2F5A
| CRYSTAL STRUCTURE OF FAB' FROM THE HIV-1 NEUTRALIZING ANTIBODY 2F5 | Descriptor: | PROTEIN (ANTIBODY 2F5 (HEAVY CHAIN)), PROTEIN (ANTIBODY 2F5 (LIGHT CHAIN)) | Authors: | Bryson, S, Julien, J.P, Hynes, R.C, Pai, E.F. | Deposit date: | 1999-04-08 | Release date: | 2003-07-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 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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2F5B
| CRYSTAL STRUCTURE OF FAB' FROM THE HIV-1 NEUTRALIZING ANTIBODY 2F5 IN COMPLEX WITH ITS GP41 EPITOPE | Descriptor: | PROTEIN (ANTIBODY 2F5 (HEAVY CHAIN)), PROTEIN (ANTIBODY 2F5 (LIGHT CHAIN)), PROTEIN (GP41 EPITOPE) | Authors: | Bryson, S, Julien, J.P, Hynes, R.C, Pai, E.F. | Deposit date: | 1999-04-09 | Release date: | 2003-07-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 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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1ZK7
| Crystal Structure of Tn501 MerA | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Mercuric reductase, ... | Authors: | Dong, A, Ledwidge, R, Patel, B, Fiedler, D, Falkowski, M, Zelikova, J, Summers, A.O, Pai, E.F, Miller, S.M. | Deposit date: | 2005-05-02 | Release date: | 2005-07-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | NmerA, the Metal Binding Domain of Mercuric Ion Reductase, Removes Hg(2+) from Proteins, Delivers It to the Catalytic Core, and Protects Cells under Glutathione-Depleted Conditions Biochemistry, 44, 2005
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1U8O
| Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKHAS | Descriptor: | ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | Deposit date: | 2004-08-06 | Release date: | 2004-10-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.02 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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1U8Q
| Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELEKWAS | Descriptor: | ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | Deposit date: | 2004-08-06 | Release date: | 2004-10-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.24 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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1U93
| Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide Analog EQDKW-[Dap]-S (cyclic) | Descriptor: | ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE ANALOG | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | Deposit date: | 2004-08-09 | Release date: | 2004-10-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.37 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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2FV2
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1U8I
| Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKWAN | Descriptor: | ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE | Authors: | Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. | Deposit date: | 2004-08-06 | Release date: | 2004-10-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 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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2FTP
| Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa | Descriptor: | GLYCEROL, SODIUM ION, hydroxymethylglutaryl-CoA lyase | Authors: | Xiao, T, Evdokimova, E, Liu, Y, Kudritska, M, Savchenko, A, Pai, E.F, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-24 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of hydroxymethylglutaryl-CoA lyase from Pseudomonas aeruginosa To be Published
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2GUU
| crystal structure of Plasmodium vivax orotidine 5-monophosphate decarboxylase with 6-aza-UMP bound | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, ODcase | Authors: | Dong, A, Lew, J, Zhao, Y, Sundararajan, E, Wasney, G, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Pai, E.F, Kotra, L, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2006-05-01 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structure of Plasmodium vivax orotidine 5-monophosphate decarboxylase with 6-aza-UMP bound To be Published
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2HN2
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2HN1
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2IHY
| Structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter | Descriptor: | ABC transporter, ATP-binding protein, SULFATE ION | Authors: | McGrath, T.E, Yu, C.S, Romanov, V, Lam, R, Dharamsi, A, Virag, C, Mansoury, K, Thambipillai, D, Richards, D, Guthrie, J, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2006-09-27 | Release date: | 2007-09-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter To be Published
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6OEX
| Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | Descriptor: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | Deposit date: | 2019-03-28 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6OEY
| Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-5-{5-[1-(Pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | Deposit date: | 2019-03-28 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6OEZ
| Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ... | Authors: | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | Deposit date: | 2019-03-28 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6QKU
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Chloroacetate soaked 2hr | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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6QHZ
| Time resolved structural analysis of the full turnover of an enzyme - 6788 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QHT
| Time resolved structural analysis of the full turnover of an enzyme - 376 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QI2
| Time resolved structural analysis of the full turnover of an enzyme - 13536 ms | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QKW
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.512 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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6QHU
| Time resolved structural analysis of the full turnover of an enzyme - 100 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QI1
| Time resolved structural analysis of the full turnover of an enzyme - 12312 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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6QKT
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 24hr - Glycolate bound | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.512 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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6QHY
| Time resolved structural analysis of the full turnover of an enzyme - 100 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
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