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4PUF
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BU of 4puf by Molmil
Complex between the Salmonella T3SS effector SlrP and its human target thioredoxin-1
Descriptor: E3 ubiquitin-protein ligase SlrP, Thioredoxin
Authors:Zouhir, S, Bernal-Bayard, J, Cordero-Alba, M, Cardenal-Munoz, E, Guimaraes, B, Lazar, N, Ramos-Morales, F, Nessler, S.
Deposit date:2014-03-13
Release date:2014-09-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.296 Å)
Cite:The structure of the Slrp-Trx1 complex sheds light on the autoinhibition mechanism of the type III secretion system effectors of the NEL family.
Biochem.J., 464, 2014
2JON
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BU of 2jon by Molmil
Solution structure of the C-terminal domain Ole e 9
Descriptor: Beta-1,3-glucanase
Authors:Trevino, M.A, Palomares, O, Castrillo, I, Villalba, M, Rodriguez, R, Rico, M, Santoro, J, Bruix, M.
Deposit date:2007-03-14
Release date:2008-01-29
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of Ole e 9, a major allergen of olive pollen
Protein Sci., 17, 2008
1SM7
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BU of 1sm7 by Molmil
Solution structure of the recombinant pronapin precursor, BnIb.
Descriptor: recombinant Ib pronapin
Authors:Pantoja-Uceda, D, Palomares, O, Bruix, M, Villalba, M, Rodriguez, R, Rico, M, Santoro, J.
Deposit date:2004-03-08
Release date:2005-02-01
Last modified:2013-05-01
Method:SOLUTION NMR
Cite:Solution structure and stability against digestion of rproBnIb, a recombinant 2S albumin from rapeseed: relationship to its allergenic properties.
Biochemistry, 43, 2004
1SS3
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BU of 1ss3 by Molmil
Solution structure of Ole e 6, an allergen from olive tree pollen
Descriptor: Pollen allergen Ole e 6
Authors:Trevino, M.A, Garcia-Mayoral, M.F, Barral, P, Villalba, M, Santoro, J, Rico, M, Rodriguez, R, Bruix, M.
Deposit date:2004-03-23
Release date:2004-08-03
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR Solution Structure of Ole e 6, a Major Allergen from Olive Tree Pollen.
J.Biol.Chem., 279, 2004
4KNB
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BU of 4knb by Molmil
C-Met in complex with OSI ligand
Descriptor: 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
Authors:Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J.
Deposit date:2013-05-09
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
6YOA
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BU of 6yoa by Molmil
Lig v 1 structure and the inflammatory response to the Ole e 1 protein family
Descriptor: Major pollen allergen Lig v 1, NICKEL (II) ION
Authors:Robledo-Retana, T, Bradley-Clark, J, Croll, T, Rose, R, Stagg, A, Villalba, M, Pickersgill, R.
Deposit date:2020-04-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Lig v 1 structure and the inflammatory response to the Ole e 1 protein family.
Allergy, 75, 2020
4ID7
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BU of 4id7 by Molmil
ACK1 kinase in complex with the inhibitor cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
Descriptor: Activated CDC42 kinase 1, SULFATE ION, cis-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]cyclobutanol
Authors:Jin, M, Wang, J, Kleinberg, A, Kadalbajoo, M, Siu, K, Cooke, A, Bittner, M, Yao, Y, Thelemann, A, Ji, Q, Bhagwat, S, Crew, A.P, Pachter, J, Epstein, D, Mulvihill, M.J.
Deposit date:2012-12-11
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
2MUJ
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BU of 2muj by Molmil
Plasmodium falciparum SERA protein peptide analogues having short helical regions induce protection against malaria
Descriptor: Serine-repeat antigen protein
Authors:Cubillos, M, Alba, M, Bermudez, A, Trujillo, M, Patarroyo, M.E.
Deposit date:2014-09-10
Release date:2015-02-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Plasmodium falciparum SERA protein peptide analogues having short helical regions induce protection against malaria.
Biochimie, 85, 2003
2MUD
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BU of 2mud by Molmil
Structural modifications to a high-activity binding peptide located whitin the PfEMP1 NTS domain induce protection against P. falciparum malaria in Aotus monkeys
Descriptor: Variant-specific surface protein
Authors:Curtidor, H, Torres, M, Alba, M, Patarroyo, M.
