6BE0
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![BU of 6be0 by Molmil](/molmil-images/mine/6be0) | AvrA delL154 with IP6, CoA | Descriptor: | AvrA, COENZYME A, INOSITOL HEXAKISPHOSPHATE | Authors: | Labriola, J.M, Nagar, B. | Deposit date: | 2017-10-24 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.438 Å) | Cite: | Structural Analysis of the Bacterial Effector AvrA Identifies a Critical Helix Involved in Substrate Recognition. Biochemistry, 57, 2018
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6AUD
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![BU of 6aud by Molmil](/molmil-images/mine/6aud) | PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine | Descriptor: | 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Ultsch, M. | Deposit date: | 2017-08-31 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles. ACS Med Chem Lett, 8, 2017
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5JYG
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![BU of 5jyg by Molmil](/molmil-images/mine/5jyg) | |
5UA6
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![BU of 5ua6 by Molmil](/molmil-images/mine/5ua6) | Ocellatin-LB1, solution structure in SDS micelle by NMR spectroscopy | Descriptor: | Ocellatin-LB1 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-19 | Release date: | 2017-03-29 | Last modified: | 2018-04-18 | Method: | SOLUTION NMR | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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6AVH
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![BU of 6avh by Molmil](/molmil-images/mine/6avh) | GH3.15 acyl acid amido synthetase | Descriptor: | ADENOSINE MONOPHOSPHATE, GH3.15 acyl acid amido synthetase | Authors: | Sherp, A.M, Jez, J.M. | Deposit date: | 2017-09-02 | Release date: | 2018-02-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.011 Å) | Cite: | Arabidopsis thalianaGH3.15 acyl acid amido synthetase has a highly specific substrate preference for the auxin precursor indole-3-butyric acid. J. Biol. Chem., 293, 2018
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5U9R
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![BU of 5u9r by Molmil](/molmil-images/mine/5u9r) | Ocellatin-LB2, solution structure in TFE by NMR spectroscopy | Descriptor: | Ocellatin-LB2 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, Verly, R.M, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-18 | Release date: | 2017-03-29 | Last modified: | 2018-04-18 | Method: | SOLUTION NMR | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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5U9Q
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![BU of 5u9q by Molmil](/molmil-images/mine/5u9q) | Ocellatin-LB1 | Descriptor: | Ocellatin-LB1 | Authors: | Gusmao, K.A.G, Santos, D.M, de Lima, M.E, Pilo-Veloso, D, Resende, J.M. | Deposit date: | 2016-12-17 | Release date: | 2017-12-13 | Last modified: | 2018-04-18 | Method: | SOLUTION NMR | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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5K8W
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![BU of 5k8w by Molmil](/molmil-images/mine/5k8w) | Crystal structure of mouse CARM1 in complex with inhibitor U2 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-05-31 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor U2 To Be Published
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5JRI
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![BU of 5jri by Molmil](/molmil-images/mine/5jri) | Structure of an oxidoreductase SeMet-labelled from Synechocystis sp. PCC6803 | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulfide oxidoreductase, ... | Authors: | Buey, R.M, de Pereda, J.M, Balsera, M. | Deposit date: | 2016-05-06 | Release date: | 2017-11-15 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UA7
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![BU of 5ua7 by Molmil](/molmil-images/mine/5ua7) | Ocellatin-LB2, solution structure in SDS micelle by NMR spectroscopy | Descriptor: | Ocellatin-LB2 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-19 | Release date: | 2017-03-29 | Last modified: | 2018-04-18 | Method: | SOLUTION NMR | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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5XMH
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![BU of 5xmh by Molmil](/molmil-images/mine/5xmh) | Crystal structure of an IgM rheumatoid factor YES8c in complex with IgG1 Fc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, ... | Authors: | Shiroishi, M, Shimokawa, K, Lee, J.M, Kusakabe, M, Ueda, T. | Deposit date: | 2017-05-15 | Release date: | 2018-03-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-function analyses of a stereotypic rheumatoid factor unravel the structural basis for germline-encoded antibody autoreactivity. J. Biol. Chem., 293, 2018
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5U9X
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![BU of 5u9x by Molmil](/molmil-images/mine/5u9x) | Ocellatin-LB2 | Descriptor: | Ocellatin-K1 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-18 | Release date: | 2017-03-01 | Method: | SOLUTION NMR | Cite: | Ocellatin-LB2 To Be Published
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5K8X
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![BU of 5k8x by Molmil](/molmil-images/mine/5k8x) | Crystal structure of mouse CARM1 in complex with inhibitor U3 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-05-31 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor U3 To Be Published
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5XWB
