3QO0
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4BAZ
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4BB5
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![BU of 4bb5 by Molmil](/molmil-images/mine/4bb5) | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | Descriptor: | 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | Deposit date: | 2012-09-20 | Release date: | 2012-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors J.Med.Chem., 55, 2012
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4BB6
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![BU of 4bb6 by Molmil](/molmil-images/mine/4bb6) | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | Descriptor: | 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | Deposit date: | 2012-09-20 | Release date: | 2012-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Free-Wilson and Structural Approaches to Co- Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors J.Med.Chem., 55, 2012
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5UQO
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5OA5
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![BU of 5oa5 by Molmil](/molmil-images/mine/5oa5) | CELLOBIOHYDROLASE I (CEL7A) FROM HYPOCREA JECORINA WITH IMPROVED THERMAL STABILITY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, GLYCEROL | Authors: | Goedegebuur, F, Hansson, H, Karkehabadi, S, Mikkelsen, N, Stahlberg, J, Sandgren, M. | Deposit date: | 2017-06-20 | Release date: | 2017-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improving the thermal stability of cellobiohydrolase Cel7A from Hypocrea jecorina by directed evolution. J. Biol. Chem., 292, 2017
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5UQQ
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5NYP
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![BU of 5nyp by Molmil](/molmil-images/mine/5nyp) | Anbu from Hyphomicrobium sp. strain MC1 - SG: R32 | Descriptor: | Anbu, PHOSPHATE ION, SODIUM ION | Authors: | Vielberg, M.-T, Groll, M. | Deposit date: | 2017-05-11 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | On the Trails of the Proteasome Fold: Structural and Functional Analysis of the Ancestral beta-Subunit Protein Anbu. J. Mol. Biol., 430, 2018
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5NYF
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5NYG
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5V60
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![BU of 5v60 by Molmil](/molmil-images/mine/5v60) | Phospho-ERK2 bound to AMP-PCP | Descriptor: | GLYCEROL, MAGNESIUM ION, Mitogen-activated protein kinase 1, ... | Authors: | Lechtenberg, B.C, Riedl, S.J. | Deposit date: | 2017-03-15 | Release date: | 2017-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
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5V62
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![BU of 5v62 by Molmil](/molmil-images/mine/5v62) | Phospho-ERK2 bound to bivalent inhibitor SBP3 | Descriptor: | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ... | Authors: | Lechtenberg, B.C, Riedl, S.J. | Deposit date: | 2017-03-15 | Release date: | 2017-07-26 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
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5V61
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![BU of 5v61 by Molmil](/molmil-images/mine/5v61) | Phospho-ERK2 bound to bivalent inhibitor SBP2 | Descriptor: | 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid, 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, ... | Authors: | Lechtenberg, B.C, Riedl, S.J. | Deposit date: | 2017-03-15 | Release date: | 2017-07-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors. ACS Med Chem Lett, 8, 2017
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5TVP
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5VAC
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![BU of 5vac by Molmil](/molmil-images/mine/5vac) | Crystal Structure of ATXR5 SET domain in complex with K36me3 histone H3 peptide | Descriptor: | DIMETHYL SULFOXIDE, Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, ... | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.F. | Deposit date: | 2017-03-24 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Res., 45, 2017
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5OPF
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![BU of 5opf by Molmil](/molmil-images/mine/5opf) | Structure of LPMO10B from from Micromonospora aurantiaca | Descriptor: | COPPER (II) ION, Chitin-binding domain 3 protein | Authors: | Forsberg, Z, Bissaro, B, Gullesen, J, Dalhus, B, Vaaje-Kolstad, G, Eijsink, V.G.H. | Deposit date: | 2017-08-09 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.081 Å) | Cite: | Structural determinants of bacterial lytic polysaccharide monooxygenase functionality. J. Biol. Chem., 293, 2018
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5TVQ
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5VAH
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![BU of 5vah by Molmil](/molmil-images/mine/5vah) | Crystal structure of ATXR5 SET domain in complex with histone H3 di-methylated on R26 | Descriptor: | Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. | Deposit date: | 2017-03-26 | Release date: | 2017-04-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Res., 45, 2017
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5VAB
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![BU of 5vab by Molmil](/molmil-images/mine/5vab) | Crystal structure of ATXR5 PHD domain in complex with histone H3 | Descriptor: | ATXR5 PHD domain, Histone H3 peptide, ZINC ION | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. | Deposit date: | 2017-03-24 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Res., 45, 2017
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5VA6
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![BU of 5va6 by Molmil](/molmil-images/mine/5va6) | CRYSTAL STRUCTURE OF ATXR5 IN COMPLEX WITH HISTONE H3.1 MONO-METHYLATED ON R26 | Descriptor: | Histone H3.1, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. | Deposit date: | 2017-03-24 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Res., 45, 2017
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5VYB
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![BU of 5vyb by Molmil](/molmil-images/mine/5vyb) | Structure of the carbohydrate recognition domain of Dectin-2 complexed with a mammalian-type high mannose Man9GlcNAc2 oligosaccharide | Descriptor: | C-type lectin domain family 6 member A, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Feinberg, H, Jegouzo, S.A.F, Rex, M.J, Drickamer, K, Taylor, M.E, Weis, W.I. | Deposit date: | 2017-05-24 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanism of pathogen recognition by human dectin-2. J. Biol. Chem., 292, 2017
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2AIB
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![BU of 2aib by Molmil](/molmil-images/mine/2aib) | beta-cinnamomin in complex with ergosterol | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-elicitin cinnamomin, ERGOSTEROL, ... | Authors: | Rodrigues, M.L, Archer, M, Martel, P, Miranda, S, Thomaz, M, Enguita, F.J, Baptista, R.P, Melo, E.P, Sousa, N, Cravador, A, Carrondo, M.A. | Deposit date: | 2005-07-29 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structures of the free and sterol-bound forms of beta-cinnamomin Biochim.Biophys.Acta, 1764, 2006
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1LGL
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![BU of 1lgl by Molmil](/molmil-images/mine/1lgl) | Solution structure of HERG-specific scorpion toxin BeKm-1 | Descriptor: | BeKm-1 toxin | Authors: | Korolokova, Y.V, Bocharov, E.V, Angelo, K, Maslennikov, I.V, Grinenko, O.V, Lipkin, A.V, Nosireva, E.D, Pluzhnikov, K.A, Olesen, S.-P, Arseniev, A.S, Grishin, E.V. | Deposit date: | 2002-04-16 | Release date: | 2002-11-20 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | New binding site on common molecular scaffold provides HERG channel specificity of scorpion toxin BeKm-1. J.Biol.Chem., 277, 2002
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2N7G
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1J5J
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![BU of 1j5j by Molmil](/molmil-images/mine/1j5j) | Solution structure of HERG-specific scorpion toxin BeKm-1 | Descriptor: | BeKm-1 toxin | Authors: | Korolokova, Y.V, Bocharov, E.V, Angelo, K, Maslennikov, I.V, Grinenko, O.V, Lipkin, A.V, Nosireva, E.D, Pluzhnikov, K.A, Olesen, S.-P, Arseniev, A.S, Grishin, E.V. | Deposit date: | 2002-04-16 | Release date: | 2002-11-20 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | New binding site on common molecular scaffold provides HERG channel specificity of scorpion toxin BeKm-1. J.Biol.Chem., 277, 2002
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