor: | Spike glycoprotein | Authors: | Li, J.W, Cong, Y. | Deposit date: | 2022-02-10 | Release date: | 2022-03-02 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022
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7V2A
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![BU of 7v2a by Molmil](/molmil-images/mine/7v2a) | SARS-CoV-2 Spike trimer in complex with XG014 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | Authors: | Wang, K, Wang, X, Pan, L. | Deposit date: | 2021-08-07 | Release date: | 2021-10-20 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope. Protein Cell, 13, 2022
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4MH1
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4MBS
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![BU of 4mbs by Molmil](/molmil-images/mine/4mbs) | Crystal Structure of the CCR5 Chemokine Receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide, Chimera protein of C-C chemokine receptor type 5 and Rubredoxin, ... | Authors: | Tan, Q, Zhu, Y, Han, G.W, Li, J, Fenalti, G, Liu, H, Cherezov, V, Stevens, R.C, GPCR Network (GPCR), Zhao, Q, Wu, B. | Deposit date: | 2013-08-19 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex. Science, 341, 2013
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4V68
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![BU of 4v68 by Molmil](/molmil-images/mine/4v68) | T. thermophilus 70S ribosome in complex with mRNA, tRNAs and EF-Tu.GDP.kirromycin ternary complex, fitted to a 6.4 A Cryo-EM map. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Schuette, J.-C, Spahn, C.M.T. | Deposit date: | 2008-12-11 | Release date: | 2014-07-09 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | GTPase activation of elongation factor EF-Tu by the ribosome during decoding Embo J., 28, 2009
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4LSW
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4W9N
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![BU of 4w9n by Molmil](/molmil-images/mine/4w9n) | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan | Descriptor: | CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, IMIDAZOLE, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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4W82
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![BU of 4w82 by Molmil](/molmil-images/mine/4w82) | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase | Descriptor: | CHLORIDE ION, Fatty acid synthase, MAGNESIUM ION, ... | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | Deposit date: | 2014-08-22 | Release date: | 2014-10-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition. J.Biol.Chem., 289, 2014
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3T9I
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![BU of 3t9i by Molmil](/molmil-images/mine/3t9i) | Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution | Descriptor: | 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol, Proto-oncogene serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C, Shu, W, Le, V, Nishiguchi, G, Bussiere, D. | Deposit date: | 2011-08-02 | Release date: | 2011-10-12 | Last modified: | 2011-11-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases. Bioorg.Med.Chem.Lett., 21, 2011
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