3CS9
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![BU of 3cs9 by Molmil](/molmil-images/mine/3cs9) | Human ABL kinase in complex with nilotinib | Descriptor: | Nilotinib, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Cowan-Jacob, S.W, Fendrich, G, Manley, P, Liebetanz, J, Fabbro, D. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl Cancer Cell, 7, 2005
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4WZP
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![BU of 4wzp by Molmil](/molmil-images/mine/4wzp) | Ser65 phosphorylated ubiquitin, major conformation | Descriptor: | SULFATE ION, ubiquitin | Authors: | Wauer, T, Wagstaff, J, Freund, S.M.V, Komander, D. | Deposit date: | 2014-11-20 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ubiquitin Ser65 phosphorylation affects ubiquitin structure, chain assembly and hydrolysis. Embo J., 34, 2015
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4X2J
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![BU of 4x2j by Molmil](/molmil-images/mine/4x2j) | Selection of fragments for kinase inhibitor design: decoration is key | Descriptor: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | Deposit date: | 2014-11-26 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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3A31
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![BU of 3a31 by Molmil](/molmil-images/mine/3a31) | Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix (selenomethionine derivative) | Descriptor: | Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION | Authors: | Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A. | Deposit date: | 2009-06-07 | Release date: | 2009-10-27 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain J.Mol.Biol., 394, 2009
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371D
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![BU of 371d by Molmil](/molmil-images/mine/371d) | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3') | Authors: | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | Deposit date: | 1997-12-19 | Release date: | 1998-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG) J.Biomol.Struct.Dyn., 15, 1997
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4QI8
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![BU of 4qi8 by Molmil](/molmil-images/mine/4qi8) | Lytic polysaccharide monooxygenase 9F from Neurospora crassa, NcLPMO9F | Descriptor: | COPPER (II) ION, Lytic polysaccharide monooxygenase, NITRATE ION | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | Deposit date: | 2014-05-30 | Release date: | 2015-07-15 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation. Nat Commun, 6, 2015
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4WYP
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![BU of 4wyp by Molmil](/molmil-images/mine/4wyp) | The crystal structure of the A109G mutant of RNase A in complex with 5'AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | Deposit date: | 2014-11-17 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity. Structure, 23, 2015
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3AAU
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![BU of 3aau by Molmil](/molmil-images/mine/3aau) | Bovine beta-trypsin bound to meta-diguanidino schiff base copper (II) chelate | Descriptor: | CALCIUM ION, COPPER (II) ION, Cationic trypsin, ... | Authors: | Iyaguchi, D, Kawano, S, Toyota, E. | Deposit date: | 2009-11-26 | Release date: | 2010-04-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Bioorg.Med.Chem., 18, 2010
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4QLI
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4WX7
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![BU of 4wx7 by Molmil](/molmil-images/mine/4wx7) | Crystal structure of adenovirus 8 protease with a nitrile inhibitor | Descriptor: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
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3A3Z
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![BU of 3a3z by Molmil](/molmil-images/mine/3a3z) | Crystal structure of the human VDR ligand binding domain bound to the synthetic agonist compound 2alpha-methyl-AMCR277A(C23S) | Descriptor: | (1S,2S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-2-methyl-9,10-secoandrosta-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Sato, Y, Antony, P, Huet, T, Sigueiro, R, Rochel, N, Moras, D, Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2009-06-25 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure-function relationships and crystal structures of the vitamin D receptor bound 2 alpha-methyl-(20S,23S)- and 2 alpha-methyl-(20S,23R)-epoxymethano-1 alpha,25-dihydroxyvitamin D3 J.Med.Chem., 53, 2010
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4WX6
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![BU of 4wx6 by Molmil](/molmil-images/mine/4wx6) | Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor | Descriptor: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
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6OQ2
