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4R3R
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BU of 4r3r by Molmil
Crystal structures of EGFR in complex with Mig6
Descriptor: Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1'
Authors:Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J.
Deposit date:2014-08-17
Release date:2015-08-12
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
2N73
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BU of 2n73 by Molmil
Solution structure of the ACBD3:PI4KB complex
Descriptor: Golgi resident protein GCP60, Phosphatidylinositol 4-kinase beta
Authors:Veverka, V, Hexnerova, R.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein.
Sci Rep, 6, 2016
8AY1
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BU of 8ay1 by Molmil
Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ...
Authors:Hurtado-Guerrero, R, Merino, P.
Deposit date:2022-09-01
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2.
Angew.Chem.Int.Ed.Engl., 61, 2022
2N72
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BU of 2n72 by Molmil
Solution structure of the Q domain from ACBD3
Descriptor: Golgi resident protein GCP60
Authors:Veverka, V, Hexnerova, R.
Deposit date:2015-09-02
Release date:2016-07-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein.
Sci Rep, 6, 2016
4D69
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BU of 4d69 by Molmil
SOYBEAN AGGLUTININ FROM GLYCINE MAX IN COMPLEX WITH THE ANTIGEN Tn
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LECTIN, ...
Authors:Madariaga, D, Martinez-Saez, N, Somovilla, V.J, Coelho, H, Valero-Gonzalez, J, Castro-Lopez, J, Asensio, J.L, Jimenez-Barbero, J, Busto, J.H, Avenoza, A, Marcelo, F, Hurtado-Guerrero, R, Corzana, F, Peregrina, J.M.
Deposit date:2014-11-10
Release date:2014-11-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Detection of Tumor-Associated Glycopeptides by Lectins: The Peptide Context Modulates Carbohydrate Recognition.
Acs Chem.Biol., 10, 2015
4OQM
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BU of 4oqm by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
Descriptor: 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with F-ARA-EdU
To be Published
4OQL
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BU of 4oql by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
Descriptor: 2'-deoxy-5-ethynyl-2',2'-difluorouridine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU
To be Published
4OQN
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BU of 4oqn by Molmil
Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
Descriptor: 2'-deoxy-5-ethynyluridine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N.W, Scapozza, L.
Deposit date:2014-02-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU
To be Published
4BR3
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BU of 4br3 by Molmil
Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies
Descriptor: 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium, 3-benzyladenine, CHOLINE KINASE ALPHA, ...
Authors:Sahun-Roncero, M, Rubio-Ruiz, B, Conejo-Garcia, A, Velazquez-Campoy, A, Entrena, A, Hurtado-Guerrero, R.
Deposit date:2013-06-03
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Determination of Potential Scaffolds for Human Choline Kinase Alpha 1 by Chemical Deconvolution Studies
Chembiochem, 14, 2013
7R4Q
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BU of 7r4q by Molmil
The SARS-CoV-2 spike in complex with the 1.29 neutralizing nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.29, ...
Authors:Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A.
Deposit date:2022-02-09
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
7R4I
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BU of 7r4i by Molmil
The SARS-CoV-2 spike in complex with the 2.15 neutralizing nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 2.15, ...
Authors:Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A.
Deposit date:2022-02-08
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
7R4R
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BU of 7r4r by Molmil
The SARS-CoV-2 spike in complex with the 1.10 neutralizing nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.10, ...
Authors:Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A.
Deposit date:2022-02-09
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron.
Front Immunol, 13, 2022
4CG8
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BU of 4cg8 by Molmil
Human choline kinase a1 in complex with compound 14
Descriptor: 1-benzyl-4-(dimethylamino)pyridinium, 4-[(4-chlorophenyl)(methyl)amino]-1-{4-[4-(4-{[4-(dimethylamino)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA
Authors:Rubio-Ruiz, B, Figuerola-Conchas, A, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A.
Deposit date:2013-11-21
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
7YX8
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BU of 7yx8 by Molmil
Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+
Descriptor: GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ...
Authors:Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2022-02-15
Release date:2022-07-20
Last modified:2022-08-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut.
Nat Commun, 13, 2022
4NFU
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BU of 4nfu by Molmil
Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ...
Authors:Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E.
Deposit date:2013-11-01
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity.
Cell Host Microbe, 14, 2013
4CG9
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BU of 4cg9 by Molmil
Human choline kinase a1 in complex with compound 12
Descriptor: CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
Authors:Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A.
Deposit date:2013-11-21
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
4CGA
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BU of 4cga by Molmil
Human choline kinase a1 in complex with compound 5
Descriptor: CHOLINE KINASE ALPHA, N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine
Authors:Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A.
Deposit date:2013-11-21
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
2PCS
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BU of 2pcs by Molmil
Crystal structure of conserved protein from Geobacillus kaustophilus
Descriptor: Conserved protein, UNKNOWN LIGAND
Authors:Bonanno, J.B, Gilmore, J, Bain, K.T, Wu, B, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-30
Release date:2007-04-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of conserved protein from Geobacillus kaustophilus
To be Published
2QWT
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BU of 2qwt by Molmil
Crystal structure of the TetR transcription regulatory protein from Mycobacterium vanbaalenii
Descriptor: Transcriptional regulator, TetR family
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Adams, J, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-10
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the TetR transcription regulatory protein from Mycobacterium vanbaalenii.
To be Published
2P2U
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BU of 2p2u by Molmil
Crystal structure of putative host-nuclease inhibitor protein Gam from Desulfovibrio vulgaris
Descriptor: Host-nuclease inhibitor protein Gam, putative
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Zhang, F, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-03-07
Release date:2007-03-27
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of putative host-nuclease inhibitor protein Gam from Desulfovibrio vulgaris
To be Published
2QGY
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BU of 2qgy by Molmil
Crystal structure of an enolase from the environmental genome shotgun sequencing of the Sargasso Sea
Descriptor: Enolase from the environmental genome shotgun sequencing of the Sargasso Sea, MAGNESIUM ION
Authors:Bonanno, J.B, Gilmore, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-06-29
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of an enolase from the environmental genome shotgun sequencing of the Sargasso Sea.
To be Published
3F0T
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BU of 3f0t by Molmil
Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT
Descriptor: N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine, SULFATE ION, Thymidine kinase
Authors:Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L.
Deposit date:2008-10-26
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.
Nucleosides Nucleotides Nucleic Acids, 30, 2011
2QSJ
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BU of 2qsj by Molmil
Crystal structure of a LuxR family DNA-binding response regulator from Silicibacter pomeroyi
Descriptor: DNA-binding response regulator, LuxR family
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Mendoza, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-07-31
Release date:2007-08-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a LuxR family DNA-binding response regulator from Silicibacter pomeroyi.
To be Published
2QSD
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BU of 2qsd by Molmil
Crystal structure of a protein Il1583 from Idiomarina loihiensis
Descriptor: GLYCEROL, Uncharacterized conserved protein
Authors:Patskovsky, Y, Bonanno, J, Sauder, J.M, Romero, R, Rutter, M, Koss, J, Mckenzie, C, Gheyi, T, Bain, K, Wasserman, S.R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-07-30
Release date:2007-08-14
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a Protein Il1583 from Idiomarina loihiensis.
To be Published
2QZB
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BU of 2qzb by Molmil
Crystal structure of the uncharacterized protein yfeY from Escherichia coli
Descriptor: Uncharacterized protein yfeY
Authors:Bonanno, J.B, Gilmore, M, Bain, K.T, Wu, B, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-08-16
Release date:2007-08-28
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the uncharacterized protein yfeY from Escherichia coli.
To be Published

221716

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