3SMO
 
 | | Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin J aglycone | | 分子名称: | 14-3-3 protein sigma, Fusicoccin J aglycone, MAGNESIUM ION, ... | | 著者 | Anders, C, Schumacher, B, Ottmann, C. | | 登録日 | 2011-06-28 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
|
|
3CVD
 | | Regulation of Protein Function: Crystal Packing Interfaces and Conformational Dimerization | | 分子名称: | COPPER (I) ION, Plastocyanin, ZINC ION | | 著者 | Crowley, P.B, Matias, P.M, Mi, H, Firbank, S.J, Banfield, M.J, Dennison, C. | | 登録日 | 2008-04-18 | | 公開日 | 2008-07-08 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Regulation of protein function: crystal packing interfaces and conformational dimerization.
Biochemistry, 47, 2008
|
|
3CIC
 | | Structure of BACE Bound to SCH709583 | | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | 著者 | Strickland, C, Cumming, J. | | 登録日 | 2008-03-11 | | 公開日 | 2008-06-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
|
|
9MQI
 | | Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | 分子名称: | Mu-type opioid receptor, NabFab Heavy Chain, NabFab Light Chain, ... | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
|
|
9MQL
 | | Locally-Refined Inactive Kappa-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | 分子名称: | Kappa-Opioid Receptor, methyl (1S,3R,4S,6S,8M)-2-[(1-ethyl-1H-pyrazol-4-yl)methyl]-8-(3-hydroxyphenyl)-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
|
|
9MQK
 | | Inactive Kappa-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | 分子名称: | Kappa-Opioid Receptor, NabFab Heavy Chain, NabFab Light Chain, ... | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
|
|
5XPY
 | | Structural basis of kindlin-mediated integrin recognition and activation | | 分子名称: | ACETATE ION, Fermitin family homolog 2, GLYCEROL | | 著者 | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | | 登録日 | 2017-06-05 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
9MQJ
 | | Locally-refined Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #020_E1 | | 分子名称: | Mu-type opioid receptor, methyl (1S,3R,4S,6S,8M)-2-[(1-ethyl-1H-pyrazol-4-yl)methyl]-8-(3-hydroxyphenyl)-3,4-dimethyl-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
|
|
9MQH
 | | Inactive Mu-Opioid Receptor with Nb6M, NabFab, and isoquinuclidine compound #33 | | 分子名称: | Mu-type opioid receptor | | 著者 | Kim, J.Y, Vigneron, S.F, Billesbolle, C, Manglik, A, Shoichet, B.K. | | 登録日 | 2025-01-03 | | 公開日 | 2025-02-12 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Docking 14 million virtual isoquinuclidines against the mu and kappa opioid receptors reveals dual antagonists-inverse agonists with reduced withdrawal effects.
Biorxiv, 2025
|
|
5XPZ
 | | Structural basis of kindlin-mediated integrin recognition and activation | | 分子名称: | Fermitin family homolog 2, GLYCEROL | | 著者 | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | | 登録日 | 2017-06-05 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
3S5A
 | | ABH2 cross-linked to undamaged dsDNA-2 with cofactors | | 分子名称: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*CP*AP*CP*TP*GP*TP*CP*G)-3', 5'-D(*TP*CP*GP*AP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', ... | | 著者 | Yi, C, Chen, B, Qi, B, Ramirez, B, Zhang, W, Jia, G, Zhang, L, Li, C.Q, Dinner, A.R, Yang, C.-G, He, C. | | 登録日 | 2011-05-21 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
|
|
3SML
 | | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer Fusicoccin A aglycone | | 分子名称: | 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A aglycone, ... | | 著者 | Anders, C, Schumacher, B, Ottmann, C. | | 登録日 | 2011-06-28 | | 公開日 | 2012-07-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
|
|
3S57
 | | ABH2 cross-linked with undamaged dsDNA-1 containing cofactors | | 分子名称: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', ... | | 著者 | Yi, C, Chen, B, Qi, B, Ramirez, B, Zhang, W, Jia, G, Zhang, L, Li, C.Q, Dinner, A.R, Yang, C.-G, He, C. | | 登録日 | 2011-05-20 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
|
|
3D9Z
 | | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | 分子名称: | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | 登録日 | 2008-05-28 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
|
|
3DCS
 | | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | 分子名称: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | 登録日 | 2008-06-04 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
|
|
3SHI
 | | Crystal structure of human MMP1 catalytic domain at 2.2 A resolution | | 分子名称: | CALCIUM ION, Interstitial collagenase, ZINC ION | | 著者 | Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J. | | 登録日 | 2011-06-16 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The catalytic domain of MMP-1 studied through tagged lanthanides.
Febs Lett., 586, 2012
|
|
3SI8
 | | Human DNA polymerase eta - DNA ternary complex with the 5'T of a CPD in the active site (TT2) | | 分子名称: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, ... | | 著者 | Biertumpfel, C, Zhao, Y, Kondo, Y, Ramon-Maiques, S, Gregory, M, Lee, J.Y, Masutani, C, Lehmann, A.R, Hanaoka, F, Yang, W. | | 登録日 | 2011-06-17 | | 公開日 | 2011-08-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure and mechanism of human DNA polymerase eta.
Nature, 465, 2010
|
|
3DCW
 | | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | | 分子名称: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | | 登録日 | 2008-06-04 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties
Biochemistry, 48, 2009
|
|
5DDG
 | | The structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI in complex with target double strand DNA | | 分子名称: | DNA (27-MER), FORMIC ACID, MALONIC ACID, ... | | 著者 | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2015-08-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
|
|
5DD4
 | | Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, TRANSCRIPTIONAL REGULATOR AraR | | 著者 | Chang, C, Tesar, C, Rodionov, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2015-08-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | A novel transcriptional regulator of L-arabinose utilization in human gut bacteria.
Nucleic Acids Res., 43, 2015
|
|
5XQ0
 | | Structural basis of kindlin-mediated integrin recognition and activation | | 分子名称: | Fermitin family homolog 2,Integrin beta-1, GLYCEROL | | 著者 | Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z. | | 登録日 | 2017-06-05 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
4D6R
 | | crystal structure of human JMJD2D in complex with N-OXALYLGLYCINE and bound o-toluenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, LYSINE-SPECIFIC DEMETHYLASE 4D, N-OXALYLGLYCINE, ... | | 著者 | Krojer, T, Vollmar, M, Bradley, A, Crawley, L, Szykowska, A, Burgess-Brown, N, Gileadi, C, Johansson, C, Oppermann, U, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2014-11-14 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.398 Å) | | 主引用文献 | Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound O-Toluenesulfonamide
To be Published
|
|
3SJR
 | |
5Y36
 | | Cryo-EM structure of SpCas9-sgRNA-DNA ternary complex | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, complementary DNA strand, ... | | 著者 | Huang, Q, Li, G, Huai, C. | | 登録日 | 2017-07-27 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (5.2 Å) | | 主引用文献 | Structural insights into DNA cleavage activation of CRISPR-Cas9 system
Nat Commun, 8, 2017
|
|
5JM6
 | | Structure of Chaetomium thermophilum mApe1 | | 分子名称: | Aminopeptidase-like protein, ZINC ION | | 著者 | Bertipaglia, C, Jakobi, A.J, Wilmanns, M, Sachse, C. | | 登録日 | 2016-04-28 | | 公開日 | 2016-06-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.758 Å) | | 主引用文献 | Higher-order assemblies of oligomeric cargo receptor complexes form the membrane scaffold of the Cvt vesicle.
Embo Rep., 17, 2016
|
|
