2JE4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2je4 by Molmil](/molmil-images/mine/2je4) | Atomic-resolution crystal structure of chemically-synthesized HIV-1 protease in complex with JG-365 | Descriptor: | ACETATE ION, GLYCEROL, INHIBITOR MOLECULE JG365, ... | Authors: | Malito, E, Johnson, E.C.B, Tang, W.J. | Deposit date: | 2007-01-15 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Modular Total Chemical Synthesis of a Human Immunodeficiency Virus Type 1 Protease. J.Am.Chem.Soc., 129, 2007
|
|
2JG4
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2jg4 by Molmil](/molmil-images/mine/2jg4) | Substrate-free IDE structure in its closed conformation | Descriptor: | 1,4-DIETHYLENE DIOXIDE, INSULIN DEGRADING ENZYME, ZINC ION | Authors: | Malito, E, Tang, W.J. | Deposit date: | 2007-02-07 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of Substrate-Free Human Insulin Degrading Enzyme (Ide) and Biophysical Analysis of ATP-Induced Conformational Switch of Ide J.Biol.Chem., 282, 2007
|
|
1W1S
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1w1s by Molmil](/molmil-images/mine/1w1s) | Plant Cytokinin Dehydrogenase in Complex with Benzylaminopurine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKININ DEHYDROGENASE, ... | Authors: | Malito, E, Mattevi, A. | Deposit date: | 2004-06-23 | Release date: | 2004-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis J.Mol.Biol., 341, 2004
|
|
1W1Q
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1w1q by Molmil](/molmil-images/mine/1w1q) | Plant Cytokinin Dehydrogenase in Complex with Isopentenyladenine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKININ DEHYDROGENASE 1, ... | Authors: | Malito, E, Mattevi, A. | Deposit date: | 2004-06-23 | Release date: | 2004-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis J.Mol.Biol., 341, 2004
|
|
1W4X
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1w4x by Molmil](/molmil-images/mine/1w4x) | Phenylacetone Monooxygenase, a Baeyer-Villiger Monooxygenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHENYLACETONE MONOOXYGENASE, SULFATE ION | Authors: | Malito, E, Alfieri, A, Mattevi, A. | Deposit date: | 2004-08-03 | Release date: | 2004-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of a Baeyer-Villiger Monooxygenase Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
1W1O
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1w1o by Molmil](/molmil-images/mine/1w1o) | Native Cytokinin Dehydrogenase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKININ DEHYDROGENASE 1, ... | Authors: | Malito, E, Mattevi, A. | Deposit date: | 2004-06-23 | Release date: | 2004-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis J.Mol.Biol., 341, 2004
|
|
1W1R
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 1w1r by Molmil](/molmil-images/mine/1w1r) | Plant Cytokinin Dehydrogenase in Complex with trans-Zeatin | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Malito, E, Mattevi, A. | Deposit date: | 2004-06-23 | Release date: | 2004-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of Michaelis and Product Complexes of Plant Cytokinin Dehydrogenase: Implications for Flavoenzyme Catalysis J.Mol.Biol., 341, 2004
|
|
4D7W
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4d7w by Molmil](/molmil-images/mine/4d7w) | Crystal structure of sortase C1 (SrtC1) from Streptococcus agalactiae | Descriptor: | 1,2-ETHANEDIOL, SORTASE FAMILY PROTEIN | Authors: | Malito, E, Lazzarin, M, Cozzi, R, Bottomley, M.J. | Deposit date: | 2014-11-28 | Release date: | 2015-08-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Noncanonical Sortase-Mediated Assembly of Pilus Type 2B in Group B Streptococcus. Faseb J., 29, 2015
|
|
4B8Y
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4b8y by Molmil](/molmil-images/mine/4b8y) | Ferrichrome-bound FhuD2 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | Authors: | Malito, E, Bottomley, M.J, Spraggon, G. | Deposit date: | 2012-08-31 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Characterization of the Staphylococcus Aureus Virulence Factor and Vaccine Candidate Fhud2. Biochem.J., 449, 2013
|
|
4DMW
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4dmw by Molmil](/molmil-images/mine/4dmw) | Crystal structure of the GT domain of Clostridium difficile toxin A (TcdA) in complex with UDP and Manganese | Descriptor: | MANGANESE (II) ION, Toxin A, URIDINE-5'-DIPHOSPHATE | Authors: | Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Scarselli, M, Maione, D, Martinelli, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release. Febs J., 279, 2012
|
|
4DMV
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4dmv by Molmil](/molmil-images/mine/4dmv) | Crystal structure of the GT domain of Clostridium difficile Toxin A | Descriptor: | Toxin A | Authors: | Malito, E, D'Urzo, N, Bottomley, M.J, Biancucci, M, Maione, D, Scarselli, M, Martinelli, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release. Febs J., 279, 2012
|
|
7SBZ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7sbz by Molmil](/molmil-images/mine/7sbz) | |
7SA6