Deposit date:2014-09-08
Release date:2015-09-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural modifications to a high-activity binding peptide located within the PfEMP1 NTS domain induce protection against P. falciparum malaria in Aotus monkeys.
Biol.Chem., 388, 2007
2MU9
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BU of 2mu9 by Molmil
Changing ABRA protein peptide to fit the HLA-DR B1*0301 molecule renders it protection-inducing
Descriptor: P101/acidic basic repeat antigen
Authors:Salazar, L, Alba, M, Curtidor, H, Bermudez, A, Vargas, L, Rivera, Z, Patarroyo, M.
Deposit date:2014-09-04
Release date:2015-09-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Changing ABRA protein peptide to fit into the HLA-DRbeta1*0301 molecule renders it protection-inducing.
Biochem.Biophys.Res.Commun., 322, 2004
7OVD
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BU of 7ovd by Molmil
Human soluble adenylyl cyclase in complex with the inhibitor TDI10229
Descriptor: 1,2-ETHANEDIOL, 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
Authors:Steegborn, C, Quast, J.
Deposit date:2021-06-14
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10).
Acs Med.Chem.Lett., 12, 2021
8PF2
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BU of 8pf2 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
Descriptor: Chemotaxis protein CheA, RESORCINOL
Authors:Adhav, A, Marina, A.
Deposit date:2023-06-15
Release date:2024-06-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity.
Microbiol Spectr, 2024
8B75
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BU of 8b75 by Molmil
CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLYL CYCLASE IN COMPLEX WITH THE INHIBITOR TDI-011861
Descriptor: Adenylate cyclase type 10, [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
Authors:Steegborn, C, Kehr, M.
Deposit date:2022-09-28
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates.
J.Med.Chem., 65, 2022
2OPO
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BU of 2opo by Molmil
Crystal structure of the calcium-binding pollen allergen Che a 3
Descriptor: CALCIUM ION, Polcalcin Che a 3, SULFATE ION
Authors:Verdino, P, Keller, W.
Deposit date:2007-01-29
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Three-dimensional structure of the cross-reactive pollen allergen Che a 3: visualizing cross-reactivity on the molecular surfaces of weed, grass, and tree pollen allergens.
J.Immunol., 180, 2008
6XEQ
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BU of 6xeq by Molmil
Crystal structure of the tetrameric 6-phosphogluconate dehydrogenase from Gluconobacter oxidans
Descriptor: 6-phosphogluconate dehydrogenase, SULFATE ION
Authors:Maturana, P, Roversi, P, Castro-Fernandez, V, Herrera-Morande, A, Garratt, R.C, Cabrera, R.
Deposit date:2020-06-13
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the 6-phosphogluconate dehydrogenase from Gluconobacter oxydans reveals tetrameric 6PGDHs as the crucial intermediate in the evolution of structure and cofactor preference in the 6PGDH family [version 1; peer review: 1 approved, 1 approved with reservations]
Wellcome Open Res, 6, 2021
5JX4
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BU of 5jx4 by Molmil
Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein.
Descriptor: Cold shock protein CspB, SULFATE ION
Authors:Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J.
Deposit date:2016-05-12
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics.
FEBS J., 284, 2017
4Z8W
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BU of 4z8w by Molmil
Crystal Structure of the Major Plantain Pollen Allergen Pla l 1
Descriptor: Major pollen allergen Pla l 1, ZINC ION
Authors:Freier, R, Brandstetter, H.
Deposit date:2015-04-09
Release date:2016-07-06
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of Pla l 1 reveals both structural similarity and allergenic divergence within the Ole e 1-like protein family.
J. Allergy Clin. Immunol., 140, 2017
6C8Z
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BU of 6c8z by Molmil
Last common ancestor of ADP-dependent phosphofructokinases from Methanosarcinales
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADP-dependent phosphofructokinase, MAGNESIUM ION, ...
Authors:Castro-Fernandez, V, Gonzalez-Ordenes, F, Munoz, S, Fuentes, N, Leonardo, D, Fuentealba, M, Herrera-Morande, A, Maturana, P, Villalobos, P, Garratt, R.
Deposit date:2018-01-25
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:ADP-Dependent Kinases From the Archaeal OrderMethanosarcinalesAdapt to Salt by a Non-canonical Evolutionarily Conserved Strategy.
Front Microbiol, 9, 2018

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