3RTP
 
 | | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration | | 分子名称: | Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide | | 著者 | Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I. | | 登録日 | 2011-05-03 | | 公開日 | 2013-05-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
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6J2S
 | | Structure of HitA bound to gallium from Pseudomonas aeruginosa | | 分子名称: | Ferric iron-binding periplasmic protein, GALLIUM (III) ION, PHOSPHATE ION | | 著者 | Guo, Y, Li, H.Y, Sun, H.Z, Xia, W. | | 登録日 | 2019-01-02 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.73005116 Å) | | 主引用文献 | Identification and Characterization of a Metalloprotein Involved in Gallium Internalization in Pseudomonas aeruginosa.
Acs Infect Dis., 5, 2019
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6J9R
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3SLB
 | | Crystal structure of BA2930 in complex with AcCoA and cytosine | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-AMINOPYRIMIDIN-2(1H)-ONE, ... | | 著者 | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2011-06-24 | | 公開日 | 2011-07-06 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of BA2930 in complex with AcCoA and cytosine
TO BE PUBLISHED
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3SLF
 | | Crystal structure of BA2930 in complex with AcCoA and uracil | | 分子名称: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ... | | 著者 | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2011-06-24 | | 公開日 | 2011-07-20 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structure of BA2930 in complex with AcCoA and uracil
TO BE PUBLISHED
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6IPB
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4L7H
 | | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE-1) | | 分子名称: | 2-[(3aR,7aR)-2-amino-7a-(2,4-difluorophenyl)-3a,6,7,7a-tetrahydro[1,3]oxazolo[5,4-c]pyridin-5(4H)-yl]pyridine-3-carbonitrile, ACETATE ION, Beta-secretase 1, ... | | 著者 | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | | 登録日 | 2013-06-13 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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2OZE
 | | The Crystal structure of Delta protein of pSM19035 from Streptoccocus pyogenes | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Orf delta', ... | | 著者 | Cicek, A, Weihofen, W, Saenger, W. | | 登録日 | 2007-02-26 | | 公開日 | 2008-03-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Streptococcus pyogenes pSM19035 requires dynamic assembly of ATP-bound ParA and ParB on parS DNA during plasmid segregation.
Nucleic Acids Res., 36, 2008
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3ZUO
 | | OMCI in complex with leukotriene B4 | | 分子名称: | COMPLEMENT INHIBITOR, LEUKOTRIENE B4 | | 著者 | Roversi, P, Maillet, I, Togbe, D, Couillin, I, Quesniaux, V.F.J, Teixeira, M, Ahmat, N, Lissina, O, Boland, W, Ploss, K, Caesar, J.J.E, Leonhartsberger, S, Ryffel, B, Lea, S.M, Nunn, M.A. | | 登録日 | 2011-07-19 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
J.Biol.Chem., 288, 2013
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7U29
 | | Structure of SARS-CoV-2 Mpro mutant (K90R) in complex with Nirmatrelvir (PF-07321332) | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | 登録日 | 2022-02-23 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-06-15 | | 実験手法 | X-RAY DIFFRACTION (2.088 Å) | | 主引用文献 | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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7U28
 | | Structure of SARS-CoV-2 Mpro Lambda (G15S) in complex with Nirmatrelvir (PF-07321332) | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | | 登録日 | 2022-02-23 | | 公開日 | 2022-03-09 | | 最終更新日 | 2022-06-15 | | 実験手法 | X-RAY DIFFRACTION (1.679 Å) | | 主引用文献 | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants.
