4YP7
| Crystal structure of Methanobacterium thermoautotrophicum NMNAT in complex with NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Nicotinamide-nucleotide adenylyltransferase | Authors: | Pfoh, R, Christendat, D, Pai, E.F, Saridakis, V. | Deposit date: | 2015-03-12 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Nicotinamide mononucleotide adenylyltransferase displays alternate binding modes for nicotinamide nucleotides. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4YP6
| Crystal structure of Methanobacterium thermoautotrophicum NMNAT in complex with NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Nicotinamide-nucleotide adenylyltransferase | Authors: | Pfoh, R, Christendat, D, Pai, E.F, Saridakis, V. | Deposit date: | 2015-03-12 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nicotinamide mononucleotide adenylyltransferase displays alternate binding modes for nicotinamide nucleotides. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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2HN2
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3IDM
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3IDI
| Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 Fab' fragment in complex with gp41 Peptide ALDKWNQ | Descriptor: | 2F5 Fab heavy chain, 2F5 Fab light chain, GLYCEROL, ... | Authors: | Julien, J.-P, Bryson, S, Pai, E.F. | Deposit date: | 2009-07-21 | Release date: | 2010-03-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 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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3IDJ
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3IDG
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4HMM
| Crystal structure of mutant rabbit PRP 121-230 (S174N) | Descriptor: | CHLORIDE ION, GLYCEROL, Major prion protein, ... | Authors: | Sweeting, B, Chakrabartty, A, Pai, E.F. | Deposit date: | 2012-10-18 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | N-Terminal Helix-Cap in alpha-Helix 2 Modulates beta-State Misfolding in Rabbit and Hamster Prion Proteins. Plos One, 8, 2013
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3IDN
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4NEV
| Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | Deposit date: | 2013-10-30 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase. Chemmedchem, 9, 2014
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3KOR
| Crystal structure of a putative Trp repressor from Staphylococcus aureus | Descriptor: | Possible Trp repressor | Authors: | Lam, R, Vodsedalek, J, Lam, K, Romanov, V, Battaile, K.P, Beletskaya, I, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2009-11-13 | Release date: | 2010-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a putative Trp repressor from Staphylococcus aureus To be Published
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3L5A
| Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus | Descriptor: | NADH/flavin oxidoreductase/NADH oxidase, TRIETHYLENE GLYCOL | Authors: | Lam, R, Gordon, R.D, Vodsedalek, J, Battaile, K.P, Grebemeskel, S, Lam, K, Romanov, V, Chan, T, Mihajlovic, V, Thompson, C.M, Guthrie, J, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2009-12-21 | Release date: | 2010-12-22 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus To be Published
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3L20
| Crystal structure of a hypothetical protein from Staphylococcus aureus | Descriptor: | Putative uncharacterized protein | Authors: | Lam, R, Chan, T, Battaile, K.P, Mihajlovic, V, Romanov, V, Soloveychik, M, Kisselman, G, McGrath, T.E, Lam, K, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2009-12-14 | Release date: | 2010-10-27 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Crystal structure of a hypothetical protein from Staphylococcus aureus To be Published
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3MW7
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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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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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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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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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6QKS
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Apo | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
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2E6Y
| Covalent complex of orotidine 5'-monophosphate decarboxylase (ODCase) with 6-Iodo-UMP | Descriptor: | GLYCEROL, Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Fujihashi, M, Bello, A.M, Kotra, L.P, Pai, E.F. | Deposit date: | 2007-01-05 | Release date: | 2007-02-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Potent, Covalent Inhibitor of Orotidine 5'-Monophosphate Decarboxylase with Antimalarial Activity. J.Med.Chem., 50, 2007
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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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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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3N75
| X-ray Crystal Structure of the Escherichia coli Inducible Lysine Decarboxylase LdcI | Descriptor: | GLYCEROL, GUANOSINE-5',3'-TETRAPHOSPHATE, HEXAETHYLENE GLYCOL, ... | Authors: | Kanjee, U, Alexopoulos, E, Pai, E.F, Houry, W.A. | Deposit date: | 2010-05-26 | Release date: | 2011-02-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase. Embo J., 30, 2011
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2AZP
| Crystal Structure of PA1268 Solved by Sulfur SAD | Descriptor: | hypothetical protein PA1268 | Authors: | Liu, Y, Gorodichtchenskaia, E, Skarina, T, Yang, C, Joachimiak, A, Edwards, A, Pai, E.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-09-12 | Release date: | 2005-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal Structure of PA1268 Solved by Sulfur SAD To be Published
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