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3C8P
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BU of 3c8p by Molmil
X-ray structure of Viscotoxin A1 from Viscum album L.
分子名称: Viscotoxin A1
著者Pal, A, Debreczeni, J.E, Sevvana, M, Gruene, T, Kahle, B, Zeeck, A, Sheldrick, G.M.
登録日2008-02-13
公開日2008-06-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structures of viscotoxins A1 and B2 from European mistletoe solved using native data alone
Acta Crystallogr.,Sect.D, 64, 2008
3EE6
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BU of 3ee6 by Molmil
Crystal Structure Analysis of Tripeptidyl peptidase -I
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者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.
登録日2008-09-04
公開日2008-11-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of tripeptidyl-peptidase I provides insight into the molecular basis of late infantile neuronal ceroid lipofuscinosis
J.Biol.Chem., 284, 2009
3BMY
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BU of 3bmy by Molmil
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90
分子名称: 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者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.
登録日2007-12-13
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
2C12
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BU of 2c12 by Molmil
Crystal Structure of Nitroalkane Oxidase in Complex with Spermine, a Competitive Inhibitor
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Nagpal, A, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
登録日2005-09-10
公開日2006-02-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal Structures of Nitroalkane Oxidase: Insights Into the Reaction Mechanism from a Covalent Complex of the Flavoenzyme Trapped During Turnover.
Biochemistry, 45, 2006
2C0U
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Crystal Structure of a Covalent Complex of Nitroalkane Oxidase Trapped During Substrate Turnover
分子名称: (2S)-2-NITROBUTANE, FLAVIN-ADENINE DINUCLEOTIDE, NITROALKANE OXIDASE
著者Nagpal, A, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
登録日2005-09-07
公開日2006-02-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of Nitroalkane Oxidase: Insights Into the Reaction Mechanism from a Covalent Complex of the Flavoenzyme Trapped During Turnover.
Biochemistry, 45, 2006
1URH
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BU of 1urh by Molmil
The "Rhodanese" fold and catalytic mechanism of 3-mercaptopyruvate sulfotransferases: Crystal structure of SseA from Escherichia coli
分子名称: 3-MERCAPTOPYRUVATE SULFURTRANSFERASE, SULFITE ION
著者Spallarossa, A, Forlani, F, Carpen, A, Armirotti, A, Pagani, S, Bolognesi, M, Bordo, D.
登録日2003-10-30
公開日2003-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The "Rhodanese" Fold and Catalytic Mechanism of 3-Mercaptopyruvate Sulfurtransferases: Crystal Structure of Ssea from Escherichia Coli
J.Mol.Biol., 335, 2004
5AGS
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BU of 5ags by Molmil
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
分子名称: 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE, LEUCYL-TRNA SYNTHETASE, METHIONINE
著者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.
登録日2015-02-03
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGT
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BU of 5agt by Molmil
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
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ...
著者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.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGR
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BU of 5agr by Molmil
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
分子名称: 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ...
著者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.
登録日2015-02-03
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
2VG7
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BU of 2vg7 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
分子名称: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
登録日2007-11-08
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
2VG5
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BU of 2vg5 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
分子名称: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
登録日2007-11-08
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
2VG6
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BU of 2vg6 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
分子名称: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
著者Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
登録日2007-11-08
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
4F8T
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BU of 4f8t by Molmil
Crystal Structure of the Human BTN3A3 Ectodomain
分子名称: Butyrophilin subfamily 3 member A3
著者Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日2012-05-17
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献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
4F9L
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BU of 4f9l by Molmil
Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 20.1 Single Chain Antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 20.1 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1
著者Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日2012-05-18
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1404 Å)
主引用文献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
4F80
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BU of 4f80 by Molmil
Crystal Structure of the human BTN3A1 ectodomain
分子名称: Butyrophilin subfamily 3 member A1
著者Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日2012-05-16
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献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
4F9P
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Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the 103.2 Single Chain Antibody
分子名称: 103.2 anti-BTN3A1 antibody fragment, Butyrophilin subfamily 3 member A1
著者Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日2012-05-19
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.519 Å)
主引用文献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
4F8Q
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BU of 4f8q by Molmil
Crystal Structure of the Human BTN3A2 Ectodomain
分子名称: Butyrophilin subfamily 3 member A2
著者Palakodeti, A, Sandstrom, A, Sundaresan, L, Harly, C, Nedellec, S, Olive, D, Scotet, E, Bonneville, M, Adams, E.J.
登録日2012-05-17
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3789 Å)
主引用文献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
4F7I
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BU of 4f7i by Molmil
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus in complex with IPM, Mn and NADH
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ...
著者Pallo, A, Graczer, E, Zavodszky, P, Weiss, M.S, Vas, M.
登録日2012-05-16
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and energetic basis of isopropylmalate dehydrogenase enzyme catalysis.
Febs J., 281, 2014
2GC8
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BU of 2gc8 by Molmil
Structure of a Proline Sulfonamide Inhibitor Bound to HCV NS5b Polymerase
分子名称: 1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE, RNA-directed RNA polymerase
著者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.
登録日2006-03-13
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
7R70
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BU of 7r70 by Molmil
Crystal Structure of the UbArk2C fusion protein
分子名称: GLYCEROL, Ubiquitin,E3 ubiquitin-protein ligase RNF165, ZINC ION
著者Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L.
登録日2021-06-24
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
7R71
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Crystal Structure of the UbArk2C-UbcH5b~Ub complex
分子名称: Ubiquitin, Ubiquitin,E3 ubiquitin-protein ligase RNF165, Ubiquitin-conjugating enzyme E2 D2, ...
著者Paluda, A, Middleton, A.J, Mace, P.D, Day, C.L.
登録日2021-06-24
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ubiquitin and a charged loop regulate the ubiquitin E3 ligase activity of Ark2C.
Nat Commun, 13, 2022
3BM9
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BU of 3bm9 by Molmil
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90
分子名称: 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者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.
登録日2007-12-12
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
2VNF
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MOLECULAR BASIS OF HISTONE H3K4ME3 RECOGNITION BY ING4
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, HISTONE H3, ...
著者Palacios, A, Munoz, I.G, Pantoja-Uceda, D, Marcaida, M.J, Torres, D, Martin-Garcia, J.M, Luque, I, Montoya, G, Blanco, F.J.
登録日2008-02-04
公開日2008-04-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Molecular Basis of Histone H3K4Me3 Recognition by Ing4
J.Biol.Chem., 283, 2008
4FUL
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BU of 4ful by Molmil
PI3 Kinase Gamma bound to a pyrmidine inhibitor
分子名称: 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K.
登録日2012-06-28
公開日2012-10-17
最終更新日2012-10-31
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ARI
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BU of 4ari by Molmil
Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole AN2679 in the editing conformation
分子名称: GLYCEROL, LEUCINE--TRNA LIGASE, MAGNESIUM ION, ...
著者Palencia, A, Crepin, T, Vu, M.T, Lincecum Jr, T.L, Martinis, S.A, Cusack, S.
登録日2012-04-24
公開日2012-06-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural Dynamics of the Aminoacylation and Proofreading Functional Cycle of Bacterial Leucyl-tRNA Synthetase
Nat.Struct.Mol.Biol., 19, 2012

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