4OS5
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4ETG
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![BU of 4etg by Molmil](/molmil-images/mine/4etg) | Crystal Structure of MIF L46G mutant | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | Authors: | Ashrafi, A, Pojer, F, Lashuel, H. | Deposit date: | 2012-04-24 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket. Plos One, 7, 2012
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4EVG
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![BU of 4evg by Molmil](/molmil-images/mine/4evg) | Crystal Structure of MIF L46A mutant | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | Authors: | Ashrafi, A, Pojer, F, Lashuel, H. | Deposit date: | 2012-04-26 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket. Plos One, 7, 2012
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4OS1
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![BU of 4os1 by Molmil](/molmil-images/mine/4os1) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK601 (bicyclic 1) | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4OS6
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![BU of 4os6 by Molmil](/molmil-images/mine/4os6) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK604 (bicyclic 2) | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4OS4
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![BU of 4os4 by Molmil](/molmil-images/mine/4os4) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 1) | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4EUI
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![BU of 4eui by Molmil](/molmil-images/mine/4eui) | Crystal Structure of MIF L46F mutant | Descriptor: | Macrophage migration inhibitory factor, SULFATE ION | Authors: | Ashrafi, A, Pojer, F, Lashuel, H. | Deposit date: | 2012-04-25 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Characterization of molecular determinants of the conformational stability of macrophage migration inhibitory factor: leucine 46 hydrophobic pocket. Plos One, 7, 2012
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4MNV
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![BU of 4mnv by Molmil](/molmil-images/mine/4mnv) | Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA) | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NCR
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![BU of 4ncr by Molmil](/molmil-images/mine/4ncr) | Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169 | Descriptor: | 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2013-10-25 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Towards a new combination therapy for tuberculosis with next generation benzothiazinones. EMBO Mol Med, 6, 2014
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4DOO
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![BU of 4doo by Molmil](/molmil-images/mine/4doo) | Crystal structure of Arabidopsis thaliana fatty-acid binding protein At3g63170 (AtFAP1) | Descriptor: | Chalcone-flavanone isomerase family protein, LAURIC ACID, POTASSIUM ION | Authors: | Noel, J.P, Pojer, F, Louie, G.V, Bowman, M.E. | Deposit date: | 2012-02-09 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis. Nature, 485, 2012
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4MNX
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![BU of 4mnx by Molmil](/molmil-images/mine/4mnx) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811 | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, GLYCEROL, SULFATE ION, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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4F4Q
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![BU of 4f4q by Molmil](/molmil-images/mine/4f4q) | Crystal structure of M. smegmatis DprE1 in complex with FAD and covalently bound BTZ043 | Descriptor: | 8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, DprE1, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Molteni, E, Chiarelli, L, Riccardi, G, Mattevi, A, Cole, S.T, Binda, C. | Deposit date: | 2012-05-11 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.619 Å) | Cite: | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium tuberculosis. Sci Transl Med, 4, 2012
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4CVY
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![BU of 4cvy by Molmil](/molmil-images/mine/4cvy) | Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. | Descriptor: | DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION | Authors: | Neres, J, Hartkoorn, R.C, Chiarelli, L.R, Gadupudi, R, Pasca, M, Mori, G, Farina, D, Salina, S, Makarov, V, Kolly, G.S, Molteni, E, Binda, C, Dhar, N, Ferrari, S, Brodin, P, Delorme, V, Landry, V, de Jesus Lopes Ribeiro, A.L, Saxena, P, Pojer, F, Venturelli, A, Carta, A, Luciani, R, Porta, A, Zanoni, G, De Rossi, E, Costi, M.P, Riccardi, G, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1. Acs Chem.Biol., 10, 2015
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4MNW
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![BU of 4mnw by Molmil](/molmil-images/mine/4mnw) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK749 | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MNY
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![BU of 4mny by Molmil](/molmil-images/mine/4mny) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK903 | Descriptor: | ACETATE ION, GLYCEROL, N,N',N''-benzene-1,3,5-triyltris(2-bromoacetamide), ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2013-09-11 | Release date: | 2014-02-05 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Peptide ligands stabilized by small molecules. Angew.Chem.Int.Ed.Engl., 53, 2014
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4P8T
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![BU of 4p8t by Molmil](/molmil-images/mine/4p8t) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN129 | Descriptor: | (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-04-01 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4P8N
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![BU of 4p8n by Molmil](/molmil-images/mine/4p8n) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN118 | Descriptor: | 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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4P8K
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4P8L
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![BU of 4p8l by Molmil](/molmil-images/mine/4p8l) | Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty36c | Descriptor: | 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Neres, J, Pojer, F, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1. Acs Chem.Biol., 10, 2015
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7P40
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![BU of 7p40 by Molmil](/molmil-images/mine/7p40) | P5C3 is a potent fab neutralizer | Descriptor: | Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL) | Authors: | perez, L. | Deposit date: | 2021-07-09 | Release date: | 2021-10-13 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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7PHG
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![BU of 7phg by Molmil](/molmil-images/mine/7phg) | MaP OF P5C3RBD Interface | Descriptor: | Heavy ChaIn variable, Light ChaIn, Surface glycoprotein | Authors: | Perez, L. | Deposit date: | 2021-08-17 | Release date: | 2021-10-13 | Last modified: | 2021-10-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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8PSD
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![BU of 8psd by Molmil](/molmil-images/mine/8psd) | SARS-CoV-2 XBB 1.0 closed conformation. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Duhoo, Y, Lau, K. | Deposit date: | 2023-07-13 | Release date: | 2023-11-01 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Broadly potent anti-SARS-CoV-2 antibody shares 93% of epitope with ACE2 and provides full protection in monkeys. J Infect, 87, 2023
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8PQ2
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![BU of 8pq2 by Molmil](/molmil-images/mine/8pq2) | XBB 1.0 RBD bound to P4J15 (Local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, P4J15 Fragment Antigen-Binding Heavy Chain, P4J15 Fragment Antigen-Binding Light Chain, ... | Authors: | Duhoo, Y, Lau, K. | Deposit date: | 2023-07-10 | Release date: | 2023-11-01 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Broadly potent anti-SARS-CoV-2 antibody shares 93% of epitope with ACE2 and provides full protection in monkeys. J Infect, 87, 2023
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5MTJ
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![BU of 5mtj by Molmil](/molmil-images/mine/5mtj) | Yes1-SH2 in complex with monobody Mb(Yes_1) | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Monobody Mb(Yes_1), SULFATE ION, ... | Authors: | Sha, F, Kukenshoner, T, Koide, S, Hantschel, O. | Deposit date: | 2017-01-09 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Selective Targeting of SH2 Domain-Phosphotyrosine Interactions of Src Family Tyrosine Kinases with Monobodies. J. Mol. Biol., 429, 2017
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5N6R
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![BU of 5n6r by Molmil](/molmil-images/mine/5n6r) | Solution structure of the Dbl-homology domain of Bcr-Abl | Descriptor: | Breakpoint cluster region protein | Authors: | Reckel, S, Lohr, F, Buchner, L, Guntert, P, Dotsch, V, Hantschel, O. | Deposit date: | 2017-02-16 | Release date: | 2017-12-27 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase. Nat Commun, 8, 2017
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