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![BU of 6oq2 by Molmil](/molmil-images/mine/6oq2) | |
4WYN
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6OI2
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![BU of 6oi2 by Molmil](/molmil-images/mine/6oi2) | Crystal structure of human WDR5 in complex with symmetric dimethyl-L-arginine | Descriptor: | GLYCEROL, N3, N4-DIMETHYLARGININE, ... | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | Deposit date: | 2019-04-08 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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370D
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![BU of 370d by Molmil](/molmil-images/mine/370d) | STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG) | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3'), MAGNESIUM ION | Authors: | Fernandez, L.G, Subirana, J.A, Verdaguer, N, Pyshnyi, D, Campos, L. | Deposit date: | 1997-12-19 | Release date: | 1998-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural variability of A-DNA in crystals of the octamer d(pCpCpCpGpCpGpGpG) J.Biomol.Struct.Dyn., 15, 1997
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382D
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4QI3
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![BU of 4qi3 by Molmil](/molmil-images/mine/4qi3) | Cytochrome domain of Myriococcum thermophilum cellobiose dehydrogenase, MtCYT | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, MAGNESIUM ION, ... | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | Deposit date: | 2014-05-30 | Release date: | 2015-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation. Nat Commun, 6, 2015
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6OTX
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![BU of 6otx by Molmil](/molmil-images/mine/6otx) | Crystallographic Structure of (HbII-HbIII)-O2 from Lucina pectinata at pH 7.0 | Descriptor: | Hemoglobin II, Hemoglobin III, OXYGEN MOLECULE, ... | Authors: | Marchany-Rivera, D, Smith, C.A, Rodriguez-Perez, J.D, Lopez-Garriga, J. | Deposit date: | 2019-05-03 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.539 Å) | Cite: | Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility. J.Inorg.Biochem., 207, 2020
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3A78
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![BU of 3a78 by Molmil](/molmil-images/mine/3a78) | Crystal structure of the human VDR ligand binding domain bound to the natural metabolite 1alpha,25-dihydroxy-3-epi-vitamin D3 | Descriptor: | (1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol, SULFATE ION, Vitamin D3 receptor | Authors: | Sato, Y, Sigueiro, R, Antony, P, Rochel, N, Moras, D. | Deposit date: | 2009-09-18 | Release date: | 2010-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of the activation of the human Vitamin D receptor by the natural metabolite 1alpha,25-dihydroxy-3-epi-vitamin D3 To be Published
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8HGM
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![BU of 8hgm by Molmil](/molmil-images/mine/8hgm) | Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-11 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-11 Fab heavy chain, NIV-11 Fab light chain, ... | Authors: | Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y. | Deposit date: | 2022-11-15 | Release date: | 2023-10-25 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants. Nat Commun, 14, 2023
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4HXT
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![BU of 4hxt by Molmil](/molmil-images/mine/4hxt) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR329 | Descriptor: | De Novo Protein OR329 | Authors: | Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Maglaqui, M, Xiao, X, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-11-12 | Release date: | 2012-11-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. NAT.CHEM., 9, 2017
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4X2G
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![BU of 4x2g by Molmil](/molmil-images/mine/4x2g) | Selection of fragments for kinase inhibitor design: decoration is key | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, ... | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | Deposit date: | 2014-11-26 | Release date: | 2015-08-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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7PQ5
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![BU of 7pq5 by Molmil](/molmil-images/mine/7pq5) | Photorhabdus laumondii T6SS-associated Rhs protein carrying the Tre23 toxin domain | Descriptor: | Tre23 | Authors: | Jurenas, D, Talachia Rosa, L, Rey, M, Chamot-Rooke, J, Fronzes, R, Cascales, E. | Deposit date: | 2021-09-16 | Release date: | 2021-12-01 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Mounting, structure and autocleavage of a type VI secretion-associated Rhs polymorphic toxin. Nat Commun, 12, 2021
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4X3C
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![BU of 4x3c by Molmil](/molmil-images/mine/4x3c) | |