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7sa6 by Molmil](/molmil-images/mine/7sa6) | fHbp mutant 2416 bound to Fab JAR5 | Descriptor: | Factor H-binding protein 2416, JAR5 Heavy Chain, JAR5 Light Chain | Authors: | Chesterman, C, Malito, E, Bottomley, M.J. | Deposit date: | 2021-09-22 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Active Learning for Rapid Design: An iterative AI approach for accelerated vaccine design that combines active machine learning and high-throughput experimental evaluation To Be Published
|
|
7NRU
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7nru by Molmil](/molmil-images/mine/7nru) | |
5AIP
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5aip by Molmil](/molmil-images/mine/5aip) | Crystal structure of NadR in complex with 4-hydroxyphenylacetate | Descriptor: | 4-HYDROXYPHENYLACETATE, TRANSCRIPTIONAL REGULATOR, MARR FAMILY | Authors: | Liguori, A, Malito, E, Bottomley, M.J. | Deposit date: | 2015-02-16 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Basis of Ligand-Dependent Regulation of Nadr, the Transcriptional Repressor of Meningococcal Virulence Factor Nada. Plos Pathog., 12, 2016
|
|
5AIQ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 5aiq by Molmil](/molmil-images/mine/5aiq) | Crystal structure of ligand-free NadR | Descriptor: | TRANSCRIPTIONAL REGULATOR, MARR FAMILY | Authors: | Liguori, A, Malito, E, Bottomley, M.J. | Deposit date: | 2015-02-16 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.716 Å) | Cite: | Molecular Basis of Ligand-Dependent Regulation of Nadr, the Transcriptional Repressor of Meningococcal Virulence Factor Nada. Plos Pathog., 12, 2016
|
|
7MMN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7mmn by Molmil](/molmil-images/mine/7mmn) | |
7MPG
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 7mpg by Molmil](/molmil-images/mine/7mpg) | |
4OXR
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4oxr by Molmil](/molmil-images/mine/4oxr) | Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Manganese | Descriptor: | MANGANESE (II) ION, Manganese ABC transporter, periplasmic-binding protein SitA | Authors: | Abate, F, Malito, E, Bottomley, M. | Deposit date: | 2014-02-06 | Release date: | 2014-10-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius. Biosci.Rep., 34, 2014
|
|
4OXQ
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 4oxq by Molmil](/molmil-images/mine/4oxq) | Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Zinc | Descriptor: | Manganese ABC transporter, periplasmic-binding protein SitA, ZINC ION | Authors: | Abate, F, Malito, E, Bottomley, M. | Deposit date: | 2014-02-06 | Release date: | 2014-10-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius. Biosci.Rep., 34, 2014
|
|
3CQF
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 3cqf by Molmil](/molmil-images/mine/3cqf) | Crystal structure of anthrolysin O (ALO) | Descriptor: | Thiol-activated cytolysin | Authors: | Bourdeau, R.W, Malito, E, Tang, W.J. | Deposit date: | 2008-04-02 | Release date: | 2009-03-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Cellular Functions and X-ray Structure of Anthrolysin O, a Cholesterol-dependent Cytolysin Secreted by Bacillus anthracis J.Biol.Chem., 284, 2009
|
|
6EUN
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6eun by Molmil](/molmil-images/mine/6eun) | Crystal structure of Neisseria meningitidis vaccine antigen NadA variant 3 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | Authors: | Dello Iacono, L, Liguori, A, Malito, E, Bottomley, M.J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | NadA3 Structures Reveal Undecad Coiled Coils and LOX1 Binding Regions Competed by Meningococcus B Vaccine-Elicited Human Antibodies. MBio, 9, 2018
|
|
6EUP
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 6eup by Molmil](/molmil-images/mine/6eup) | Crystal structure of Neisseria meningitidis NadA variant 3 double mutant A33I-I38L | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Adhesin A, ... | Authors: | Dello Iacono, L, Liguori, A, Malito, E, Bottomley, M.J. | Deposit date: | 2017-10-31 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | NadA3 Structures Reveal Undecad Coiled Coils and LOX1 Binding Regions Competed by Meningococcus B Vaccine-Elicited Human Antibodies. MBio, 9, 2018
|
|
2X9Z
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2x9z by Molmil](/molmil-images/mine/2x9z) | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
|
|
2X9W
![Download](https://newweb-cs.pages.dev/newweb/media/icons/dl.png) ![Visualize](https://newweb-cs.pages.dev/newweb/media/icons/hoh_3d.png)
![BU of 2x9w by Molmil](/molmil-images/mine/2x9w) | STRUCTURE OF THE PILUS BACKBONE (RRGB) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | CELL WALL SURFACE ANCHOR FAMILY PROTEIN, GLYCEROL | Authors: | Spraggon, G, Koesema, E, Scarselli, M, Malito, E, Biagini, M, Norais, N, Emolo, C, Barocchi, M.A, Giusti, F, Hilleringmann, M, Rappuoli, R, Lesley, S, Covacci, A, Masignani, V, Ferlenghi, I. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Supramolecular Organization of the Repetitive Backbone Unit of the Streptococcus Pneumoniae Pilus. Plos One, 5, 2010
|
|