J.Biol.Chem., 298, 2022
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3ZUI
 | | OMCI in complex with palmitoleic acid | | 分子名称: | COMPLEMENT INHIBITOR, PALMITOLEIC ACID | | 著者 | Roversi, P, Maillet, I, Togbe, D, Couillin, I, Quesniaux, V.F.J, Teixeira, M, Ahmat, N, Lissina, O, Boland, W, Ploss, K, Caesar, J.J.E, Leonhartsberger, S, Ryffel, B, Lea, S.M, Nunn, M.A. | | 登録日 | 2011-07-19 | | 公開日 | 2012-08-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
J.Biol.Chem., 288, 2013
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2OLP
 | | Structure and ligand selection of hemoglobin II from Lucina pectinata | | 分子名称: | Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Gavira, J.A, Camara-Artigas, A, de Jesus, W, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | 登録日 | 2007-01-19 | | 公開日 | 2007-12-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.932 Å) | | 主引用文献 | Structure and Ligand Selection of Hemoglobin II from Lucina pectinata
J.Biol.Chem., 283, 2008
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4L7G
 | | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxy-benzylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against Beta-Secretase-1 (BACE1) | | 分子名称: | (3aS,7aR)-7a-[3-(pyrimidin-5-yl)phenyl]-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE | | 著者 | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H, Wang, W, Yu, C, Wu, P, Smith, D, Vigers, G, Dutcher, D, Geck Do, M.K, Hunt, K.W, Siu, M. | | 登録日 | 2013-06-13 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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4LC7
 | | Aminooxazoline inhibitor of BACE-1 | | 分子名称: | (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, Beta-Secretase-1, NICKEL (II) ION | | 著者 | Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wu, C, Wang, W, Smith, D, Vigers, G.P.A, Dutcher, D, Hunt, K.W, Siu, M. | | 登録日 | 2013-06-21 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
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1FGM
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7TUZ
 | | Cryo-EM structure of 7alpha,25-dihydroxycholesterol-bound EBI2/GPR183 in complex with Gi protein | | 分子名称: | (2S,4aS,4bS,7R,8S,8aS,9R,10aR)-7-[(2R,3R)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol, G-protein coupled receptor 183, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Chen, H, Hung, W, Li, X. | | 登録日 | 2022-02-03 | | 公開日 | 2022-04-13 | | 最終更新日 | 2022-07-20 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response.
Structure, 30, 2022
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1DAD
 | | DETHIOBIOTIN SYNTHETASE COMPLEXED WITH ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DETHIOBIOTIN SYNTHETASE | | 著者 | Huang, W, Jia, J, Schneider, G, Lindqvist, Y. | | 登録日 | 1995-05-08 | | 公開日 | 1996-06-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mechanism of an ATP-dependent carboxylase, dethiobiotin synthetase, based on crystallographic studies of complexes with substrates and a reaction intermediate.
Biochemistry, 34, 1995
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5J7A
 | | Bacteriorhodopsin ground state structure obtained with Serial Femtosecond Crystallography | | 分子名称: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | | 著者 | Nogly, P, Panneels, V, Nelson, G, Gati, C, Kimura, T, Milne, C, Milathianaki, D, Kubo, M, Wu, W, Conrad, C, Coe, J, Bean, R, Zhao, Y, Bath, P, Dods, R, Harimoorthy, R, Beyerlein, K.R, Rheinberger, J, James, D, DePonte, D, Li, C, Sala, L, Williams, G, Hunter, M, Koglin, J.E, Berntsen, P, Nango, E, Iwata, S, Chapman, H.N, Fromme, P, Frank, M, Abela, R, Boutet, S, Barty, A, White, T.A, Weierstall, U, Spence, J, Neutze, R, Schertler, G, Standfuss, J. | | 登録日 | 2016-04-06 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography.
Nat Commun, 7, 2016
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3SZ5
 | | Crystal Structure of LHK-Exo in complex with 5-phosphorylated oligothymidine (dT)4 | | 分子名称: | 5'-D(P*TP*TP*TP*T)-3', Exonuclease, MAGNESIUM ION | | 著者 | Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z. | | 登録日 | 2011-07-18 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
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3SYY
 | | Crystal Structure of an alkaline exonuclease (LHK-Exo) from Laribacter hongkongensis | | 分子名称: | Exonuclease, MAGNESIUM ION | | 著者 | Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z. | | 登録日 | 2011-07-18 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
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3SZ4
 | | Crystal Structure of LHK-Exo in complex with dAMP | | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Exonuclease, MAGNESIUM ION | | 著者 | Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z. | | 登録日 | 2011-07-18 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis.
Nucleic Acids Res., 39, 2011
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8JED
 | | Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors | | 分子名称: | mRNA-capping enzyme regulatory subunit OPG124 | | 著者 | Wang, D, Zhao, R, Shu, W, Hu, W, Wang, M, Cao, J, Zhou, X. | | 登録日 | 2023-05-15 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors.
Int.J.Biol.Macromol., 253, 2023
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3SX0
 | | Crystal structure of Dot1l in complex with a brominated SAH analog | | 分子名称: | (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name), Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | 著者 | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2011-07-14 | | 公開日 | 2011-07-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.
Bioorg. Med. Chem., 21, 2013
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421P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | 分子名称: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | 著者 | Krengel, U, John, J, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | 登録日 | 1991-06-06 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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