1MZK
 
 | | NMR structure of kinase-interacting FHA domain of kinase associated protein phosphatase, KAPP in Arabidopsis | | 分子名称: | KINASE ASSOCIATED PROTEIN PHOSPHATASE | | 著者 | Lee, G, Ding, Z, Walker, J.C, Van Doren, S.R. | | 登録日 | 2002-10-08 | | 公開日 | 2003-09-09 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR Structure of the forkhead-associated domain from the Arabidopsis receptor kinase-associated protein phosphatase.
Proc.Natl.Acad.Sci.USA, 100, 2003
|
|
2AX0
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5x) | | 分子名称: | 5R-(2E-METHYL-3-PHENYL-ALLYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | 登録日 | 2005-09-02 | | 公開日 | 2006-01-24 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
|
|
2AWZ
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5h) | | 分子名称: | 5R-(4-BROMOPHENYLMETHYL)-3-(BENZENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | 登録日 | 2005-09-02 | | 公開日 | 2006-01-24 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
|
|
2AX1
 | | Hepatitis C Virus NS5b RNA Polymerase in complex with a covalent inhibitor (5ee) | | 分子名称: | 5R-(3,4-DICHLOROPHENYLMETHYL)-3-(2-THIOPHENESULFONYLAMINO)-4-OXO-2-THIONOTHIAZOLIDINE, Genome polyprotein, SULFATE ION | | 著者 | Powers, J.P, Piper, D.E, Li, Y, Mayorga, V, Anzola, J, Chen, J.M, Jaen, J.C, Lee, G, Liu, J, Peterson, M.G, Tonn, G.R, Ye, Q, Walker, N.P, Wang, Z. | | 登録日 | 2005-09-02 | | 公開日 | 2006-01-24 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | SAR and Mode of Action of Novel Non-Nucleoside Inhibitors of Hepatitis C NS5b RNA Polymerase.
J.Med.Chem., 49, 2006
|
|
7KC5
 | | X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K | | 分子名称: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, MAGNESIUM ION | | 著者 | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | | 登録日 | 2020-10-05 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
|
|
7KC3
 | | X-ray structure of Lfa-1 I domain collected at 273 K | | 分子名称: | Integrin alpha-L, MAGNESIUM ION | | 著者 | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | | 登録日 | 2020-10-05 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
|
|
7KC6
 | | X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K | | 分子名称: | Integrin alpha-L, LOVASTATIN, MAGNESIUM ION | | 著者 | Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S. | | 登録日 | 2020-10-05 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
|
|
7VZM
 | | Anti-CRISPR AcrIE4-F7 | | 分子名称: | AcrIE4-F7 | | 著者 | Hong, S.H, Lee, G, Bae, E, Suh, J.Y. | | 登録日 | 2021-11-16 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The structure of AcrIE4-F7 reveals a common strategy for dual CRISPR inhibition by targeting PAM recognition sites.
Nucleic Acids Res., 50, 2022
|
|
1H1B
 | | Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151) | | 分子名称: | (2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID, LEUKOCYTE ELASTASE, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Macdonald, S.J.F, Dowle, M.D, Harrison, L.A, Clarke, G.D.E, Inglis, G.G.A, Johnson, M.R, Smith, R.A, Amour, A, Fleetwood, G, Humphreys, D.C, Molloy, C.R, Dixon, M, Godward, R.E, Wonacott, A.J, Singh, O.M.P, Hodgson, S.T, Hardy, G.W. | | 登録日 | 2002-07-05 | | 公開日 | 2002-08-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Further Pyrrolidine Trans-Lactams as Inhibitors of Human Neutrophil Elastase (Hne) with Potential as Development Candidates and the Crystal Structure of Hne Complexed with an Inhibitor (Gw475151)
J.Med.Chem., 45, 2002
|
|
7S4G
 | | Fab fragment bound to the Cter peptide of Ly6G6D | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ... | | 著者 | Rouge, L, Lupardus, P. | | 登録日 | 2021-09-08 | | 公開日 | 2022-04-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
|
|
4WAE
 | |
4WAG
 | |
6KVX
 | | Crystal structure of the N-terminal domain single mutant (D119A) of the human mitochondrial calcium uniporter fused with T4 lysozyme | | 分子名称: | Endolysin,Calcium uniporter protein, mitochondrial, SULFATE ION | | 著者 | Lee, Y, Park, J, Lee, G, Yoon, S, Min, C.K, Kim, T.G, Yamamoto, T, Kim, D.H, Lee, K.W, Eom, S.H. | | 登録日 | 2019-09-05 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal structure of the N-terminal domain single mutant (D119A) of the human mitochondrial calcium uniporter fused with T4 lysozyme
Sci Rep, 2020
|
|
4WV1
 | |
4TT4
 | | Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide | | 分子名称: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ... | | 著者 | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | 登録日 | 2014-06-19 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
|
|
4TT2
 | | Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide | | 分子名称: | ATPase family AAA domain-containing protein 2, Histone H4K5Ac | | 著者 | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | 登録日 | 2014-06-19 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
|
|
4TU6
 | | Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation | | 分子名称: | ATPase family AAA domain-containing protein 2, SULFATE ION | | 著者 | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | 登録日 | 2014-06-23 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
|
|
4TU4
 | | Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid | | 分子名称: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | | 著者 | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | 登録日 | 2014-06-23 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
|
|
4TT6
 | | Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form | | 分子名称: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... | | 著者 | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | 登録日 | 2014-06-19 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
|
|
4TTE
 | | Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate | | 分子名称: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ... | | 著者 | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | 登録日 | 2014-06-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
|
|
8VB1
 | | Crystal structure of HIV-1 protease with GS-9770 | | 分子名称: | (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease | | 著者 | Lansdon, E.B. | | 登録日 | 2023-12-11 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability.
Antimicrob.Agents Chemother., 68, 2024
|
|
5Y3N
 | | Structure of TRAP1 complexed with DN401 | | 分子名称: | 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | | 著者 | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | | 登録日 | 2017-07-29 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
|
|
5Y3O
 | | Structure of TRAP1 complexed with DN320 | | 分子名称: | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial | | 著者 | Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C. | | 登録日 | 2017-07-29 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
|
|
3NQW
 | | A metazoan ortholog of SpoT hydrolyzes ppGpp and plays a role in starvation responses | | 分子名称: | CG11900, MANGANESE (II) ION, SULFATE ION | | 著者 | Sun, D.W, Kim, H.Y, Kim, K.J, Jeon, Y.H, Chung, J. | | 登録日 | 2010-06-30 | | 公開日 | 2010-09-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | A metazoan ortholog of SpoT hydrolyzes ppGpp and functions in starvation responses
Nat.Struct.Mol.Biol., 17, 2010
|
|
6WML
 | | Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod) | | 分子名称: | (2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | | 著者 | Appleby, T.C, Perry, J.K, Mish, M, Villasenor, A.G, Mackman, R.L. | | 登録日 | 2020-04-21 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.
J.Med.Chem., 63, 2020
|
|
