2WBW
 
 | | Ad37 fibre head in complex with CAR D1 and sialic acid | | 分子名称: | CALCIUM ION, COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBER PROTEIN, ... | | 著者 | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | | 登録日 | 2009-03-05 | | 公開日 | 2009-03-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The Cell Adhesion Molecule "Car" and Sialic Acid on Human Erythrocytes Influence Adenovirus in Vivo Biodistribution.
Plos Pathog., 5, 2009
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2V5Y
 | | Crystal structure of the receptor protein tyrosine phosphatase mu ectodomain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE MU, SODIUM ION | | 著者 | Aricescu, A.R, Siebold, C, Choudhuri, K, Chang, V.T, Lu, W, Davis, S.J, van der Merwe, P.A, Jones, E.Y. | | 登録日 | 2007-07-11 | | 公開日 | 2007-09-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure of a Tyrosine Phosphatase Adhesive Interaction Reveals a Spacer-Clamp Mechanism.
Science, 317, 2007
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2WHP
 | | Crystal structure of acetylcholinesterase, phosphonylated by sarin and in complex with HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | 著者 | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | | 登録日 | 2009-05-06 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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2X8B
 | | Crystal structure of human acetylcholinesterase inhibited by aged tabun and complexed with fasciculin-II | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETHYLCHOLINESTERASE, CHLORIDE ION, ... | | 著者 | Carletti, E, Colletier, J.P, Nachon, F. | | 登録日 | 2010-03-08 | | 公開日 | 2010-04-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structural evidence that human acetylcholinesterase inhibited by tabun ages through O-dealkylation.
J. Med. Chem., 53, 2010
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1KMQ
 | | Crystal Structure of a Constitutively Activated RhoA Mutant (Q63L) | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Longenecker, K, Read, P, Lin, S.-K, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S. | | 登録日 | 2001-12-17 | | 公開日 | 2003-05-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure of a constitutively activated RhoA mutant (Q63L) at 1.55 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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2WHQ
 | | Crystal structure of acetylcholinesterase, phosphonylated by sarin (aged) in complex with HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | 著者 | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | | 登録日 | 2009-05-06 | | 公開日 | 2009-06-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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2WLS
 | | Crystal structure of Mus musculus Acetylcholinesterase in complex with AMTS13 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pang, Y.P, Ekstrom, F, Polsinelli, G.A, Gao, Y, Rana, S, Hua, D.H, Andersson, B, Andersson, P.O, Peng, L, Singh, S.K, Mishra, R.K, Zhu, K.Y, Fallon, A.M, Ragsdale, D.W, Brimijoin, S. | | 登録日 | 2009-06-25 | | 公開日 | 2009-09-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Selective and Irreversible Inhibitors of Mosquito Acetylcholinesterases for Controlling Malaria and Other Mosquito-Borne Diseases.
Plos One, 4, 2009
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2WHR
 | | Crystal structure of acetylcholinesterase in complex with K027 | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | 著者 | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.-G, Schneider, G, Pang, Y.-P. | | 登録日 | 2009-05-06 | | 公開日 | 2009-05-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | | 主引用文献 | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
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1L3M
 | | The Solution Structure of [d(CGC)r(amamam)d(TTTGCG)]2 | | 分子名称: | 5'-D(*CP*GP*C)-R(P*(A39)P*(A39)P*(A39))-D(P*TP*TP*TP*GP*CP*G)-3' | | 著者 | Tsao, Y.P, Wang, L.Y, Hsu, S.T, Jain, M.L, Chou, S.H, Huang, W.C, Cheng, J.W. | | 登録日 | 2002-02-28 | | 公開日 | 2002-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of [d(CGC)r(amamam)d(TTTGCG)]2.
