1RFN
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![BU of 1rfn by Molmil](/molmil-images/mine/1rfn) | HUMAN COAGULATION FACTOR IXA IN COMPLEX WITH P-AMINO BENZAMIDINE | Descriptor: | CALCIUM ION, P-AMINO BENZAMIDINE, PROTEIN (COAGULATION FACTOR IX), ... | Authors: | Hopfner, K.-P, Lang, A, Karcher, A, Sichler, K, Kopetzki, E, Brandstetter, H, Huber, R, Bode, W, Engh, R.A. | Deposit date: | 1999-04-19 | Release date: | 1999-09-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Coagulation factor IXa: the relaxed conformation of Tyr99 blocks substrate binding. Structure Fold.Des., 7, 1999
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3IYD
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![BU of 3iyd by Molmil](/molmil-images/mine/3iyd) | Three-dimensional EM structure of an intact activator-dependent transcription initiation complex | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, DNA (98-MER), ... | Authors: | Hudson, B.P, Quispe, J, Lara, S, Kim, Y, Berman, H, Arnold, E, Ebright, R.H, Lawson, C.L. | Deposit date: | 2009-08-01 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (19.799999 Å) | Cite: | Three-dimensional EM structure of an intact activator-dependent transcription initiation complex Proc.Natl.Acad.Sci.USA, 106, 2009
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5AND
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![BU of 5and by Molmil](/molmil-images/mine/5and) | Crystal structure of CDK2 in complex with 2-imidazol-1-yl-1H- benzimidazole processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | 2-IMIDAZOL-1-YL-1H-BENZIMIDAZOLE, CYCLIN-DEPENDENT KINASE 2 | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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6S40
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![BU of 6s40 by Molmil](/molmil-images/mine/6s40) | Fragment AZ-001 binding at the p53pT387/14-3-3 sigma interface and additional sites | Descriptor: | 14-3-3 protein sigma, 4-chloranyl-1-benzothiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-26 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6FUO
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![BU of 6fuo by Molmil](/molmil-images/mine/6fuo) | |
7V09
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![BU of 7v09 by Molmil](/molmil-images/mine/7v09) | Crystal structure of ECL_RS08780, putative sugar transport system periplasmic sugar-binding protein | Descriptor: | MAGNESIUM ION, Multiple sugar transport system periplasmic sugar-binding protein | Authors: | Stogios, P.J, Skarina, T, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-05-10 | Release date: | 2022-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of ECL_RS08780, putative sugar transport system periplasmic sugar-binding protein To Be Published
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5AM6
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![BU of 5am6 by Molmil](/molmil-images/mine/5am6) | Native FGFR1 with an inhibitor | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, CHLORIDE ION, FIBROBLAST GROWTH FACTOR RECEPTOR 1 | Authors: | Bunney, T.D, Wan, S, Thiyagarajan, N, Sutto, L, Williams, S.V, Ashford, P, Koss, H, Knowles, M.A, Gervasio, F.L, Coveney, P.V, Katan, M. | Deposit date: | 2015-03-10 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study Ebiomedicine, 2, 2015
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5ANI
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![BU of 5ani by Molmil](/molmil-images/mine/5ani) | Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | 6-chloro-9H-purine, CYCLIN-DEPENDENT KINASE 2 | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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3IXT
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![BU of 3ixt by Molmil](/molmil-images/mine/3ixt) | Crystal Structure of Motavizumab Fab Bound to Peptide Epitope | Descriptor: | 1,2-ETHANEDIOL, Fusion glycoprotein F1, Motavizumab Fab heavy chain, ... | Authors: | McLellan, J.S, Chen, M, Kim, A, Yang, Y, Graham, B.S, Kwong, P.D. | Deposit date: | 2009-09-04 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of respiratory syncytial virus neutralization by motavizumab. Nat.Struct.Mol.Biol., 17, 2010
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3BP9
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![BU of 3bp9 by Molmil](/molmil-images/mine/3bp9) | Structure of B-tropic MLV capsid N-terminal domain | Descriptor: | GLYCEROL, Gag protein, ISOPROPYL ALCOHOL | Authors: | Gulnahar, M.B, Dodding, M.P, Goldstone, D.C, Haire, L.F, Stoye, J.P, Taylor, I.A. | Deposit date: | 2007-12-18 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of B-MLV capsid amino-terminal domain reveals key features of viral tropism, gag assembly and core formation J.Mol.Biol., 376, 2008
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6VKZ
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![BU of 6vkz by Molmil](/molmil-images/mine/6vkz) | |
6RJQ
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![BU of 6rjq by Molmil](/molmil-images/mine/6rjq) | Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, TAZpS89 | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J. | Deposit date: | 2019-04-29 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.885 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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2O2Y
