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7ZJ3
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BU of 7zj3 by Molmil
Structure of TRIM2 RING domain in complex with UBE2D1~Ub conjugate
Descriptor: Polyubiquitin-C, Tripartite motif-containing protein 2, Ubiquitin-conjugating enzyme E2 D1, ...
Authors:Esposito, D, Garza-Garcia, A, Dudley-Fraser, J, Rittinger, K.
Deposit date:2022-04-08
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Divergent self-association properties of paralogous proteins TRIM2 and TRIM3 regulate their E3 ligase activity.
Nat Commun, 13, 2022
1LR1
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BU of 1lr1 by Molmil
Solution Structure of the Oligomerization Domain of the Bacterial Chromatin-Structuring Protein H-NS
Descriptor: dna-binding protein h-ns
Authors:Esposito, D, Petrovic, A, Harris, R, Ono, S, Eccleston, J, Mbabaali, A, Haq, I, Higgins, C.F, Hinton, J.C.D, Driscoll, P.C, Ladbury, J.E.
Deposit date:2002-05-14
Release date:2003-01-14
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:H-NS Oligomerization Domain Structure Reveals the Mechanism for High Order Self-association of the Intact Protein
J.Mol.Biol., 324, 2002
6EYR
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BU of 6eyr by Molmil
Crystal structure of the salmonella effector SseK3
Descriptor: Type III secretion system effector protein
Authors:Esposito, D, Rittinger, K.
Deposit date:2017-11-13
Release date:2018-02-28
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the glycosyltransferase activity of theSalmonellaeffector SseK3.
J. Biol. Chem., 293, 2018
6EYT
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BU of 6eyt by Molmil
Crystal structure of the Salmonella effector SseK3 in complex with UDP-GlcNAc and Manganese
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, IODIDE ION, MANGANESE (II) ION, ...
Authors:Esposito, D, Rittinger, K.
Deposit date:2017-11-13
Release date:2018-02-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis for the glycosyltransferase activity of theSalmonellaeffector SseK3.
J. Biol. Chem., 293, 2018
5LMD
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BU of 5lmd by Molmil
The crystal structure of hCA II in complex with a benzoxaborole inhibitor
Descriptor: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION
Authors:De Simone, G, Alterio, V, Esposito, D, Di Fiore, A.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
5JQT
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BU of 5jqt by Molmil
Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4
Descriptor: 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ...
Authors:Alterio, V, Esposito, D, Di Fiore, A, De Simone, G.
Deposit date:2016-05-05
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
5JQ0
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BU of 5jq0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7
Descriptor: 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, Esposito, D, Di Fiore, A, De Simone, G.
Deposit date:2016-05-04
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
5O07
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BU of 5o07 by Molmil
The crystal structure of the human carbonic anhydrase II in complex with a nitroimidazole sulfamate inhibitor
Descriptor: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl sulfamate, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2017-05-16
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations.
J Enzyme Inhib Med Chem, 32, 2017
6RPS
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BU of 6rps by Molmil
X-ray crystal structure of carbonic anhydrase XII complexed with a theranostic monoclonal antibody fragment
Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
Authors:Alterio, V, Esposito, D, De Simone, G.
Deposit date:2019-05-14
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex.
J.Mol.Biol., 431, 2019
6EQU
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BU of 6equ by Molmil
X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor
Descriptor: 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2017-10-15
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor.
J Enzyme Inhib Med Chem, 33, 2018
2BYF
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BU of 2byf by Molmil
NMR solution structure of phospholipase c epsilon RA 2 domain
Descriptor: PHOSPHOLIPASE C, EPSILON 1
Authors:Bunney, T.D, Harris, R, Gandarillas, N.L, Josephs, M.B, Roe, S.M, Paterson, H.F, Rodrigues-Lima, F, Esposito, D, Gieschik, P, Pearl, L.H, Driscoll, P.C, Katan, M.
Deposit date:2005-08-01
Release date:2006-02-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and Mechanistic Insights Into Ras Association Domains of Phospholipase C Epsilon.
Mol.Cell, 21, 2006
2BYE
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BU of 2bye by Molmil
NMR solution structure of phospholipase c epsilon RA 1 domain
Descriptor: PHOSPHOLIPASE C, EPSILON 1
Authors:Bunney, T.D, Harris, R, Gandarillas, N.L, Josephs, M.B, Roe, S.M, Paterson, H.F, Rodrigues-Lima, F, Esposito, D, Gieschik, P, Pearl, L.H, Driscoll, P.C, Katan, M.
