1XWH
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![BU of 1xwh by Molmil](/molmil-images/mine/1xwh) | NMR structure of the first phd finger of autoimmune regulator protein (AIRE1): insights into apeced | Descriptor: | Autoimmune regulator, ZINC ION | Authors: | Bottomley, M.J, Stier, G, Krasotkina, J, Legube, G, Simon, B, Akhtar, A, Sattler, M, Musco, G. | Deposit date: | 2004-11-01 | Release date: | 2005-01-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insights into autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) disease J.Biol.Chem., 280, 2005
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1H5P
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![BU of 1h5p by Molmil](/molmil-images/mine/1h5p) | Solution structure of the human Sp100b SAND domain by heteronuclear NMR. | Descriptor: | NUCLEAR AUTOANTIGEN SP100-B | Authors: | Bottomley, M.J, Liu, Z, Collard, M.W, Huggenvik, J.I, Gibson, T.J, Sattler, M. | Deposit date: | 2001-05-24 | Release date: | 2001-07-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The SAND domain structure defines a novel DNA-binding fold in transcriptional regulation. Nat. Struct. Biol., 8, 2001
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2W2O
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![BU of 2w2o by Molmil](/molmil-images/mine/2w2o) | PCSK9-deltaC D374Y mutant bound to WT EGF-A of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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2W2Q
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![BU of 2w2q by Molmil](/molmil-images/mine/2w2q) | PCSK9-deltaC D374H mutant bound to WT EGF-A of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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2W2P
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![BU of 2w2p by Molmil](/molmil-images/mine/2w2p) | PCSK9-deltaC D374A mutant bound to WT EGF-A of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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2UV0
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![BU of 2uv0 by Molmil](/molmil-images/mine/2uv0) | Structure of the P. aeruginosa LasR ligand-binding domain bound to its autoinducer | Descriptor: | N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, TRANSCRIPTIONAL ACTIVATOR PROTEIN LASR | Authors: | Bottomley, M.J, Muraglia, E, Bazzo, R, Carfi, A. | Deposit date: | 2007-03-08 | Release date: | 2007-03-27 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular Insights Into Quorum Sensing in the Human Pathogen Pseudomonas Aeruginosa from the Structure of the Virulence Regulator Lasr Bound to its Autoinducer. J.Biol.Chem., 282, 2007
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2W2M
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![BU of 2w2m by Molmil](/molmil-images/mine/2w2m) | WT PCSK9-DELTAC BOUND TO WT EGF-A OF LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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2W2N
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![BU of 2w2n by Molmil](/molmil-images/mine/2w2n) | WT PCSK9-deltaC bound to EGF-A H306Y mutant of LDLR | Descriptor: | CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR, PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 | Authors: | Bottomley, M.J, Cirillo, A, Orsatti, L, Ruggeri, L, Fisher, T.S, Santoro, J.C, Cummings, R.T, Cubbon, R.M, Lo Surdo, P, Calzetta, A, Noto, A, Baysarowich, J, Mattu, M, Talamo, F, De Francesco, R, Sparrow, C.P, Sitlani, A, Carfi, A. | Deposit date: | 2008-11-03 | Release date: | 2008-11-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Characterization of the Wild Type Pcsk9/Egf-Ab Complex and Natural Fh Mutants. J.Biol.Chem., 284, 2009
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2VQM
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![BU of 2vqm by Molmil](/molmil-images/mine/2vqm) | Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQW
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![BU of 2vqw by Molmil](/molmil-images/mine/2vqw) | Structure of inhibitor-free HDAC4 catalytic domain (with gain-of- function mutation His332Tyr) | Descriptor: | HISTONE DEACETYLASE 4, POTASSIUM ION, ZINC ION | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-19 | Release date: | 2008-08-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQJ
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![BU of 2vqj by Molmil](/molmil-images/mine/2vqj) | Structure of HDAC4 catalytic domain bound to a trifluoromethylketone inhbitor | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQQ
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![BU of 2vqq by Molmil](/molmil-images/mine/2vqq) | Structure of HDAC4 catalytic domain (a double cysteine-to-alanine mutant) bound to a trifluoromethylketone inhbitor | Descriptor: | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-18 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQO
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![BU of 2vqo by Molmil](/molmil-images/mine/2vqo) | Structure of HDAC4 catalytic domain with a gain-of-function muation bound to a trifluoromethylketone inhbitor | Descriptor: | 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-18 | Release date: | 2008-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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2VQV
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![BU of 2vqv by Molmil](/molmil-images/mine/2vqv) | Structure of HDAC4 catalytic domain with a gain-of-function mutation bound to a hydroxamic acid inhibitor | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-19 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain. J.Biol.Chem., 283, 2008
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7NRU
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![BU of 7nru by Molmil](/molmil-images/mine/7nru) | |
4UZG
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![BU of 4uzg by Molmil](/molmil-images/mine/4uzg) | Crystal structure of group B streptococcus pilus 2b backbone protein SAK_1440 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SURFACE PROTEIN SPB1 | Authors: | Malito, E, Cozzi, R, Bottomley, M.J. | Deposit date: | 2014-09-05 | Release date: | 2015-05-13 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Structure and assembly of group B streptococcus pilus 2b backbone protein. PLoS ONE, 10, 2015
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1VCA
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![BU of 1vca by Molmil](/molmil-images/mine/1vca) | CRYSTAL STRUCTURE OF AN INTEGRIN-BINDING FRAGMENT OF VASCULAR CELL ADHESION MOLECULE-1 AT 1.8 ANGSTROMS RESOLUTION | Descriptor: | HUMAN VASCULAR CELL ADHESION MOLECULE-1 | Authors: | Jones, E.Y, Harlos, K, Bottomley, M.J, Robinson, R.C, Driscoll, P.C, Edwards, R.M, Clements, J.M, Dudgeon, T.J, Stuart, D.I. | Deposit date: | 1995-03-21 | Release date: | 1995-09-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of an integrin-binding fragment of vascular cell adhesion molecule-1 at 1.8 A resolution. Nature, 373, 1995
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1D8B
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![BU of 1d8b by Molmil](/molmil-images/mine/1d8b) | NMR STRUCTURE OF THE HRDC DOMAIN FROM SACCHAROMYCES CEREVISIAE RECQ HELICASE | Descriptor: | SGS1 RECQ HELICASE | Authors: | Liu, Z, Macias, M.J, Bottomley, M.J, Stier, G, Linge, J.P, Nilges, M, Bork, P, Sattler, M. | Deposit date: | 1999-10-21 | Release date: | 2000-01-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional structure of the HRDC domain and implications for the Werner and Bloom syndrome proteins. Structure Fold.Des., 7, 1999
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5AIQ
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![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
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5AIP
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![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
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6H2Y
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![BU of 6h2y by Molmil](/molmil-images/mine/6h2y) | human Fab 1E6 bound to fHbp variant 3 from Neisseria meningitidis serogroup B | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Veggi, D, Bianchi, F, Cozzi, R, Malito, E, Bottomley, M.J. | Deposit date: | 2018-07-17 | Release date: | 2019-08-14 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Cocrystal structure of meningococcal factor H binding protein variant 3 reveals a new crossprotective epitope recognized by human mAb 1E6. Faseb J., 33, 2019
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7SBZ
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![BU of 7sbz by Molmil](/molmil-images/mine/7sbz) | |
7SA6
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![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
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6EUN
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![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
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6EUP
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![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
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