5B1G
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3G76
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![BU of 3g76 by Molmil](/molmil-images/mine/3g76) | Crystal structure of XIAP-BIR3 in complex with a bivalent compound | Descriptor: | 1,1'-{hexa-2,4-diyne-1,6-diylbis[oxy{(2S,3R)-2-[(N-methyl-L-alanyl)amino]-1-oxobutane-3,1-diyl}(2S)pyrrolidine-1,2-diylmethanediyl]}bis[5-(phenylsulfanyl)-1H-tetrazole], Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2009-02-09 | Release date: | 2009-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis for bivalent smac-mimetics recognition in the IAP protein family J.Mol.Biol., 392, 2009
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3GCZ
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![BU of 3gcz by Molmil](/molmil-images/mine/3gcz) | Yokose virus Methyltransferase in complex with AdoMet | Descriptor: | GLYCEROL, Polyprotein, S-ADENOSYLMETHIONINE, ... | Authors: | Bollati, M, Milani, M, Mastrangelo, E, Bolognesi, M, Structural Proteomics in Europe (SPINE) | Deposit date: | 2009-02-23 | Release date: | 2009-03-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a methyltransferase from a no-known-vector Flavivirus Biochem.Biophys.Res.Commun., 382, 2009
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3OZ1
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![BU of 3oz1 by Molmil](/molmil-images/mine/3oz1) | cIAP1-BIR3 domain in complex with the Smac-mimetic compound Smac066 | Descriptor: | (3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Cossu, F, Malvezzi, F, Mastrangelo, E, Canevari, G, Bolognesi, M, Milani, M. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recognition of Smac-mimetic compounds by the BIR3 domain of cIAP1 Protein Sci., 2010
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2KSD
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![BU of 2ksd by Molmil](/molmil-images/mine/2ksd) | Backbone structure of the membrane domain of E. coli histidine kinase receptor ArcB, Center for Structures of Membrane Proteins (CSMP) target 4310C | Descriptor: | Aerobic respiration control sensor protein arcB | Authors: | Maslennikov, I, Klammt, C, Hwang, E, Kefala, G, Kwiatkowski, W, Jeon, Y, Choe, S, Center for Structures of Membrane Proteins (CSMP) | Deposit date: | 2010-01-02 | Release date: | 2010-03-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis. Proc.Natl.Acad.Sci.USA, 107, 2010
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4EB9
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![BU of 4eb9 by Molmil](/molmil-images/mine/4eb9) | cIAP1-BIR3 in complex with a divalent Smac mimetic | Descriptor: | (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide], Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Cossu, F, Mastrangelo, E, Bolognesi, M, Milani, M. | Deposit date: | 2012-03-23 | Release date: | 2012-12-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insight into inhibitor of apoptosis proteins recognition by a potent divalent smac-mimetic. Plos One, 7, 2012
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3EYL
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![BU of 3eyl by Molmil](/molmil-images/mine/3eyl) | Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound | Descriptor: | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Cossu, F, Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2008-10-21 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Designing Smac-mimetics as antagonists of XIAP, cIAP1, and cIAP2. Biochem.Biophys.Res.Commun., 378, 2009
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3WUM
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4LQ9
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![BU of 4lq9 by Molmil](/molmil-images/mine/4lq9) | Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex with NAF2 | Descriptor: | MAGNESIUM ION, RNA-dependent RNA-polymerase, naphthalene-1,5-disulfonic acid | Authors: | Milani, M, Tarantino, D, Mastrangelo, E, Croci, R. | Deposit date: | 2013-07-17 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase. Antiviral Res., 102, 2014
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4A5S
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![BU of 4a5s by Molmil](/molmil-images/mine/4a5s) | CRYSTAL STRUCTURE OF HUMAN DPP4 IN COMPLEX WITH A NOVAL HETEROCYCLIC DPP4 INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE, DIPEPTIDYL PEPTIDASE 4 SOLUBLE FORM, ... | Authors: | Ostermann, N, Kroemer, M, Zink, F, Gerhartz, B, Sutton, J.M, Clark, D.E, Dunsdon, S.J, Fenton, G, Fillmore, A, Harris, N.V, Higgs, C, Hurley, C.A, Krintel, S.L, MacKenzie, R.E, Duttaroy, A, Gangl, E, Maniara, W, Sedrani, R, Namoto, K, Sirockin, F, Trappe, J, Hassiepen, U, Baeschlin, D.K. | Deposit date: | 2011-10-28 | Release date: | 2012-02-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Novel Heterocyclic Dpp-4 Inhibitors for the Treatment of Type 2 Diabetes. Bioorg.Med.Chem.Lett., 22, 2012
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2OK7
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![BU of 2ok7 by Molmil](/molmil-images/mine/2ok7) | Ferredoxin-NADP+ reductase from Plasmodium falciparum with 2'P-AMP | Descriptor: | ADENOSINE-2'-5'-DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase, ... | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2007-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis. J.Mol.Biol., 367, 2007
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2OK8
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![BU of 2ok8 by Molmil](/molmil-images/mine/2ok8) | Ferredoxin-NADP+ reductase from Plasmodium falciparum | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2007-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis. J.Mol.Biol., 367, 2007