Deposit date:2005-08-01
Release date:2006-02-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and Mechanistic Insights Into Ras Association Domains of Phospholipase C Epsilon.
Mol.Cell, 21, 2006
8C0Q
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BU of 8c0q by Molmil
Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative.
Descriptor: (4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
8C0R
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BU of 8c0r by Molmil
Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative.
Descriptor: Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2022-12-19
Release date:2023-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
8CR0
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BU of 8cr0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor
Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2023-03-07
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography.
J.Med.Chem., 66, 2023
5FEY
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BU of 5fey by Molmil
TRIM32 RING
Descriptor: E3 ubiquitin-protein ligase TRIM32, ZINC ION
Authors:Rittinger, K, Esposito, D, Koliopoulos, M.G.
Deposit date:2015-12-17
Release date:2016-05-18
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Functional role of TRIM E3 ligase oligomerization and regulation of catalytic activity.
Embo J., 35, 2016
5FER
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BU of 5fer by Molmil
Complex of TRIM25 RING with UbcH5-Ub
Descriptor: E3 ubiquitin/ISG15 ligase TRIM25, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 D1, ...
Authors:Rittinger, K, Koliopoulos, M.G, Esposito, D.
Deposit date:2015-12-17
Release date:2016-05-18
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Functional role of TRIM E3 ligase oligomerization and regulation of catalytic activity.
Embo J., 35, 2016
6GGO
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BU of 6ggo by Molmil
Crystal structure of Salmonella zinc metalloprotease effector GtgA
Descriptor: Bacteriophage virulence determinant, CHLORIDE ION, ZINC ION
Authors:Jennings, E, Esposito, D, Rittinger, K, Thurston, T.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-function analyses of the bacterial zinc metalloprotease effector protein GtgA uncover key residues required for deactivating NF-kappa B.
J. Biol. Chem., 293, 2018
6GGR
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BU of 6ggr by Molmil
Crystal structure of Salmonella zinc metalloprotease effector GtgA in complex with p65
Descriptor: Bacteriophage virulence determinant, CHLORIDE ION, Transcription factor p65
Authors:Jennings, E, Esposito, D, Rittinger, K, Thurston, T.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Structure-function analyses of the bacterial zinc metalloprotease effector protein GtgA uncover key residues required for deactivating NF-kappa B.
J. Biol. Chem., 293, 2018
6I9H
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BU of 6i9h by Molmil
Solution structure of TRIM28 RING domain
Descriptor: Transcription intermediary factor 1-beta, ZINC ION
Authors:Stevens, R.V, Esposito, D, Rittinger, K.
Deposit date:2018-11-23
Release date:2019-05-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Characterisation of class VI TRIM RING domains: linking RING activity to C-terminal domain identity.
Life Sci Alliance, 2, 2019
1Q2Z
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BU of 1q2z by Molmil
The 3D solution structure of the C-terminal region of Ku86
Descriptor: ATP-dependent DNA helicase II, 80 kDa subunit
Authors:Harris, R, Esposito, D, Sankar, A, Maman, J.D, Hinks, J.A, Pearl, L.H, Driscoll, P.C.
Deposit date:2003-07-28
Release date:2004-01-13
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The 3D Solution Structure of the C-terminal Region of Ku86 (Ku86CTR)
J.Mol.Biol., 335, 2004
6SDT
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BU of 6sdt by Molmil
HUMAN CARBONIC ANHYDRASE VII IN COMPLEX WITH A SULFONAMIDE INHIBITOR
Descriptor: Carbonic anhydrase 7, ZINC ION, phenyl-(4-sulfamoylphenoxy)phosphinic acid
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2019-07-29
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 63, 2020
6SDS
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BU of 6sds by Molmil
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2019-07-29
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 63, 2020
7TPR
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BU of 7tpr by Molmil
Camel nanobodies 7A3 and 8A2 broadly neutralize SARS-CoV-2 variants
Descriptor: Nanobody 7A3, Nanobody 8A2, Spike glycoprotein
Authors:Butay, K.J, Zhu, J, Dandey, V.P, Hong, J, Kwon, H.J, Chen, C.Z, Duan, Z, Li, D, Ren, H, Liang, T, Martin, N, Esposito, D, Ortega-Rodriguez, U, Xu, M, Xie, H, Ho, M, Cachau, R, Borgnia, M.J.
Deposit date:2022-01-25
Release date:2022-04-20
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Camel nanobodies broadly neutralize SARS-CoV-2 variants
bioRxiv, 2021
6YQT
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BU of 6yqt by Molmil
CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE
Descriptor: 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2020-04-18
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site.
Chem.Commun.(Camb.), 56, 2020

 

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