3EL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3el4 by Molmil](/molmil-images/mine/3el4) | Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease | Authors: | Prabu-Jeyabalan, M, King, N, Schiffer, C. | Deposit date: | 2008-09-19 | Release date: | 2009-09-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
|
|
2KTM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ktm by Molmil](/molmil-images/mine/2ktm) | Solution NMR structure of H2H3 domain of ovine prion protein (residues 167-234) | Descriptor: | Major prion protein | Authors: | Pastore, A, Adrover, M, Pauwels, K, de Chiara, C, Prigent, S, Rezeai, H. | Deposit date: | 2010-02-04 | Release date: | 2010-04-07 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Prion fibrillization is mediated by a native structural element that comprises helices H2 and H3. J.Biol.Chem., 285, 2010
|
|
2LKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lkq by Molmil](/molmil-images/mine/2lkq) | NMR structure of the lambda 5 22-45 peptide | Descriptor: | Immunoglobulin lambda-like polypeptide 1 | Authors: | Elantak, L, Espeli, M, Boned, A, Bornet, O, Breton, C, Feracci, M, Roche, P, Guerlesquin, F, Schiff, C. | Deposit date: | 2011-10-19 | Release date: | 2012-10-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Galectin-1-dependent Pre-B Cell Receptor (Pre-BCR) Activation. J.Biol.Chem., 287, 2012
|
|
2KVJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kvj by Molmil](/molmil-images/mine/2kvj) | NMR and MD solution structure of a Gamma-Methylated PNA duplex | Descriptor: | Gamma-Modified Peptide Nucleic Acid | Authors: | He, W, Crawford, M.J, Rapireddy, S, Madrid, M, Gil, R.R, Ly, D.H, Achim, C. | Deposit date: | 2010-03-15 | Release date: | 2010-05-12 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | The structure of a gamma-modified peptide nucleic acid duplex. Mol Biosyst, 6, 2010
|
|
2JQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jqd by Molmil](/molmil-images/mine/2jqd) | |
6VAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6var by Molmil](/molmil-images/mine/6var) | 61 nt human Hepatitis B virus epsilon pre-genomic RNA | Descriptor: | RNA (61-MER) | Authors: | LeBlanc, R.M, Kasprzak, W.K, Longhini, A.P, Abulwerdi, F, Ginocchio, S, Shields, B, Nyman, J, Svirydava, M, Del Vecchio, C, Ivanic, J, Schneekloth, J.S, Dayie, T.K, Shapiro, B.A, Le Grice, S.F.J. | Deposit date: | 2019-12-17 | Release date: | 2020-12-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | Structural insights of the conserved "priming loop" of hepatitis B virus pre-genomic RNA. J.Biomol.Struct.Dyn., 2021
|
|
2M41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m41 by Molmil](/molmil-images/mine/2m41) | |
2KRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2krj by Molmil](/molmil-images/mine/2krj) | High-Resolution Solid-State NMR Structure of a 17.6 kDa Protein | Descriptor: | COBALT (II) ION, Macrophage metalloelastase | Authors: | Bertini, I, Bhaumik, A, De Pa pe, G, Griffin, R.G, Lelli, M, Lewandowski, J.R, Luchinat, C. | Deposit date: | 2009-12-18 | Release date: | 2010-02-23 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | High-resolution solid-state NMR structure of a 17.6 kDa protein. J.Am.Chem.Soc., 132, 2010
|
|
2LFU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2lfu by Molmil](/molmil-images/mine/2lfu) | The structure of a N. meningitides protein targeted for vaccine development | Descriptor: | Gna2132 | Authors: | Esposito, V, Musi, V, De Chiara, C, Kelly, G, Veggi, D, Pizza, M, Pastore, A. | Deposit date: | 2011-07-15 | Release date: | 2011-10-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the C-terminal Domain of Neisseria Heparin Binding Antigen (NHBA), One of the Main Antigens of a Novel Vaccine against Neisseria meningitidis. J.Biol.Chem., 286, 2011
|
|
2L50
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l50 by Molmil](/molmil-images/mine/2l50) | Solution structure of apo S100A16 | Descriptor: | Protein S100-A16 | Authors: | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | Deposit date: | 2010-10-22 | Release date: | 2010-11-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural characterization of human S100A16, a low-affinity calcium binder. J.Biol.Inorg.Chem., 16, 2011
|
|
2LLP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2llp by Molmil](/molmil-images/mine/2llp) | Solution structure of a THP type 1 alpha 1 collagen fragment (772-786) | Descriptor: | Collagen alpha-1(I) chain | Authors: | Bertini, I, Fragai, M, Luchinat, C, Melikian, M, Toccafondi, M, Lauer, J.L, Fields, G.B, Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2011-11-15 | Release date: | 2012-05-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis. J.Am.Chem.Soc., 134, 2012
|
|
2MKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mko by Molmil](/molmil-images/mine/2mko) | G-triplex structure and formation propensity | Descriptor: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), POTASSIUM ION | Authors: | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | Deposit date: | 2014-02-11 | Release date: | 2014-11-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | G-triplex structure and formation propensity. Nucleic Acids Res., 42, 2014
|
|