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3EQB
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![BU of 3eqb by Molmil](/molmil-images/mine/3eqb) | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Ohren, J.F, Pavlovsky, A, Zhang, E. | Deposit date: | 2008-09-30 | Release date: | 2008-11-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase). Bioorg.Med.Chem.Lett., 18, 2008
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4LQ3
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![BU of 4lq3 by Molmil](/molmil-images/mine/4lq3) | Crystal structure of human norovirus RNA-dependent RNA-polymerase bound to the inhibitor PPNDS | Descriptor: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, 5'-R(P*GP*G)-3', MAGNESIUM ION, ... | Authors: | Milani, M, Tarantino, D, Mastrangelo, E, Croci, R. | Deposit date: | 2013-07-17 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase. Antiviral Res., 102, 2014
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3WXQ
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![BU of 3wxq by Molmil](/molmil-images/mine/3wxq) | Serial femtosecond X-ray structure of human fatty acid-binding protein type-3 (FABP3) in complex with stearic acid (C18:0) determined using X-ray free-electron laser at SACLA | Descriptor: | Fatty acid-binding protein, heart, STEARIC ACID | Authors: | Mizohata, E, Suzuki, M, Kakinouchi, K, Sugiyama, S, Murata, M, Sugahara, M, Nango, E, Tanaka, T, Tanaka, R, Tono, K, Song, C, Hatsui, T, Joti, Y, Yabashi, M, Iwata, S. | Deposit date: | 2014-08-04 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Grease matrix as a versatile carrier of proteins for serial crystallography Nat. Methods, 12, 2015
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3WUL
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3WXS
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![BU of 3wxs by Molmil](/molmil-images/mine/3wxs) | Thaumatin structure determined by SPring-8 Angstrom Compact free electron Laser (SACLA) | Descriptor: | L(+)-TARTARIC ACID, thaumatin I | Authors: | Masuda, T, Nango, E, Sugahara, M, Mizohata, E, Tanaka, T, Tanaka, R, Suzuki, M, Mikami, B, Iwata, S. | Deposit date: | 2014-08-07 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Grease matrix as a versatile carrier of proteins for serial crystallography Nat. Methods, 12, 2015
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3WXT
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3WXU
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4O4R
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![BU of 4o4r by Molmil](/molmil-images/mine/4o4r) | Murine Norovirus RdRp in complex with PPNDS | Descriptor: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid, RNA-dependent-RNA-polymerase, SULFATE ION | Authors: | Croci, R, Tarantino, D, Milani, M, Pezzullo, M, Bolognesi, M, Mastrangelo, E. | Deposit date: | 2013-12-19 | Release date: | 2014-11-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | PPNDS inhibits murine Norovirus RNA-dependent RNA-polymerase mimicking two RNA stacking bases. Febs Lett., 588, 2014
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4OXC
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![BU of 4oxc by Molmil](/molmil-images/mine/4oxc) | Crystal structure of XIAP BIR1 domain | Descriptor: | E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Milani, M, Cossu, F, Mastrangelo, E. | Deposit date: | 2014-02-05 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | NF023 binding to XIAP-BIR1: Searching drugs for regulation of the NF-kappa B pathway. Proteins, 83, 2015
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4NRT
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![BU of 4nrt by Molmil](/molmil-images/mine/4nrt) | Human Norovirus polymerase bound to Compound 6 (suramin derivative) | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, hNV-RdRp | Authors: | Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Milani, M, Bolognesi, M. | Deposit date: | 2013-11-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.022 Å) | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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2FS4
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![BU of 2fs4 by Molmil](/molmil-images/mine/2fs4) | Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring | Descriptor: | (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin | Authors: | Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S. | Deposit date: | 2006-01-20 | Release date: | 2006-06-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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4NRU
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![BU of 4nru by Molmil](/molmil-images/mine/4nru) | Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase | Authors: | Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2013-11-27 | Release date: | 2014-10-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds. Plos One, 9, 2014
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2KLO
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![BU of 2klo by Molmil](/molmil-images/mine/2klo) | Structure of the Cdt1 C-terminal domain | Descriptor: | DNA replication factor Cdt1 | Authors: | Khayrutdinov, B.I, Bae, W.J, Yun, Y.M, Tsuyama, T, Kim, J.J, Hwang, E, Ryu, K.-S, Cheong, H.-K, Cheong, C, Karplus, P.A, Guntert, P, Tada, S, Jeon, Y.H, Cho, Y. | Deposit date: | 2009-07-06 | Release date: | 2009-10-13 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the Cdt1 C-terminal domain: Conservation of the winged helix fold in replication licensing factors Protein Sci., 18, 2009
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