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![BU of 5xwb by Molmil](/molmil-images/mine/5xwb) | Crystal Structure of 5-Enolpyruvulshikimate-3-phosphate Synthase from a Psychrophilic Bacterium, Colwellia psychrerythraea | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase | Authors: | Lee, J.H, Kim, H.J, Choi, J.M, Kim, D.-W, Seo, Y.-S. | Deposit date: | 2017-06-29 | Release date: | 2017-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of 5-enolpyruvylshikimate-3-phosphate synthase from a psychrophilic bacterium, Colwellia psychrerythraea 34H. Biochem. Biophys. Res. Commun., 492, 2017
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5U9S
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![BU of 5u9s by Molmil](/molmil-images/mine/5u9s) | Ocellatin-F1, solution structure in TFE by NMR spectroscopy | Descriptor: | Ocellatin-F1 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-18 | Release date: | 2017-03-29 | Method: | SOLUTION NMR | Cite: | Ocellatin-F1 To Be Published
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5U9Y
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![BU of 5u9y by Molmil](/molmil-images/mine/5u9y) | Ocellatin-F1 | Descriptor: | Ocellatin-K1 | Authors: | Gusmao, K.A.G, dos Santos, D.M, Santos, V.M, Pilo-Veloso, D, de Lima, M.E, Resende, J.M. | Deposit date: | 2016-12-18 | Release date: | 2017-03-01 | Last modified: | 2018-04-18 | Method: | SOLUTION NMR | Cite: | NMR structures in different membrane environments of three ocellatin peptides isolated from Leptodactylus labyrinthicus. Peptides, 103, 2018
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5UGR
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![BU of 5ugr by Molmil](/molmil-images/mine/5ugr) | Malyl-CoA lyase from Methylobacterium extorquens | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Malyl-CoA lyase/beta-methylmalyl-CoA lyase, ... | Authors: | Gonzalez, J.M. | Deposit date: | 2017-01-09 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structure of Methylobacterium extorquens malyl-CoA lyase: CoA-substrate binding correlates with domain shift. Acta Crystallogr F Struct Biol Commun, 73, 2017
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6B3U
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![BU of 6b3u by Molmil](/molmil-images/mine/6b3u) | Solution Structure of HIV-1 GP41 Transmembrane Domain in Bicelles | Descriptor: | HIV-1 GP41 Transmembrane Domain | Authors: | Chiliveri, S.C, Louis, J.M, Ghirlando, R, Baber, J.L, Bax, A. | Deposit date: | 2017-09-24 | Release date: | 2018-01-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Tilted, Uninterrupted, Monomeric HIV-1 gp41 Transmembrane Helix from Residual Dipolar Couplings. J. Am. Chem. Soc., 140, 2018
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5K8R
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![BU of 5k8r by Molmil](/molmil-images/mine/5k8r) | Structure of human clustered protocadherin gamma B3 EC1-4 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Nicoludis, J.M, Vogt, B.E, Gaudet, R. | Deposit date: | 2016-05-30 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antiparallel protocadherin homodimers use distinct affinity- and specificity-mediating regions in cadherin repeats 1-4. Elife, 5, 2016
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6BHR
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![BU of 6bhr by Molmil](/molmil-images/mine/6bhr) | HIV-1 immature CTD-SP1 hexamer in complex with IP6 | Descriptor: | Capsid protein p24,Spacer peptide 1, INOSITOL HEXAKISPHOSPHATE | Authors: | Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. | Deposit date: | 2017-10-31 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.908 Å) | Cite: | Inositol phosphates are assembly co-factors for HIV-1. Nature, 560, 2018
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5K6P
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![BU of 5k6p by Molmil](/molmil-images/mine/5k6p) | The NMR structure of the m domain tri-helix bundle and C2 of human cardiac Myosin Binding Protein C | Descriptor: | Myosin-binding protein C, cardiac-type | Authors: | Michie, K.A, Kwan, A.H, Tung, C.S, Guss, J.M, Trewhella, J. | Deposit date: | 2016-05-25 | Release date: | 2016-11-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Highly Conserved Yet Flexible Linker Is Part of a Polymorphic Protein-Binding Domain in Myosin-Binding Protein C. Structure, 24, 2016
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5V7L
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![BU of 5v7l by Molmil](/molmil-images/mine/5v7l) | |
5YD4
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![BU of 5yd4 by Molmil](/molmil-images/mine/5yd4) | |
5UNH
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![BU of 5unh by Molmil](/molmil-images/mine/5unh) | Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide) | Descriptor: | N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor | Authors: | Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V. | Deposit date: | 2017-01-30 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for selectivity and diversity in angiotensin II receptors. Nature, 544, 2017
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5ULV
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![BU of 5ulv by Molmil](/molmil-images/mine/5ulv) | Malate dehydrogenase from Methylobacterium extorquens | Descriptor: | CALCIUM ION, Malate dehydrogenase | Authors: | Gonzalez, J.M. | Deposit date: | 2017-01-25 | Release date: | 2017-02-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Conformational changes on substrate binding revealed by structures of Methylobacterium extorquens malate dehydrogenase. Acta Crystallogr F Struct Biol Commun, 74, 2018
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