5FTO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fto by Molmil](/molmil-images/mine/5fto) | Crystal structure of the ALK kinase domain in complex with Entrectinib | Descriptor: | ALK TYROSINE KINASE RECEPTOR, Entrectinib | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
|
|
2M0R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m0r by Molmil](/molmil-images/mine/2m0r) | Solution structure and dynamics of human S100A14 | Descriptor: | Protein S100-A14 | Authors: | Bertini, I, Borsi, V, Cerofolini, L, Das Gupta, S, Fragai, M, Luchinat, C. | Deposit date: | 2012-11-05 | Release date: | 2013-01-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of human S100A14. J.Biol.Inorg.Chem., 18, 2013
|
|
2K4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k4g by Molmil](/molmil-images/mine/2k4g) | Solution Structure of a Peptide Nucleic Acid Duplex, 10 structures | Descriptor: | METHYLAMINE, PNA (N'-(*(GPN)*(GPN)*(CPN)*(APN)*(TPN)*(GPN)*(CPN)*(CPN))-C') | Authors: | He, W, Hatcher, E, Balaeff, A, Beratan, D, Gil, R, Madrid, M, Achim, C. | Deposit date: | 2008-06-07 | Release date: | 2008-09-23 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations. J.Am.Chem.Soc., 130, 2008
|
|
2K61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k61 by Molmil](/molmil-images/mine/2k61) | Solution structure of CaM complexed to DAPk peptide | Descriptor: | CALCIUM ION, Calmodulin, TERBIUM(III) ION | Authors: | Bertini, I, Luchinat, C, Parigi, G, Yuan, J. | Deposit date: | 2008-07-02 | Release date: | 2009-05-05 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples. J.Am.Chem.Soc., 131, 2009
|
|
2KAX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kax by Molmil](/molmil-images/mine/2kax) | Solution structure and dynamics of S100A5 in the apo and Ca2+ -bound states | Descriptor: | Protein S100-A5 | Authors: | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2008-11-17 | Release date: | 2009-06-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states J.Biol.Inorg.Chem., 14, 2009
|
|
2JPZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jpz by Molmil](/molmil-images/mine/2jpz) | Human telomere DNA quadruplex structure in K+ solution hybrid-2 form | Descriptor: | DNA (26-MER) | Authors: | Dai, J, Carver, M, Punchihewa, C, Jones, R, Yang, D. | Deposit date: | 2007-05-25 | Release date: | 2007-12-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the Hybrid-2 type intramolecular human telomeric G-quadruplex in K+ solution: insights into structure polymorphism of the human telomeric sequence Nucleic Acids Res., 35, 2007
|
|
2JXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jxy by Molmil](/molmil-images/mine/2jxy) | Solution structure of the hemopexin-like domain of MMP12 | Descriptor: | CALCIUM ION, Macrophage metalloelastase | Authors: | Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M. | Deposit date: | 2007-12-01 | Release date: | 2008-05-27 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12 J.Am.Chem.Soc., 130, 2008
|
|
2K0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k0j by Molmil](/molmil-images/mine/2k0j) | Solution structure of CaM complexed to DRP1p | Descriptor: | CALCIUM ION, LANTHANUM (III) ION, calmodulin | Authors: | Bertini, I, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE) | Deposit date: | 2008-02-04 | Release date: | 2009-03-10 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples. J.Am.Chem.Soc., 131, 2009
|
|
5FTQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ftq by Molmil](/molmil-images/mine/5ftq) | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | Descriptor: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
|
|
2L51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2l51 by Molmil](/molmil-images/mine/2l51) | Solution structure of calcium bound S100A16 | Descriptor: | CALCIUM ION, Protein S100-A16 | Authors: | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | Deposit date: | 2010-10-22 | Release date: | 2010-11-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural characterization of human S100A16, a low-affinity calcium binder. J.Biol.Inorg.Chem., 16, 2011
|
|
1CLF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1clf by Molmil](/molmil-images/mine/1clf) | CLOSTRIDIUM PASTEURIANUM FERREDOXIN | Descriptor: | FERREDOXIN, IRON/SULFUR CLUSTER | Authors: | Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H. | Deposit date: | 1995-06-21 | Release date: | 1996-01-29 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum. Eur.J.Biochem., 232, 1995
|
|
2K9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2k9c by Molmil](/molmil-images/mine/2k9c) | Paramagnetic shifts in solid-state NMR of Proteins to elicit structural information | Descriptor: | COBALT (II) ION, Macrophage metalloelastase | Authors: | Balayssac, S, Bertini, I, Bhaumik, A, Lelli, M, Luchinat, C. | Deposit date: | 2008-10-08 | Release date: | 2008-11-18 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Paramagnetic shifts in solid-state NMR of proteins to elicit structural information Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
2KAY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2kay by Molmil](/molmil-images/mine/2kay) | Solution structure and dynamics of S100A5 in the Ca2+ -bound states | Descriptor: | CALCIUM ION, Protein S100-A5 | Authors: | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | Deposit date: | 2008-11-17 | Release date: | 2009-06-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states J.Biol.Inorg.Chem., 14, 2009
|
|