4OG7
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![BU of 4og7 by Molmil](/molmil-images/mine/4og7) | Human menin with bound inhibitor MIV-7 | Descriptor: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | Deposit date: | 2014-01-15 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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4OG8
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![BU of 4og8 by Molmil](/molmil-images/mine/4og8) | Human menin with bound inhibitor MIV-6R | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | Deposit date: | 2014-01-15 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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3V3M
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![BU of 3v3m by Molmil](/molmil-images/mine/3v3m) | Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease in Complex with N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide inhibitor. | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide | Authors: | Jacobs, J, Grum-Tokars, V, Zhou, Y, Turlington, M, Saldanha, S.A, Chase, P, Eggler, A, Dawson, E.S, Baez-Santos, Y.M, Tomar, S, Mielech, A.M, Baker, S.C, Lindsley, C.W, Hodder, P, Mesecar, A, Stauffer, S.R. | Deposit date: | 2011-12-13 | Release date: | 2013-01-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease. J.Med.Chem., 56, 2013
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3TCM
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![BU of 3tcm by Molmil](/molmil-images/mine/3tcm) | Crystal Structure of Alanine Aminotransferase from Hordeum vulgare | Descriptor: | Alanine aminotransferase 2, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | Authors: | Rydel, T.J, Sturman, E.J, Halls, C, Chen, S, Zeng, J, Evdokimov, A, Duff, S.M.G. | Deposit date: | 2011-08-09 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | The Enzymology of alanine aminotransferase (AlaAT) isoforms from Hordeum vulgare and other organisms, and the HvAlaAT crystal structure. Arch.Biochem.Biophys., 528, 2012
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2BP4
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![BU of 2bp4 by Molmil](/molmil-images/mine/2bp4) | Zinc-binding domain of Alzheimer's disease amyloid beta-peptide in TFE-water (80-20) solution | Descriptor: | AMYLOID BETA A4 PROTEIN | Authors: | Zirah, S, Kozin, S.A, Mazur, A.K, Blond, A, Cheminant, M, Segalas-Milazzo, I, Debey, P, Rebuffat, S. | Deposit date: | 2005-04-18 | Release date: | 2005-04-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Changes of Region 1-16 of the Alzheimer Disease Amyloid Beta-Peptide Upon Zinc Binding and in Vitro Aging. J.Biol.Chem., 281, 2006
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1ZE7
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![BU of 1ze7 by Molmil](/molmil-images/mine/1ze7) | Zinc-binding domain of Alzheimer's disease amyloid beta-peptide in water solution at pH 6.5 | Descriptor: | 16-mer from Alzheimer's disease amyloid Protein | Authors: | Zirah, S, Kozin, S.A, Mazur, A.K, Blond, A, Cheminant, M, Segalas-Milazzo, I, Debey, P, Rebuffat, S. | Deposit date: | 2005-04-18 | Release date: | 2005-05-03 | Last modified: | 2013-10-09 | Method: | SOLUTION NMR | Cite: | Structural changes of region 1-16 of the Alzheimer disease amyloid beta-peptide upon zinc binding and in vitro aging. J.Biol.Chem., 281, 2006
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1ZE9
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![BU of 1ze9 by Molmil](/molmil-images/mine/1ze9) | Zinc-binding domain of Alzheimer's disease amyloid beta-peptide complexed with a zinc (II) cation | Descriptor: | 16-mer from Alzheimer's disease amyloid Protein, ZINC ION | Authors: | Zirah, S, Kozin, S.A, Mazur, A.K, Blond, A, Cheminant, M, Segalas-Milazzo, I, Debey, P, Rebuffat, S. | Deposit date: | 2005-04-18 | Release date: | 2005-05-03 | Last modified: | 2013-10-09 | Method: | SOLUTION NMR | Cite: | Structural changes of region 1-16 of the Alzheimer disease amyloid beta-peptide upon zinc binding and in vitro aging. J.Biol.Chem., 281, 2006
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2LS1
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![BU of 2ls1 by Molmil](/molmil-images/mine/2ls1) | Structure of Sviceucin, an antibacterial type I lasso peptide from Streptomyces sviceus | Descriptor: | Uncharacterized protein | Authors: | Li, Y, Ducasse, R, Blond, A, Zirah, S, Goulard, C, Lescop, E, Guittet, E, Pernodet, J, Rebuffat, S. | Deposit date: | 2012-04-18 | Release date: | 2012-08-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure and biosynthesis of Sviceucin, an antibacterial type I lasso peptide from Streptomyces sviceus To be Published
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1S4T
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![BU of 1s4t by Molmil](/molmil-images/mine/1s4t) | Solution structure of synthetic 21mer peptide spanning region 135-155 (in human numbering) of sheep prion protein | Descriptor: | Major prion protein | Authors: | Kozin, S.A, Lepage, C, Hui Bon Hoa, G, Rabesona, H, Mazur, A.K, Blond, A, Cheminant, M, Haertle, T, Debey, P, Rebuffat, S. | Deposit date: | 2004-01-18 | Release date: | 2004-01-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Specific recognition between surface loop 2 (132-143) and helix 1 (144-154)
within sheep prion protein from in vitro studies of synthetic peptides To be Published
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5OGI
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![BU of 5ogi by Molmil](/molmil-images/mine/5ogi) | Complex of a binding protein and human adenovirus C 5 hexon | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | Deposit date: | 2017-07-13 | Release date: | 2018-02-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control. Nat Commun, 9, 2018
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2N1C
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![BU of 2n1c by Molmil](/molmil-images/mine/2n1c) | Structure of PvHCt, an antimicrobial peptide from shrimp litopenaeus vannamei | Descriptor: | Hemocyanin subunit L2 | Authors: | Petit, V.W, Rolland, J.L, Blond, A, Djediat, C, Peduzzi, J, Goulard, C, Bachere, E, Dupont, J, Destoumieux-Garzon, D, Rebuffat, S. | Deposit date: | 2015-03-27 | Release date: | 2015-05-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A hemocyanin-derived antimicrobial peptide from the penaeid shrimp adopts an alpha-helical structure that specifically permeabilizes fungal membranes. Biochim.Biophys.Acta, 1860, 2015
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2N30
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![BU of 2n30 by Molmil](/molmil-images/mine/2n30) | Structure of Ace-pvhct-NH2 | Descriptor: | Hemocyanin subunit L2 | Authors: | Petit, V.W, Rolland, J, Blond, A, Djediat, C, Peduzzi, J, Goulard, C, Bachere, E, Dupont, J, Destoumieux-Garzon, D, Rebuffat, S. | Deposit date: | 2015-05-19 | Release date: | 2015-06-17 | Last modified: | 2016-01-27 | Method: | SOLUTION NMR | Cite: | A hemocyanin-derived antimicrobial peptide from the penaeid shrimp adopts an alpha-helical structure that specifically permeabilizes fungal membranes. Biochim.Biophys.Acta, 1860, 2015
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1S7P
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![BU of 1s7p by Molmil](/molmil-images/mine/1s7p) | Solution structure of thermolysin digested microcin J25 | Descriptor: | microcin J25 | Authors: | Rosengren, K.J, Blond, A, Afonso, C, Tabet, J.C, Rebuffat, S, Craik, D.J. | Deposit date: | 2004-01-30 | Release date: | 2004-06-15 | Last modified: | 2011-07-27 | Method: | SOLUTION NMR | Cite: | Structure of thermolysin cleaved microcin J25: extreme stability of a two-chain antimicrobial peptide devoid of covalent links Biochemistry, 43, 2004
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