3P8K
 
 | | Crystal Structure of a putative carbon-nitrogen family hydrolase from Staphylococcus aureus | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gordon, R.D, Qiu, W, Battaile, K, Lam, K, Soloveychik, M, Benetteraj, D, Romanov, V, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2010-10-14 | | Release date: | 2011-10-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of carbon-nitrogen family hydrolase from Staphylococcus aureus
To be Published
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2P1F
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2P8M
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN in new crystal form | | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | | Authors: | Julien, J.P, Bryson, S, Pai, E.F. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
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2PR4
 | | Crystal Structure of Fab' from the HIV-1 Neutralizing Antibody 2F5 | | Descriptor: | nmAb 2F5 Fab' Heavy Chain, nmAb 2F5 Fab' light Chain | | Authors: | Bryson, S, Julien, J.-P, Pai, E.F. | | Deposit date: | 2007-05-03 | | Release date: | 2007-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
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2PW2
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKWKSL | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, peptide epitope | | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | | Deposit date: | 2007-05-10 | | Release date: | 2007-05-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
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2Q8Z
 | | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase complexed with 6-amino-UMP | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-AMINOURIDINE 5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F. | | Deposit date: | 2007-06-12 | | Release date: | 2008-01-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase.
J.Med.Chem., 51, 2008
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2PW1
 | | Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKWNSL | | Descriptor: | 2F5 Fab fragment heavy chain, 2F5 Fab fragment light chain, peptide epitope | | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | | Deposit date: | 2007-05-10 | | Release date: | 2007-05-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications.
J.Virol., 83, 2009
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2Q5R
 | | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase | | Descriptor: | Tagatose-6-phosphate kinase | | Authors: | McGrath, T.E, Soloveychik, M, Romanov, V, Thambipillai, D, Dharamsi, A, Virag, C, Domagala, M, Pai, E.F, Edwards, A.M, Battaile, K, Chirgadze, N.Y. | | Deposit date: | 2007-06-01 | | Release date: | 2007-06-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase
TO BE PUBLISHED
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2Q8L
 | | Crystal structure of orotidine 5'-phosphate decarboxylase from Plasmodium falciparum | | Descriptor: | Orotidine-monophosphate-decarboxylase, PHOSPHATE ION | | Authors: | Liu, Y, Lau, W, Lew, J, Amani, M, Hui, R, Pai, E.F, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-11 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of orotidine 5'-phosphate decarboxylase from Plasmodium falciparum.
To be Published
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2QAF
 | | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-iodo-UMP | | Descriptor: | Orotidine 5' monophosphate decarboxylase, SULFATE ION, URIDINE-5'-MONOPHOSPHATE | | Authors: | Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F. | | Deposit date: | 2007-06-15 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase
J.Med.Chem., 51, 2008
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3Q16
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3PQR
 | | Crystal structure of Metarhodopsin II in complex with a C-terminal peptide derived from the Galpha subunit of transducin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Guanine nucleotide-binding protein G(t) subunit alpha-1, ... | | Authors: | Choe, H.-W, Kim, Y.J, Park, J.H, Morizumi, T, Pai, E.F, Krauss, N, Hofmann, K.P, Scheerer, P, Ernst, O.P. | | Deposit date: | 2010-11-26 | | Release date: | 2011-03-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal structure of metarhodopsin II.
Nature, 471, 2011
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3PXO
 | | Crystal structure of Metarhodopsin II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, RETINAL, ... | | Authors: | Choe, H.-W, Kim, Y.J, Park, J.H, Morizumi, T, Pai, E.F, Krauss, N, Hofmann, K.P, Scheerer, P, Ernst, O.P. | | Deposit date: | 2010-12-10 | | Release date: | 2011-03-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of metarhodopsin II.
Nature, 471, 2011
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3R3U
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/apo | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, NICKEL (II) ION | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R41
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-17 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3W
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3V
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3RFN
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | BB_1wnu_001, ZINC ION | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-06 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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3RHU
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | SC_1wnu | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-12 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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3R3Z
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R3Y
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R40
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3RI0
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | BB_2cx5_001, GLYCEROL, SULFATE ION | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-12 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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3R3X
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3RIJ
 | | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | | Descriptor: | GLYCEROL, SC_2cx5 | | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | | Deposit date: | 2011-04-13 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
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