2GVK
 
 | |
4B77
 | | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | | 分子名称: | (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | | 著者 | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | | 登録日 | 2012-08-16 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
|
|
3R4L
 | | Human very long half life Plasminogen Activator Inhibitor type-1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasminogen activator inhibitor 1, beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Yang, J, Zheng, H, Han, Q, Skrzypczak-Jankun, E, Jankun, J. | | 登録日 | 2011-03-17 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Remarkable extension of PAI-1 half-life surprisingly brings no changes to its structure.
Int.J.Mol.Med., 29, 2012
|
|
7KDE
 | |
1G1S
 | | P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose, P-SELECTIN, ... | | 著者 | Somers, W.S, Camphausen, R.T. | | 登録日 | 2000-10-13 | | 公開日 | 2001-10-13 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
|
|
4B78
 | | Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | | 分子名称: | (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 | | 著者 | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | | 登録日 | 2012-08-16 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity.
J.Med.Chem., 56, 2013
|
|
1TEI
 | | STRUCTURE OF CONCANAVALIN A COMPLEXED TO BETA-D-GLCNAC (1,2)ALPHA-D-MAN-(1,6)[BETA-D-GLCNAC(1,2)ALPHA-D-MAN (1,6)]ALPHA-D-MAN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, CONCANAVALIN A, ... | | 著者 | Naismith, J.H, Moothoo, D.N. | | 登録日 | 1997-05-28 | | 公開日 | 1997-08-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Concanavalin A distorts the beta-GlcNAc-(1-->2)-Man linkage of beta-GlcNAc-(1-->2)-alpha-Man-(1-->3)-[beta-GlcNAc-(1-->2)-alpha-Man- (1-->6)]-Man upon binding.
Glycobiology, 8, 1998
|
|
3WAW
 | | Crystal Structure of Autotaxin in Complex with 2BoA | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Nishimasu, H, Ishitani, R, Nureki, O. | | 登録日 | 2013-05-09 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
|
|
1PKJ
 | | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii | | 分子名称: | 1,2-ETHANEDIOL, Bifunctional deaminase/diphosphatase, DEOXYURIDINE-5'-TRIPHOSPHATE | | 著者 | Huffman, J.L, Li, H, White, R.H, Tainer, J.A. | | 登録日 | 2003-06-05 | | 公開日 | 2003-09-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for recognition and catalysis by the bifunctional dCTP deaminase and dUTPase from Methanococcus jannaschii
J.Mol.Biol., 331, 2003
|
|
1W5V
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | 分子名称: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | 登録日 | 2004-08-10 | | 公開日 | 2004-12-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
|
|
2KMK
 | | Gfi-1 Zinc Fingers 3-5 complexed with DNA | | 分子名称: | DNA (5'-D(*CP*AP*TP*AP*AP*AP*TP*CP*AP*CP*TP*GP*CP*CP*TP*A)-3'), DNA (5'-D(*TP*AP*GP*GP*CP*AP*GP*TP*GP*AP*TP*TP*TP*AP*TP*G)-3'), ZINC ION, ... | | 著者 | Lee, S, Wu, Z. | | 登録日 | 2009-07-30 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of Gfi-1 zinc domain bound to consensus DNA.
J.Mol.Biol., 397, 2010
|
|
2KMC
 | | Solution Structure of the N-terminal domain of kindlin-1 | | 分子名称: | Fermitin family homolog 1 | | 著者 | Goult, B.T, Bate, N, Roberts, G.C, Barsukov, I.L, Critchley, D.R. | | 登録日 | 2009-07-27 | | 公開日 | 2009-10-06 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Structure of the N-Terminus of Kindlin-1: A Domain Important for alphaIIbbeta3 Integrin Activation
J.Mol.Biol., 394, 2009
|
|
2KDQ
 | |
2KI5
 | | HERPES SIMPLEX TYPE-1 THYMIDINE KINASE IN COMPLEX WITH THE DRUG ACICLOVIR AT 1.9A RESOLUTION | | 分子名称: | 9-HYROXYETHOXYMETHYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION | | 著者 | Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. | | 登録日 | 1999-02-12 | | 公開日 | 1999-03-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
|
|
1W5Y
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | 分子名称: | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE, POL POLYPROTEIN | | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | 登録日 | 2004-08-10 | | 公開日 | 2004-10-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
|
|
2FKM
 | |
2GYW
 | | Crystal Structure of Mus musculus Acetylcholinesterase in Complex with Obidoxime | | 分子名称: | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | | 著者 | Pang, Y.P, Boman, M, Artursson, E, Akfur, C, Lundberg, S. | | 登録日 | 2006-05-10 | | 公開日 | 2006-08-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structures of acetylcholinesterase in complex with HI-6, Ortho-7 and obidoxime: Structural basis for differences in the ability to reactivate tabun conjugates.
Biochem.Pharm., 72, 2006
|
|
1E3Z
 | | Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.93A | | 分子名称: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | | 著者 | Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. | | 登録日 | 2000-06-27 | | 公開日 | 2001-06-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes
Biochemistry, 39, 2000
|
|
3BIW
 | | Crystal structure of the Neuroligin-1/Neurexin-1beta synaptic adhesion complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Arac, D, Boucard, A.A, Ozkan, E, Strop, P, Newell, E, Sudhof, T.C, Brunger, A.T. | | 登録日 | 2007-12-01 | | 公開日 | 2007-12-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structures of Neuroligin-1 and the Neuroligin-1/Neurexin-1beta Complex Reveal Specific Protein-Protein and Protein-Ca(2+) Interactions.
Neuron, 56, 2007
|
|
1IC1
 | | THE CRYSTAL STRUCTURE FOR THE N-TERMINAL TWO DOMAINS OF ICAM-1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, INTERCELLULAR ADHESION MOLECULE-1 | | 著者 | Casasnovas, J.M, Stehle, T, Liu, J.-H, Wang, J.-H, Springer, T.A. | | 登録日 | 1998-03-09 | | 公開日 | 1998-06-17 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A dimeric crystal structure for the N-terminal two domains of intercellular adhesion molecule-1.
Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
2KEE
 | |
3WAY
 | | Crystal Structure of Autotaxin in Complex with 4BoA | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Nishimasu, H, Ishitani, R, Nureki, O. | | 登録日 | 2013-05-09 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.746 Å) | | 主引用文献 | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
|
|
2B4F
 | | Structure Of A Cold-Adapted Family 8 Xylanase in complex with substrate | | 分子名称: | beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, endo-1,4-beta-xylanase | | 著者 | De Vos, D, Collins, T, Savvides, S.N, Feller, G, Van Beeumen, J.J. | | 登録日 | 2005-09-23 | | 公開日 | 2006-09-05 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Oligosaccharide binding in family 8 glycosidases: crystal structures of active-site mutants of the beta-1,4-xylanase pXyl from Pseudoaltermonas haloplanktis TAH3a in complex with substrate and product.
Biochemistry, 45, 2006
|
|
3WAX
 | | Crystal Structure of Autotaxin in Complex with 3BoA | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Nishimasu, H, Ishitani, R, Nureki, O. | | 登録日 | 2013-05-09 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | Screening and X-ray Crystal Structure-based Optimization of Autotaxin (ENPP2) Inhibitors, Using a Newly Developed Fluorescence Probe
Acs Chem.Biol., 8, 2013
|
|
1W5W
 | | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | | 分子名称: | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1R,2S)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | | 登録日 | 2004-08-10 | | 公開日 | 2004-12-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
|
|
