6URW
 
 | | Crystal structure of ricin A chain in complex with inhibitor 4-(2-thienylmethyl)benzoic acid | | 分子名称: | 1,2-ETHANEDIOL, 4-[(thiophen-2-yl)methyl]benzoic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Harijan, R.K, Li, X.P, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | | 登録日 | 2019-10-24 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes.
Acs Infect Dis., 6, 2020
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6URX
 | | Crystal structure of ricin A chain in complex with inhibitor 5-phenyl-2-thiophenecarboxylic acid | | 分子名称: | 1,2-ETHANEDIOL, 5-phenylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Harijan, R.K, Li, X.P, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | | 登録日 | 2019-10-24 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes.
Acs Infect Dis., 6, 2020
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1XBA
 | | Crystal structure of apo syk tyrosine kinase domain | | 分子名称: | Tyrosine-protein kinase SYK | | 著者 | Atwell, S, Adams, J.M, Badger, J, Buchanan, M.D, Feil, I.K, Froning, K.J, Gao, X, Hendle, J, Keegan, K, Leon, B.C, Muller-Deickmann, H.J, Nienaber, V.L, Noland, B.W, Post, K, Rajashankar, K.R, Ramos, A, Russell, M, Burley, S.K, Buchanan, S.G. | | 登録日 | 2004-08-30 | | 公開日 | 2004-11-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase.
J.Biol.Chem., 279, 2004
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1XBB
 | | Crystal structure of the syk tyrosine kinase domain with Gleevec | | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Tyrosine-protein kinase SYK | | 著者 | Nienaber, V.L, Atwell, S, Adams, J.M, Badger, J, Buchanan, M.D, Feil, I.K, Froning, K.J, Gao, X, Hendle, J, Keegan, K, Leon, B.C, Muller-Deickmann, H.J, Noland, B.W, Post, K, Rajashankar, K.R, Ramos, A, Russell, M, Burley, S.K, Buchanan, S.G. | | 登録日 | 2004-08-30 | | 公開日 | 2004-11-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | A Novel Mode of Gleevec Binding Is Revealed by the Structure of Spleen Tyrosine Kinase
J.Biol.Chem., 279, 2004
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7L1U
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | | 分子名称: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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7L1V
 | | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | | 分子名称: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | | 登録日 | 2020-12-15 | | 公開日 | 2021-02-10 | | 最終更新日 | 2021-02-17 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
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7L1A
 | | Human Methionine Adenosyltransferase 2A bound to Methylthioadenosine and inhibitor, di-imido triphosphate (PNPNP) | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ALANINE, MAGNESIUM ION, ... | | 著者 | Niland, C.N, Fedorov, E, Schramm, V.L, Ghosh, A. | | 登録日 | 2020-12-14 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Mechanism and Inhibition of Human Methionine Adenosyltransferase 2A.
Biochemistry, 60, 2021
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1ZOS
 | | Structure of 5'-methylthionadenosine/S-Adenosylhomocysteine nucleosidase from S. pneumoniae with a transition-state inhibitor MT-ImmA | | 分子名称: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase | | 著者 | Shi, W, Singh, V, Zhen, R, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | | 登録日 | 2005-05-13 | | 公開日 | 2006-04-25 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure and inhibition of a quorum sensing target from Streptococcus pneumoniae.
Biochemistry, 45, 2006
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4QAS
 | | 1.27 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis | | 分子名称: | CT263, SULFATE ION | | 著者 | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | 登録日 | 2014-05-05 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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2MTQ
 | | Solution Structure of a De Novo Designed Peptide that Sequesters Toxic Heavy Metals | | 分子名称: | Designed Peptide | | 著者 | Plegaria, J.S, Zuiderweg, E.R, Stemmler, T.L, Pecoraro, V.L. | | 登録日 | 2014-08-28 | | 公開日 | 2015-04-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, alpha 3DIV, that Sequesters Toxic Heavy Metals.
Biochemistry, 54, 2015
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4QAQ
 | | 1.58 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis | | 分子名称: | CT263, SULFATE ION | | 著者 | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | 登録日 | 2014-05-05 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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1YT4
 | | Crystal structure of TEM-76 beta-lactamase at 1.4 Angstrom resolution | | 分子名称: | Beta-lactamase TEM | | 著者 | Thomas, V.L, Golemi-Kotra, D, Kim, C, Vakulenko, S.B, Mobashery, S, Shoichet, B.K. | | 登録日 | 2005-02-09 | | 公開日 | 2005-07-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Consequences of the Inhibitor-Resistant Ser130Gly Substitution in TEM beta-Lactamase.
