8H6P
 
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | | 分子名称: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | 著者 | Ren, X. | | 登録日 | 2022-10-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-03-29 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
|
|
3F7B
 | | Crystal Structure of soluble domain of CA4 in complex with small molecule. | | 分子名称: | Carbonic anhydrase 4, N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide, ZINC ION | | 著者 | Greasley, S.E, Ferre, R.A.A, Pauly, T.A, Paz, R. | | 登録日 | 2008-11-07 | | 公開日 | 2009-09-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
|
|
3FW3
 | | Crystal Structure of soluble domain of CA4 in complex with Dorzolamide | | 分子名称: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 4, SULFATE ION, ... | | 著者 | Greasley, S.E, Ferre, R.A.A, Paz, R, Wickersham, J. | | 登録日 | 2009-01-16 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
|
|
3F7U
 | | Crystal Structure of soluble domain of CA4 in complex with small molecule. | | 分子名称: | Carbonic anhydrase 4, N-(3-methoxypropyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide, ZINC ION | | 著者 | Pauly, T.A, Ferre, R.A.A, Greasley, S.E, Paz, R. | | 登録日 | 2008-11-10 | | 公開日 | 2009-09-22 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
|
|
7C2E
 | | GLP-1R-Gs complex structure with a small molecule full agonist | | 分子名称: | 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Ma, H, Yuan, D.P, Huang, W, Wenge, Z, Xu, E. | | 登録日 | 2020-05-07 | | 公開日 | 2020-08-26 | | 最終更新日 | 2020-12-16 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Structural insights into the activation of GLP-1R by a small molecule agonist.
Cell Res., 30, 2020
|
|
7REP
 | |
7REO
 | |
4NWW
 | |
4NWV
 | |
6M1H
 | | CryoEM structure of human PAC1 receptor in complex with maxadilan | | 分子名称: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | | 登録日 | 2020-02-26 | | 公開日 | 2020-03-11 | | 最終更新日 | 2020-05-27 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
|
|
6M1I
 | | CryoEM structure of human PAC1 receptor in complex with PACAP38 | | 分子名称: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | 著者 | Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y. | | 登録日 | 2020-02-26 | | 公開日 | 2020-03-11 | | 最終更新日 | 2020-05-27 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
|
|
6NIW
 | | Crystal structure of P[6] rotavirus | | 分子名称: | DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein | | 著者 | Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A. | | 登録日 | 2019-01-01 | | 公開日 | 2020-01-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens.
Plos Pathog., 16, 2020
|
|
6OAI
 | | Crystal structure of P[6] rotavirus vp8* complexed with LNFPI | | 分子名称: | Protease-sensitive outer capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Xu, S, Liu, Y, Jiang, X, Kennedy, M.A. | | 登録日 | 2019-03-16 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens.
Plos Pathog., 16, 2020
|
|
6JKI
 | | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Jaroensuk, J, Liew, C.W, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Zhong, W.H, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | | 登録日 | 2019-03-01 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.
Rna, 25, 2019
|
|
3DX1
 | | Golgi alpha-Mannosidase II in complex with Mannostatin analog (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol | | 分子名称: | (1S,2S,3R,4R)-4-aminocyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kuntz, D.A, Rose, D.R. | | 登録日 | 2008-07-23 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
|
|
3DX4
 | | Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol | | 分子名称: | (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kuntz, D.A, Rose, D.R. | | 登録日 | 2008-07-23 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
|
|
3PP7
 | | Crystal structure of Leishmania mexicana pyruvate kinase in complex with the drug suramin, an inhibitor of glycolysis. | | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, GLYCEROL, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2010-11-24 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
|
|
3DX3
 | | Golgi alpha-Mannosidase II in complex with Mannostatin analog (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetraol | | 分子名称: | (1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kuntz, D.A, Rose, D.R. | | 登録日 | 2008-07-23 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
|
|
3DX0
 | | Golgi alpha-Mannosidase II in complex with Mannostatin A at pH 5.75 | | 分子名称: | (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kuntz, D.A, Rose, D.R. | | 登録日 | 2008-07-23 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The molecular basis of inhibition of Golgi alpha-mannosidase II by mannostatin A.
Chembiochem, 10, 2009
|
|
7MWN
 | | An engineered PYL2-based WIN 55,212-2 synthetic cannabinoid sensor with a stabilized HAB1 variant | | 分子名称: | ACETATE ION, Abscisic acid receptor PYL2, CHLORIDE ION, ... | | 著者 | Peterson, F.C, Beltran, J, Bedewitz, M, Steiner, P.J, Cutler, S.R, Whitehead, T.A. | | 登録日 | 2021-05-17 | | 公開日 | 2022-06-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Rapid biosensor development using plant hormone receptors as reprogrammable scaffolds.
Nat.Biotechnol., 40, 2022
|
|
5I04
 | | Crystal structure of the orphan region of human endoglin/CD105 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ... | | 著者 | Saito, T, Bokhove, M, de Sanctis, D, Jovine, L. | | 登録日 | 2016-02-03 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
|
|
3QV7
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with ponceau S and acid blue 25. | | 分子名称: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
|
|
3QV6
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with acid blue 80. | | 分子名称: | 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
|
|
3QV8
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid. | | 分子名称: | 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
|
|
4DUS
 | | Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Sickmier, E.A. | | 登録日 | 2012-02-22 | | 公開日 | 2012-10-10 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
|
|
