4VHB
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![BU of 4vhb by Molmil](/molmil-images/mine/4vhb) | THIOCYANATE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP. | Descriptor: | PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION | Authors: | Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P. | Deposit date: | 1999-03-11 | Release date: | 1999-08-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study. J.Mol.Biol., 291, 1999
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3VHB
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![BU of 3vhb by Molmil](/molmil-images/mine/3vhb) | IMIDAZOLE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP. | Descriptor: | IMIDAZOLE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P. | Deposit date: | 1999-03-17 | Release date: | 1999-08-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study. J.Mol.Biol., 291, 1999
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3MBA
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![BU of 3mba by Molmil](/molmil-images/mine/3mba) | APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.6 ANGSTROMS RESOLUTION | Descriptor: | FLUORIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | Deposit date: | 1989-02-22 | Release date: | 1990-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aplysia limacina myoglobin. Crystallographic analysis at 1.6 A resolution. J.Mol.Biol., 205, 1989
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1MBA
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![BU of 1mba by Molmil](/molmil-images/mine/1mba) | APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.6 ANGSTROMS RESOLUTION | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | Deposit date: | 1989-02-22 | Release date: | 1990-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Aplysia limacina myoglobin. Crystallographic analysis at 1.6 A resolution. J.Mol.Biol., 205, 1989
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4MBA
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![BU of 4mba by Molmil](/molmil-images/mine/4mba) | APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.6 ANGSTROMS RESOLUTION | Descriptor: | IMIDAZOLE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | Deposit date: | 1989-02-22 | Release date: | 1990-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aplysia limacina myoglobin. Crystallographic analysis at 1.6 A resolution. J.Mol.Biol., 205, 1989
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5O1Q
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![BU of 5o1q by Molmil](/molmil-images/mine/5o1q) | LysF1 sh3b domain structure | Descriptor: | sh3b domain | Authors: | Benesik, M, Novacek, J, Janda, L, Dopitova, R, Pernisova, M, Melkova, K, Tisakova, L, Doskar, J, Zidek, L, Hejatko, J, Pantucek, R. | Deposit date: | 2017-05-19 | Release date: | 2017-09-20 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Role of SH3b binding domain in a natural deletion mutant of Kayvirus endolysin LysF1 with a broad range of lytic activity. Virus Genes, 54, 2018
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1TGS
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![BU of 1tgs by Molmil](/molmil-images/mine/1tgs) | THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN PANCREATIC SECRETORY INHIBITOR (KAZAL TYPE) AND TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. STRUCTURE SOLUTION, CRYSTALLOGRAPHIC REFINEMENT AND PRELIMINARY STRUCTURAL INTERPRETATION | Descriptor: | CALCIUM ION, PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE), SULFATE ION, ... | Authors: | Bolognesi, M, Gatti, G, Menegatti, E, Guarneri, M, Marquart, M, Papamokos, E, Huber, R. | Deposit date: | 1982-09-27 | Release date: | 1983-01-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of the complex between pancreatic secretory trypsin inhibitor (Kazal type) and trypsinogen at 1.8 A resolution. Structure solution, crystallographic refinement and preliminary structural interpretation. J.Mol.Biol., 162, 1982
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5MBA
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![BU of 5mba by Molmil](/molmil-images/mine/5mba) | BINDING MODE OF AZIDE TO FERRIC APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | Deposit date: | 1991-01-14 | Release date: | 1992-07-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Binding mode of azide to ferric Aplysia limacina myoglobin. Crystallographic analysis at 1.9 A resolution. J.Mol.Recog., 4, 1991
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1ACB
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![BU of 1acb by Molmil](/molmil-images/mine/1acb) | CRYSTAL AND MOLECULAR STRUCTURE OF THE BOVINE ALPHA-CHYMOTRYPSIN-EGLIN C COMPLEX AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | ALPHA-CHYMOTRYPSIN, Eglin C | Authors: | Bolognesi, M, Frigerio, F, Coda, A, Pugliese, L, Lionetti, C, Menegatti, E, Amiconi, G, Schnebli, H.P, Ascenzi, P. | Deposit date: | 1991-11-08 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin c complex at 2.0 A resolution. J.Mol.Biol., 225, 1992
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1B0B
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![BU of 1b0b by Molmil](/molmil-images/mine/1b0b) | HEMOGLOBIN I FROM THE CLAM LUCINA PECTINATA, CYANIDE COMPLEX AT 100 KELVIN | Descriptor: | CYANIDE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Rosano, C, Rizzi, M, Ascenzi, P, Bolognesi, M. | Deposit date: | 1998-11-06 | Release date: | 2000-02-18 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study. Biophys.J., 77, 1999
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1EBC
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![BU of 1ebc by Molmil](/molmil-images/mine/1ebc) | SPERM WHALE MET-MYOGLOBIN:CYANIDE COMPLEX | Descriptor: | CYANIDE ION, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Rosano, C, Ascenzi, P, Rizzi, M, Losso, R, Bolognesi, M. | Deposit date: | 1999-03-04 | Release date: | 1999-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study. Biophys.J., 77, 1999
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1EBT
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![BU of 1ebt by Molmil](/molmil-images/mine/1ebt) | |
