3C8P
 
 | | X-ray structure of Viscotoxin A1 from Viscum album L. | | Descriptor: | Viscotoxin A1 | | Authors: | Pal, A, Debreczeni, J.E, Sevvana, M, Gruene, T, Kahle, B, Zeeck, A, Sheldrick, G.M. | | Deposit date: | 2008-02-13 | | Release date: | 2008-06-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone
Acta Crystallogr.,Sect.D, 64, 2008
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3EE6
 | | Crystal Structure Analysis of Tripeptidyl peptidase -I | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Pal, A, Kraetzner, R, Grapp, M, Gruene, T, Schreiber, K, Granborg, M, Urlaub, H, Asif, A.R, Becker, S, Gartner, J, Sheldrick, G.M, Steinfeld, R. | | Deposit date: | 2008-09-04 | | Release date: | 2008-11-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of tripeptidyl-peptidase I provides insight into the molecular basis of late infantile neuronal ceroid lipofuscinosis
J.Biol.Chem., 284, 2009
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2C12
 | | Crystal Structure of Nitroalkane Oxidase in Complex with Spermine, a Competitive Inhibitor | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Nagpal, A, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | Deposit date: | 2005-09-10 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal Structures of Nitroalkane Oxidase: Insights Into the Reaction Mechanism from a Covalent Complex of the Flavoenzyme Trapped During Turnover.
Biochemistry, 45, 2006
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2C0U
 | | Crystal Structure of a Covalent Complex of Nitroalkane Oxidase Trapped During Substrate Turnover | | Descriptor: | (2S)-2-NITROBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, NITROALKANE OXIDASE | | Authors: | Nagpal, A, Valley, M.P, Fitzpatrick, P.F, Orville, A.M. | | Deposit date: | 2005-09-07 | | Release date: | 2006-02-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of Nitroalkane Oxidase: Insights Into the Reaction Mechanism from a Covalent Complex of the Flavoenzyme Trapped During Turnover.
Biochemistry, 45, 2006
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5AGS
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct 3-(Aminomethyl)-4-bromo-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5AGT
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5AGR
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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4F8T
 | | Crystal Structure of the Human BTN3A3 Ectodomain | | Descriptor: | Butyrophilin subfamily 3 member A3 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-17 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.382 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell response by CD277/Butryophilin (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F9L
 | | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 20.1 Single Chain Antibody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 20.1 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-18 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1404 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F9P
 | | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 103.2 Single Chain Antibody | | Descriptor: | 103.2 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-19 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.519 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F80
 | | Crystal Structure of the human BTN3A1 ectodomain | | Descriptor: | Butyrophilin subfamily 3 member A1 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-16 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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4F8Q
 | | Crystal Structure of the Human BTN3A2 Ectodomain | | Descriptor: | Butyrophilin subfamily 3 member A2 | | Authors: | Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J. | | Deposit date: | 2012-05-17 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3789 Å) | | Cite: | The molecular basis for modulation of human V(gamma)9V(delta)2 T cell responses by CD277/Butyrophilin-3 (BTN3A)-specific antibodies
J.Biol.Chem., 287, 2012
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2VG6
 | | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | | Deposit date: | 2007-11-08 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
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2VG5
 | | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | | Deposit date: | 2007-11-08 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
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2VG7
 | | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors | | Descriptor: | O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | | Authors: | Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M. | | Deposit date: | 2007-11-08 | | Release date: | 2007-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
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1URH
 | | The "Rhodanese" fold and catalytic mechanism of 3-mercaptopyruvate sulfotransferases: Crystal structure of SseA from Escherichia coli | | Descriptor: | 3-MERCAPTOPYRUVATE SULFURTRANSFERASE, SULFITE ION | | Authors: | Spallarossa, A, Forlani, F, Carpen, A, Armirotti, A, Pagani, S, Bolognesi, M, Bordo, D. | | Deposit date: | 2003-10-30 | | Release date: | 2003-12-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The "Rhodanese" Fold and Catalytic Mechanism of 3-Mercaptopyruvate Sulfurtransferases: Crystal Structure of Ssea from Escherichia Coli
J.Mol.Biol., 335, 2004
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4F7I
 | | Structure of Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH | | Descriptor: | 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ... | | Authors: | Pallo, A, Graczer, E, Zavodszky, P, Weiss, M.S, Vas, M. | | Deposit date: | 2012-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and energetic basis of isopropylmalate dehydrogenase enzyme catalysis.
Febs J., 281, 2014
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2GC8
 | | Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase | | Descriptor: | 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase | | Authors: | Gopalsamy, A, Chopra, R, Lim, K, Ciszewski, G, Shi, M, Curran, K.J, Sukits, S.F, Svenson, K, Bard, J, Ellingboe, J.W, Agarwal, A, Krishnamurthy, G, Howe, A.Y, Orlowski, M, Feld, B, O'connell, J, Mansour, T.S. | | Deposit date: | 2006-03-13 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Proline Sulfonamides as Potent and Selective Hepatitis C Virus NS5b Polymerase Inhibitors. Evidence for a New NS5b Polymerase Binding Site.
J.Med.Chem., 49, 2006
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4FUL
 | | PI3 Kinase Gamma bound to a pyrmidine inhibitor | | Descriptor: | 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K. | | Deposit date: | 2012-06-28 | | Release date: | 2012-10-17 | | Last modified: | 2012-10-31 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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2VNF
 | | MOLECULAR BASIS OF HISTONE H3K4ME3 RECOGNITION BY ING4 | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, HISTONE H3, ... | | Authors: | Palacios, A, Munoz, I.G, Pantoja-Uceda, D, Marcaida, M.J, Torres, D, Martin-Garcia, J.M, Luque, I, Montoya, G, Blanco, F.J. | | Deposit date: | 2008-02-04 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Molecular Basis of Histone H3K4Me3 Recognition by Ing4
J.Biol.Chem., 283, 2008
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3BM9
 | | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | | Descriptor: | 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | | Deposit date: | 2007-12-12 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
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3BMY
 | | Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90 | | Descriptor: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F. | | Deposit date: | 2007-12-13 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
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1GMX
 | | Escherichia coli GlpE sulfurtransferase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, THIOSULFATE SULFURTRANSFERASE GLPE | | Authors: | Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D. | | Deposit date: | 2001-09-25 | | Release date: | 2001-11-28 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
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1GN0
 | | Escherichia coli GlpE sulfurtransferase soaked with KCN | | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, THIOSULFATE SULFURTRANSFERASE GLPE | | Authors: | Spallarossa, A, Donahue, J.T, Larson, T.J, Bolognesi, M, Bordo, D. | | Deposit date: | 2001-10-01 | | Release date: | 2001-11-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Escherichia Coli Glpe is a Prototype Sulfurtransferase for the Single-Domain Rhodanese Homology Superfamily
Structure, 9, 2001
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5FOL
 | | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with a post-transfer editing analogue of isoeucine (Ile2AA) | | Descriptor: | 2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | | Deposit date: | 2015-11-24 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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