1ZML
 
 | | Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine | | 分子名称: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE, BICARBONATE ION, Coagulation factor XI, ... | | 著者 | Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E. | | 登録日 | 2005-05-10 | | 公開日 | 2006-05-09 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.
Bioorg.Med.Chem.Lett., 16, 2006
|
|
1ZPB
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide | | 分子名称: | 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION | | 著者 | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | | 登録日 | 2005-05-16 | | 公開日 | 2006-04-18 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine
Bioorg.Med.Chem.Lett., 16, 2006
|
|
3QF0
 | | Crystal structure of the mutant T159V,Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP | | 分子名称: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | | 著者 | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | | 登録日 | 2011-01-20 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 2012
|
|
1CPM
 | |
1V4P
 | |
1D8V
 | | THE RESTRAINED AND MINIMIZED AVERAGE NMR STRUCTURE OF MAP30. | | 分子名称: | ANTI-HIV AND ANTI-TUMOR PROTEIN MAP30 | | 著者 | Wang, Y.-X, Neamati, N, Jacob, J, Palmer, I, Stahl, S.J. | | 登録日 | 1999-10-26 | | 公開日 | 1999-11-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of anti-HIV-1 and anti-tumor protein MAP30: structural insights into its multiple functions.
Cell(Cambridge,Mass.), 99, 1999
|
|
4FTV
 | |
3I0K
 | | Crystal structure of GTB C80S/C196S/C209S + UDP + H antigen | | 分子名称: | ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside | | 著者 | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | 登録日 | 2009-06-25 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
|
|
4FV8
 | | Crystal Structure of the ERK2 complexed with E63 | | 分子名称: | 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ... | | 著者 | Kang, Y.N, Stuckey, J.A, Xie, X. | | 登録日 | 2012-06-29 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structure of the ERK2 complexed with E63
TO BE PUBLISHED
|
|
4FV0
 | |
4OFI
 | | Crystal Structure of Duf (Kirre) D1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Kin of irre, isoform A, ... | | 著者 | Ozkan, E, Garcia, K.C. | | 登録日 | 2014-01-14 | | 公開日 | 2014-02-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
|
|
3ZCP
 | | Rabbit muscle glycogen phosphorylase b in complex with N- cyclohexancarbonyl-N-beta-D-glucopyranosyl urea determined at 1.83 A resolution | | 分子名称: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, ... | | 著者 | Chrysina, E.D, Nagy, V, Felfoldi, N, Konya, B, Telepo, K, Praly, J.P, Docsa, T, Gergely, P, Alexacou, K.M, Hayes, J.M, Konstantakaki, M, Kardakaris, R, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G, Somsak, L. | | 登録日 | 2012-11-21 | | 公開日 | 2013-12-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Synthesis, Kinetic, Computational and Crystallographic Evaluation of N-Acyl-N-Beta-D- Glucopyranosyl)Ureas, Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase, Potential Antidiabetic Agents
To be Published
|
|
2FCB
 | |
6LE2
 | | Structure of D-carbamoylase mutant from Nitratireductor indicus | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase | | 著者 | Ni, Y, Liu, Y.F, Xu, G.C, Dai, W. | | 登録日 | 2019-11-23 | | 公開日 | 2020-10-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
|
|
3VOH
 | | CcCel6A catalytic domain complexed with cellobiose | | 分子名称: | Cellobiohydrolase, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | | 著者 | Tamura, M, Miyazaki, T, Tanaka, Y, Yoshida, M, Nishikawa, A, Tonozuka, T. | | 登録日 | 2012-01-24 | | 公開日 | 2012-03-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Comparison of the structural changes in two cellobiohydrolases, CcCel6A and CcCel6C, from Coprinopsis cinerea - a tweezer-like motion in the structure of CcCel6C
Febs J., 279, 2012
|
|
3QPO
 | | Structure of PDE10-inhibitor complex | | 分子名称: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Pandit, J, Marr, E.S. | | 登録日 | 2011-02-14 | | 公開日 | 2011-06-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
|
|
4TOG
 | | 1.80A resolution structure of BfrB (C89S, K96C) crystal form 2 from Pseudomonas aeruginosa | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterioferritin, POTASSIUM ION, ... | | 著者 | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | | 登録日 | 2014-06-05 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic.
Biochemistry, 54, 2015
|
|
1CVR
 | |
1O8S
 | | Structure of CsCBM6-3 from Clostridium stercorarium in complex with cellobiose | | 分子名称: | CALCIUM ION, PUTATIVE ENDO-XYLANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Boraston, A.B, Notenboom, V, Warren, R.A.J, Kilbrun, D.G, Rose, D.R, Davies, G.J. | | 登録日 | 2002-11-28 | | 公開日 | 2003-03-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Structure and Ligand Binding of Carbohydrate-Binding Module Cscbm6-3 Reveals Similarities with Fucose-Specific Lectins and Galactose-Binding Domains
J.Mol.Biol., 327, 2003
|
|
5PO3
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10164a | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-(3-methyl-1,2-oxazol-5-yl)furan-2-carboxamide, ... | | 著者 | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | 登録日 | 2017-02-07 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
|
|
1CR5
 | | N-TERMINAL DOMAIN OF SEC18P | | 分子名称: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, SEC18P (RESIDUES 22 - 210) | | 著者 | Babor, S.M, Fass, D. | | 登録日 | 1999-08-13 | | 公開日 | 1999-12-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of the Sec18p N-terminal domain.
Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
4IVS
 | | Crystal structure of BACE1 with its inhibitor | | 分子名称: | Beta-secretase 1, N-{N-[4-(acetylamino)-3,5-dichlorobenzyl]carbamimidoyl}-2-(6-cyano-1H-indol-1-yl)acetamide | | 著者 | Chen, T.T, Li, L, Chen, W.Y, Xu, Y.C. | | 登録日 | 2013-01-23 | | 公開日 | 2013-11-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.636 Å) | | 主引用文献 | Virtual screening and structure-based discovery of indole acylguanidines as potent beta-secretase (BACE1) inhibitors
Molecules, 18, 2013
|
|
1JEP
 | | Chalcone Isomerase Complexed with 4'-hydroxyflavanone | | 分子名称: | 2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, CHALCONE--FLAVONONE ISOMERASE 1, SULFATE ION | | 著者 | Jez, J.M, Noel, J.P. | | 登録日 | 2001-06-18 | | 公開日 | 2001-12-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Reaction mechanism of chalcone isomerase. pH dependence, diffusion control, and product binding differences.
J.Biol.Chem., 277, 2002
|
|
1OE5
 | | Xenopus SMUG1, an anti-mutator uracil-DNA Glycosylase | | 分子名称: | 2'-DEOXYURIDINE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*CP*3DRP*GP*GP*AP*CP*TP*3DRP*AP*CP*GP*GP*GP)-3', ... | | 著者 | Wibley, J.E.A, Pearl, L.H. | | 登録日 | 2003-03-19 | | 公開日 | 2003-07-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure and Specificity of the Vertebrate Anti-Mutator Uracil-DNA Glycosylase Smug1
Mol.Cell, 11, 2003
|
|
2FBM
 | | Acetyltransferase domain of CDY1 | | 分子名称: | CHLORIDE ION, Y chromosome chromodomain protein 1, telomeric isoform b | | 著者 | Min, J.R, Antoshenko, T, Hong, W, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | 登録日 | 2005-12-09 | | 公開日 | 2005-12-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Crystal Structure of Acetyltransferases domain of Human Testis-specific chromodomain protein Y 1
To be Published
|
|