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![BU of 2o2y by Molmil](/molmil-images/mine/2o2y) | The crystal structure of P. falciparum enoyl acyl carrier protein reductase | Descriptor: | CHLORIDE ION, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Muench, S.P, Prigge, S.T, McLeod, R, Rafferty, J.B, Kirisits, M.J, Roberts, C.W, Mui, E.J, Rice, D.W. | Deposit date: | 2006-11-30 | Release date: | 2006-12-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Studies of Toxoplasma gondii and Plasmodium falciparum enoyl acyl carrier protein reductase and implications for the development of antiparasitic agents ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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5ANE
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![BU of 5ane by Molmil](/molmil-images/mine/5ane) | Crystal structure of CDK2 in complex with 6-methoxy-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | 6-METHOXY-9H-PURINE, CYCLIN-DEPENDENT KINASE 2 | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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3EY2
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![BU of 3ey2 by Molmil](/molmil-images/mine/3ey2) | |
5ANL
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![BU of 5anl by Molmil](/molmil-images/mine/5anl) | Crystal structure of VPS34 in complex with (2S)-8-((3R)-3- Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3, 4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one, processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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6RM5
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![BU of 6rm5 by Molmil](/molmil-images/mine/6rm5) | Fragment AZ-016 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-05-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.884 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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3BNG
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![BU of 3bng by Molmil](/molmil-images/mine/3bng) | W. succinogenes NrfA Y218F | Descriptor: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | Authors: | Lukat, P, Einsle, O. | Deposit date: | 2007-12-14 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008
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3O7T
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![BU of 3o7t by Molmil](/molmil-images/mine/3o7t) | Crystal Structure of Cyclophilin A from Moniliophthora perniciosa | Descriptor: | Cyclophilin A | Authors: | Monzani, P.S, Pereira, H.M, Gramacho, K.P, Meirelles, F.V, Oliva, G, Cascardo, J.C.M. | Deposit date: | 2010-07-31 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of apo-cyclophilin and bounded cyclosporine A from Moniliophthora perniciosa To be Published
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4KEC
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![BU of 4kec by Molmil](/molmil-images/mine/4kec) | SbHCT-complex form | Descriptor: | (3R,4S,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid, COENZYME A, Hydroxycinnamoyl-CoA:shikimate hydroxycinnamoyl transferase | Authors: | Walker, A.M, Hayes, R.P, Youn, B, Vermerris, W, Sattler, S.E, Kang, C. | Deposit date: | 2013-04-25 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Elucidation of the structure and reaction mechanism of sorghum hydroxycinnamoyltransferase and its structural relationship to other coenzyme a-dependent transferases and synthases. Plant Physiol., 162, 2013
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8HUV
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![BU of 8huv by Molmil](/molmil-images/mine/8huv) | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with S217622 | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Zeng, P, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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2WYN
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![BU of 2wyn by Molmil](/molmil-images/mine/2wyn) | Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue | Descriptor: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL, CALCIUM ION, PERIPLASMIC TREHALASE, ... | Authors: | Gloster, T.M, Roberts, S.M, Davies, G.J, Cardona, F, Goti, A, Parmeggiani, C, Parenti, P, Fusi, P, Forcella, M, Cipolla, L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases. Chem.Commun.(Camb.), 46, 2010
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8I64
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![BU of 8i64 by Molmil](/molmil-images/mine/8i64) | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | Authors: | Raj, P, Paul, A, Gopal, B. | Deposit date: | 2023-01-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
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4EMF
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![BU of 4emf by Molmil](/molmil-images/mine/4emf) | Crystal structure of the complex of type I Ribosome inactivating protein in complex with 7n-methyl-8-hydroguanosine-5-p-diphosphate at 1.77 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Yamini, S, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-04-12 | Release date: | 2012-05-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | First structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsamina. Proteins, 81, 2013
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6CIQ
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![BU of 6ciq by Molmil](/molmil-images/mine/6ciq) | |