Biochemistry, 44, 2005
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4QE8
 | | FXR with DM175 and NCoA-2 peptide | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ... | | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H. | | 登録日 | 2014-05-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | FXR with DM175 and NCoA-2 peptide
To be Published
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4QFB
 | | 1.99 A resolution structure of SeMet-CT263 (MTAN) from Chlamydia trachomatis | | 分子名称: | CT263 | | 著者 | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | 登録日 | 2014-05-20 | | 公開日 | 2014-10-01 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.986 Å) | | 主引用文献 | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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1ZSQ
 | | Crystal Structure of MTMR2 in complex with phosphatidylinositol 3-phosphate | | 分子名称: | 1,2-ETHANEDIOL, 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, Myotubularin-related protein 2 | | 著者 | Begley, M.J, Taylor, G.S, Brock, M.A, Ghosh, P, Woods, V.L, Dixon, J.E. | | 登録日 | 2005-05-25 | | 公開日 | 2006-01-31 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Molecular basis for substrate recognition by MTMR2, a myotubularin family phosphoinositide phosphatase
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4QAT
 | | 1.75 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis bound to MTA | | 分子名称: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CT263 | | 著者 | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | 登録日 | 2014-05-05 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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1ZVR
 | | Crystal Structure of MTMR2 in complex with phosphatidylinositol 3,5-bisphosphate | | 分子名称: | (1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDROXY{[(2R,3S,5R,6S)-2,4,6-TRIHYDROXY-3,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTYRATE, 1,2-ETHANEDIOL, Myotubularin-related protein 2 | | 著者 | Begley, M.J, Taylor, G.S, Brock, M.A, Ghosh, P, Woods, V.L, Dixon, J.E. | | 登録日 | 2005-06-02 | | 公開日 | 2006-01-31 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Molecular basis for substrate recognition by MTMR2, a myotubularin family phosphoinositide phosphatase
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4QAR
 | | 1.45 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis bound to Adenine | | 分子名称: | ADENINE, CT263, SULFATE ION | | 著者 | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | | 登録日 | 2014-05-05 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
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2A0Y
 | | Structure of human purine nucleoside phosphorylase H257D mutant | | 分子名称: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | | 著者 | Murkin, A.S, Shi, W, Schramm, V.L. | | 登録日 | 2005-06-17 | | 公開日 | 2006-06-06 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Neighboring group participation in the transition state of human purine nucleoside phosphorylase.
Biochemistry, 46, 2007
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7LV6
 | | The structure of MalL mutant enzyme S536R from Bacillus subtilis | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | | 著者 | Hamill, C.J, Prentice, E.J, Bahl, C.D, Truebridge, I.S, Arcus, V.L. | | 登録日 | 2021-02-24 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Urea binding to guide rational design of mutations that influence enzyme dynamics
To Be Published
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1ZVM
 | | Crystal structure of human CD38: cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase | | 分子名称: | ADP-ribosyl cyclase 1, SULFATE ION | | 著者 | Shi, W, Yang, T, Almo, S.C, Schramm, V.L, Sauve, A. | | 登録日 | 2005-06-02 | | 公開日 | 2006-06-06 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of human CD38: Cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase
To be Published
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1XBC
 | | Crystal structure of the syk tyrosine kinase domain with Staurosporin | | 分子名称: | STAUROSPORINE, Tyrosine-protein kinase SYK | | 著者 | Badger, J, Atwell, S, Adams, J.M, Buchanan, M.D, Feil, I.K, Froning, K.J, Gao, X, Hendle, J, Keegan, K, Leon, B.C, Muller-Deickmann, H.J, Nienaber, V.L, Noland, B.W, Post, K, Rajashankar, K.R, Ramos, A, Russell, M, Burley, S.K, Buchanan, S.G. | | 登録日 | 2004-08-30 | | 公開日 | 2004-11-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase
J.Biol.Chem., 279, 2004
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4R3C
 | | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | | 分子名称: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | | 著者 | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | 登録日 | 2014-08-14 | | 公開日 | 2015-02-25 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
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7LOU
 | | Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine | | 分子名称: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, Glucosyltransferase TcdB, ... | | 著者 | Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2021-02-10 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues.
Nat Commun, 12, 2021
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7LOV
 | | Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and noeuromycin | | 分子名称: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Harijan, R.K, Paparella, A.S, Aboulache, B.L, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | 登録日 | 2021-02-10 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues.
Nat Commun, 12, 2021
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