3AXD
 
 | | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in apo-form | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase, CALCIUM ION | | 著者 | Huang, J.W, Cheng, Y.S, Ko, T.P, Lin, C.Y, Lai, H.L, Chen, C.C, Ma, Y, Huang, C.H, Zheng, Y, Liu, J.R, Guo, R.T. | | 登録日 | 2011-04-03 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Rational design to improve thermostability and specific activity of the truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase
Appl.Microbiol.Biotechnol., 94, 2012
|
|
5TF8
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP | | 分子名称: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.861 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
5TFJ
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
5T7F
 | | PI3Kdelta in complex with the inhibitor GS-643624 | | 分子名称: | 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Somoza, J.R, Villasenor, A. | | 登録日 | 2016-09-04 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
|
|
5TBT
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with Cytidine | | 分子名称: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, Purine nucleoside phosphorylase, SULFATE ION | | 著者 | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | | 登録日 | 2016-09-13 | | 公開日 | 2017-10-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
|
|
5TBU
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with Hypoxanthine | | 分子名称: | DIMETHYL SULFOXIDE, HYPOXANTHINE, Purine nucleoside phosphorylase | | 著者 | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | | 登録日 | 2016-09-13 | | 公開日 | 2017-10-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
|
|
5TF7
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.931 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
5TFF
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP | | 分子名称: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
5TGK
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-28 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.912 Å) | | 主引用文献 | Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
J. Biol. Chem., 2018
|
|
3AMD
 | | Crystal structures of Thermotoga maritima Cel5A, apo form and tetramer/au | | 分子名称: | Endoglucanase | | 著者 | Wu, T.H, Huang, C.H, Ko, T.P, Lai, H.L, Ma, Y, Cheng, Y.S, Liu, J.R, Guo, R.T. | | 登録日 | 2010-08-19 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Diverse substrate recognition mechanism revealed by Thermotoga maritima Cel5A structures in complex with cellotetraose, cellobiose and mannotriose
Biochim.Biophys.Acta, 1814, 2011
|
|
5TBS
 | | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with adenine | | 分子名称: | ADENINE, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | 著者 | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | | 登録日 | 2016-09-13 | | 公開日 | 2017-10-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs.
PLoS ONE, 13, 2018
|
|
5T6K
 | | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X | | 分子名称: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | | 著者 | Jiang, D.Q, Tempel, W, Walker, J.R, El Bakkouri, M, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-01 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of CDPK1 from toxoplasma gondii complexed with SGC-1-19
to be published
|
|
5T8I
 | | PI3Kdelta in complex with the inhibitor GS-9901 | | 分子名称: | 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Somoza, J.R, Villasenor, A. | | 登録日 | 2016-09-07 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
|
|
3B7X
 | | Crystal structure of human FK506-Binding Protein 6 | | 分子名称: | FK506-binding protein 6 | | 著者 | Walker, J.R, Davis, T, Butler-Cole, C, Paramanathan, R, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | 登録日 | 2007-10-31 | | 公開日 | 2007-11-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Human FK506-Binding Protein 6.
To be Published
|
|
3BAK
 | | N298S mutant of Human Pancreatic Alpha-Amylase in complex with nitrate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRATE ION, ... | | 著者 | Fredriksen, J.R, Maurus, R, Brayer, G.D. | | 登録日 | 2007-11-08 | | 公開日 | 2008-03-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
|
|
5TCM
 | | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536 | | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein | | 著者 | Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-15 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536
To be published
|
|
5TF2
 | | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN | | 分子名称: | Prolactin regulatory element-binding protein, UNKNOWN ATOM OR ION | | 著者 | Walker, J.R, Zhang, Q, Dong, A, Wernimont, A, Li, Y, He, H, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Chen, Z, Tong, Y, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-23 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN (CASP target)
To be published
|
|
5TFC
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP | | 分子名称: | Cystic fibrosis transmembrane conductance regulator, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
2Y80
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | | 分子名称: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | 著者 | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | | 登録日 | 2011-02-02 | | 公開日 | 2011-03-16 | | 最終更新日 | 2019-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
5TFD
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP | | 分子名称: | CYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
5TCK
 | | Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine | | 分子名称: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromosporine, ... | | 著者 | Lin, L.-H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2016-09-15 | | 公開日 | 2016-11-09 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Second Bromodomain from Leishmania donovani LdBPK.091320 complexed with Bromosporine
To Be Published
|
|
5TKR
 | | Crystal structure of a Lipomyces starkeyi levoglucosan kinase G359R mutant | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, MAGNESIUM ION, ... | | 著者 | Bacik, J.P, Klesmith, J.R, Michalczyk, R, Whitehead, T.A. | | 登録日 | 2016-10-07 | | 公開日 | 2017-02-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Trade-offs between enzyme fitness and solubility illuminated by deep mutational scanning.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
3BAY
 | | N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, ... | | 著者 | Fredriksen, J.R, Maurus, R, Brayer, G.D. | | 登録日 | 2007-11-08 | | 公開日 | 2008-03-25 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
|
|
5TFB
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP | | 分子名称: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-24 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
5TFI
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP | | 分子名称: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | 著者 | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | 登録日 | 2016-09-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.891 Å) | | 主引用文献 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
|
|