5AEP
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![BU of 5aep by Molmil](/molmil-images/mine/5aep) | Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders | Descriptor: | 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Canevari, G, Bertrand, J, Brasca, M.G, Nesi, M, Amboldi, N, Avanzi, N, Bindi, S, Casero, D, Ciomei, M, Colombo, N, Cribioli, S, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Motto, I, Panzeri, A, Gnocchi, P, Donati, D. | Deposit date: | 2015-01-08 | Release date: | 2015-04-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders. Bioorg.Med.Chem., 23, 2015
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5FTQ
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![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
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5FTO
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![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
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2BPM
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![BU of 2bpm by Molmil](/molmil-images/mine/2bpm) | STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529 | Descriptor: | (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | Authors: | Cameron, A, Fogliatto, G, Pevarello, P, Brasca, M.G, Orsini, P, Traquandi, G, Longo, A, Nesi, M, Orzi, F, Piutti, C, Sansonna, P, Varasi, M, Vulpetti, A, Roletto, F, Alzani, R, Ciomei, M, Albanese, C, Pastori, W, Marsiglio, A, Pesenti, E, Fiorentini, F, Bischoff, J.R, Mercurio, C. | Deposit date: | 2005-04-21 | Release date: | 2005-12-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 3-Aminopyrazole Inhibitors of Cdk2-Cyclin a as Antitumor Agents. 2. Lead Optimization J.Med.Chem., 48, 2005
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4D1S
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![BU of 4d1s by Molmil](/molmil-images/mine/4d1s) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-05-05 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4D0X
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![BU of 4d0x by Molmil](/molmil-images/mine/4d0x) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4D0W
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![BU of 4d0w by Molmil](/molmil-images/mine/4d0w) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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2WPA
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![BU of 2wpa by Molmil](/molmil-images/mine/2wpa) | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | Authors: | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | Deposit date: | 2009-08-03 | Release date: | 2010-02-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem., 18, 2010
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1IDR
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![BU of 1idr by Molmil](/molmil-images/mine/1idr) | CRYSTAL STRUCTURE OF THE TRUNCATED-HEMOGLOBIN-N FROM MYCOBACTERIUM TUBERCULOSIS | Descriptor: | HEMOGLOBIN HBN, OXYGEN MOLECULE, PHOSPHATE ION, ... | Authors: | Milani, M, Pesce, A, Ascenzi, P, Guertin, M, Bolognesi, M. | Deposit date: | 2001-04-05 | Release date: | 2001-08-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mycobacterium tuberculosis hemoglobin N displays a protein tunnel suited for O2 diffusion to the heme. EMBO J., 20, 2001
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1IV5
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![BU of 1iv5 by Molmil](/molmil-images/mine/1iv5) | New Crystal Form of Human CD81 Large Extracellular Loop. | Descriptor: | CD81 antigen | Authors: | Kitadokoro, K, Bolognesi, M, Grandi, G, Marco, P, Galli, G, Petracca, R, Fabiana, F. | Deposit date: | 2002-03-14 | Release date: | 2003-01-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Subunit Association and Conformational Flexibility in the Head-subdomain of Human CD81 Large Extracellular Loop. Biol.Chem., 383, 2002
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5LI4
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![BU of 5li4 by Molmil](/molmil-images/mine/5li4) | bacteriophage phi812K1-420 tail sheath protein after contraction | Descriptor: | tail sheath protein | Authors: | Novacek, J, Siborova, M, Benesik, M, Pantucek, R, Doskar, J, Plevka, P. | Deposit date: | 2016-07-14 | Release date: | 2017-07-19 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structure and genome release of Twort-like Myoviridae phage with a double-layered baseplate. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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4UII
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![BU of 4uii by Molmil](/molmil-images/mine/4uii) | Crystal structure of the Azotobacter vinelandii globin-coupled oxygen sensor in the aquo-met form | Descriptor: | GGDEF DOMAIN PROTEIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Germani, F, De Schutter, A, Pesce, A, Berghmans, H, Van Hauwaert, M.-L, Cuypers, B, Bruno, S, Mozzarelli, A, Moens, L, Van Doorslaer, S, Bolognesi, M, Nardini, M, Dewilde, S. | Deposit date: | 2015-03-30 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.827 Å) | Cite: | Azotobacter Vinelandii Globin-Coupled Oxygen Sensor is a Diguanylate Cyclase with a Biphasic Oxygen Dissociation To be Published
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4UIQ
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![BU of 4uiq by Molmil](/molmil-images/mine/4uiq) | Isolated globin domain of the Bordetella pertussis globin-coupled sensor with a heme at the dimer interface | Descriptor: | GLOBIN-COUPLED SENSOR WITH DIGUANYLATE CYCLASE ACTIVITY, GLYCEROL, IMIDAZOLE, ... | Authors: | Germani, F, Donne, J, De Schutter, A, Pesce, A, Berghmans, H, Van Hauwaert, M.-L, Moens, L, Van Doorslaer, S, Bolognesi, M, Nardini, M, Dewilde, S. | Deposit date: | 2015-03-31 | Release date: | 2016-04-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of a Putative Allosteric Site in the Sensor Domain of Bordetella Pertussis Globin- Coupled Sensor for the Control of Biofilm Formation To be Published
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