2Y8R
 
 | | Crystal structure of apo AMA1 mutant (Tyr230Ala) from Toxoplasma gondii | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APICAL MEMBRANE ANTIGEN, PUTATIVE | | 著者 | Tonkin, M.L, Roques, M, Lamarque, M.H, Pugniere, M, Douguet, D, Crawford, J, Lebrun, M, Boulanger, M.J. | | 登録日 | 2011-02-10 | | 公開日 | 2011-08-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Host Cell Invasion by Apicomplexan Parasites: Insights from the Co-Structure of Ama1 with a Ron2 Peptide
Science, 333, 2011
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2Y8T
 | | Co-structure of AMA1 with a surface exposed region of RON2 from Toxoplasma gondii | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APICAL MEMBRANE ANTIGEN, PUTATIVE, ... | | 著者 | Tonkin, M.L, Roques, M, Lamarque, M.H, Pugniere, M, Douguet, D, Crawford, J, Lebrun, M, Boulanger, M.J. | | 登録日 | 2011-02-10 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Host Cell Invasion by Apicomplexan Parasites: Insights from the Co-Structure of Ama1 with a Ron2 Peptide
Science, 333, 2011
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3TKT
 | | Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444 | | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z. | | 登録日 | 2011-08-29 | | 公開日 | 2012-02-29 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
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1ZAF
 | | Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one | | 分子名称: | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE, Estrogen receptor beta, Nuclear receptor coactivator 1 | | 著者 | McDevitt, R.E, Malamas, M.S, Manas, E.S, Unwalla, R.J, Xu, Z.B, Miller, C.P, Harris, H.A. | | 登録日 | 2005-04-06 | | 公開日 | 2006-04-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones
Bioorg.Med.Chem.Lett., 15, 2005
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1M13
 | | Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort | | 分子名称: | 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE, Orphan Nuclear Receptor PXR | | 著者 | Watkins, R.E, Maglich, J.M, Moore, L.B, Wisely, G.B, Noble, S.M, Davis-Searles, P.R, Lambert, M.H, Kliewer, S.A, Redinbo, M.R. | | 登録日 | 2002-06-17 | | 公開日 | 2003-03-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin
Biochemistry, 42, 2003
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2Y8S
 | | Co-structure of an AMA1 mutant (Y230A) with a surface exposed region of RON2 from Toxoplasma gondii | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APICAL MEMBRANE ANTIGEN, PUTATIVE, ... | | 著者 | Tonkin, M.L, Roques, M, Lamarque, M.H, Pugniere, M, Douguet, D, Crawford, J, Lebrun, M, Boulanger, M.J. | | 登録日 | 2011-02-10 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Host Cell Invasion by Apicomplexan Parasites: Insights from the Co-Structure of Ama1 with a Ron2 Peptide
Science, 333, 2011
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1ZS9
 | | Crystal structure of human enolase-phosphatase E1 | | 分子名称: | E-1 ENZYME, MAGNESIUM ION | | 著者 | Wang, H, Pang, H, Bartlam, M, Rao, Z. | | 登録日 | 2005-05-23 | | 公開日 | 2005-06-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of Human E1 Enzyme and its Complex with a Substrate Analog Reveals the Mechanism of its Phosphatase/Enolase
J.Mol.Biol., 348, 2005
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2P54
 | | a crystal structure of PPAR alpha bound with SRC1 peptide and GW735 | | 分子名称: | 2-METHYL-2-(4-{[({4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL}CARBONYL)AMINO]METHYL}PHENOXY)PROPANOIC ACID, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | | 著者 | Xu, R.X, Xu, H.E, Sierra, M.L, Montana, V.G, Lambert, M.H, Pianetti, P.M. | | 登録日 | 2007-03-14 | | 公開日 | 2007-04-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPAR Agonists. 1.Discovery of a Novel Series of Potent HDLc Raising Agents.
J.Med.Chem., 50, 2007
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2Q6G
 | | Crystal structure of SARS-CoV main protease H41A mutant in complex with an N-terminal substrate | | 分子名称: | Polypeptide chain, severe acute respiratory syndrome coronavirus (SARS-CoV) | | 著者 | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | | 登録日 | 2007-06-05 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
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6LLN
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6BOS
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6BOU
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2GNC
 | | Crystal structure of srGAP1 SH3 domain in the slit-robo signaling pathway | | 分子名称: | SLIT-ROBO Rho GTPase-activating protein 1 | | 著者 | Li, X, Liu, Y, Gao, F, Bartlam, M, Wu, J.Y, Rao, Z. | | 登録日 | 2006-04-10 | | 公開日 | 2006-07-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis of Robo Proline-rich Motif Recognition by the srGAP1 Src Homology 3 Domain in the Slit-Robo Signaling Pathway
J.Biol.Chem., 281, 2006
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6IN8
 | | Crystal structure of MucB | | 分子名称: | Sigma factor AlgU regulatory protein MucB | | 著者 | Li, S, Zhang, Q, Bartlam, M. | | 登録日 | 2018-10-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
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6BOV
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6BOQ
 | | Human APE1 substrate complex with an A/A mismatch adjacent the THF | | 分子名称: | 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase | | 著者 | Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. | | 登録日 | 2017-11-20 | | 公開日 | 2018-08-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
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2Q6D
 | | Crystal structure of infectious bronchitis virus (IBV) main protease | | 分子名称: | Infectious bronchitis virus (IBV) main protease | | 著者 | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | | 登録日 | 2007-06-04 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
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6BOT
 | | Human APE1 substrate complex with an C/C mismatch adjacent the THF | | 分子名称: | 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase | | 著者 | Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. | | 登録日 | 2017-11-20 | | 公開日 | 2018-08-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
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6BOW
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2QHY
 | | Crystal Structure of protease inhibitor, MIT-1-AC86 in complex with wild type HIV-1 protease | | 分子名称: | ACETATE ION, N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE, PHOSPHATE ION, ... | | 著者 | Schiffer, C.A, Nalam, M.N.L. | | 登録日 | 2007-07-03 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
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4CBT
 | | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | | 分子名称: | (1R,2R,3R)-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, ZINC ION | | 著者 | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | | 登録日 | 2013-10-16 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | | 主引用文献 | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
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4CBY
 | | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | | 分子名称: | (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | | 著者 | Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C. | | 登録日 | 2013-10-17 | | 公開日 | 2013-12-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
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1SR7
 | | Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate | | 分子名称: | GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ... | | 著者 | Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P. | | 登録日 | 2004-03-22 | | 公開日 | 2004-06-22 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
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1SQN
 | | Progesterone Receptor Ligand Binding Domain with bound Norethindrone | | 分子名称: | (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one, progesterone receptor | | 著者 | Williams, S.P, Madauss, K.P, Deng, J.-S, Austin, R.J.H, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J. | | 登録日 | 2004-03-19 | | 公開日 | 2004-07-27 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.451 Å) | | 主引用文献 | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
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2DZD
 | | Crystal structure of the biotin carboxylase domain of pyruvate carboxylase | | 分子名称: | pyruvate carboxylase | | 著者 | Kondo, S, Nakajima, Y, Sugio, S, Sueda, S, Islam, M.N, Kondo, H. | | 登録日 | 2006-09-27 | | 公開日 | 2007-09-25 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure of the biotin carboxylase domain of pyruvate carboxylase from Bacillus thermodenitrificans
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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