J.Biomol.NMR, 21, 2001
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1LB1
 | | Crystal Structure of the Dbl and Pleckstrin homology domains of Dbs in complex with RhoA | | 分子名称: | Guanine nucleotide exchange factor DBS, Transforming protein RhoA | | 著者 | Snyder, J.T, Worthylake, D.K, Rossman, K.L, Betts, L, Pruitt, W.M, Siderovski, D.P, Der, C.J, Sondek, J. | | 登録日 | 2002-04-01 | | 公開日 | 2002-05-29 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structural basis for the selective activation of Rho GTPases by Dbl exchange factors.
Nat.Struct.Biol., 9, 2002
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2V3S
 | | Structural insights into the recognition of substrates and activators by the OSR1 kinase | | 分子名称: | ACETATE ION, SERINE/THREONINE-PROTEIN KINASE OSR1, SERINE/THREONINE-PROTEIN KINASE WNK4 | | 著者 | Villa, F, Goebel, J, Rafiqi, F.H, Deak, M, Thastrup, J, Alessi, D.R, van Aalten, D.M.F. | | 登録日 | 2007-06-21 | | 公開日 | 2007-07-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Insights Into the Recognition of Substrates and Activators by the Osr1 Kinase
Embo Rep., 8, 2007
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2VKC
 | | Solution structure of the B3BP Smr domain | | 分子名称: | NEDD4-BINDING PROTEIN 2 | | 著者 | Diercks, T, Ab, E, Daniels, M.A, deJong, R.N, Besseling, R, Kaptein, R, Folkers, G.E. | | 登録日 | 2007-12-18 | | 公開日 | 2008-10-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure and Characterization of the DNA- Binding Activity of the B3BP-Smr Domain.
J.Mol.Biol., 383, 2008
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6D29
 | | HLA-B*57:01 presenting TSMSFVPRPW | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-57 alpha chain, ... | | 著者 | Vivian, J.P, Rossjohn, J. | | 登録日 | 2018-04-13 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | A subset of HLA-I peptides are not genomically templated: Evidence for cis- and trans-spliced peptide ligands.
Sci Immunol, 3, 2018
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3C43
 | | Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor | | 分子名称: | (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Scapin, G, Edmondson, S.D, Weber, A.E. | | 登録日 | 2008-01-29 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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2LJ1
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3BKI
 | | Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms | | 分子名称: | Glutamate receptor 2, [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide | | 著者 | Cruz, L, Estebanez-Perpina, E, Pfaff, S, Borngraeber, S, Bao, N, Fletterick, R, England, P. | | 登録日 | 2007-12-06 | | 公開日 | 2008-09-16 | | 最終更新日 | 2019-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | 6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor.
J.Med.Chem., 51, 2008
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6D5Y
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4YAZ
 | | 3',3'-cGAMP riboswitch bound with 3',3'-cGAMP | | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Ren, A.M, Patel, D.J, Rajashankar, R.K. | | 登録日 | 2015-02-18 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch.
Cell Rep, 11, 2015
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3C7Q
 | | Structure of VEGFR2 kinase domain in complex with BIBF1120 | | 分子名称: | SULFATE ION, Vascular endothelial growth factor receptor 2, methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate | | 著者 | Hilberg, F, Roth, G.J, Krssak, M, Kautschitsch, S, Sommergruber, W, Tontsch-Grunt, U, Garin-Chesa, P, Bader, G, Zoephel, A, Quant, J, Heckel, A, Rettig, W.J. | | 登録日 | 2008-02-08 | | 公開日 | 2008-12-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.
Cancer Res., 68, 2008
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4YB1
 | | 20A Mutant c-di-GMP Vc2 Riboswitch bound with 3',3'-cGAMP | | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, MAGNESIUM ION, RNA (91-MER), ... | | 著者 | Ren, A.M, Patel, D.J, Rajashankar, R.K. | | 登録日 | 2015-02-18 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.081 Å) | | 主引用文献 | Structural Basis for Molecular Discrimination by a 3',3'-cGAMP Sensing Riboswitch.
Cell Rep, 11, 2015
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6DK1
 | | Human sigma-1 receptor bound to (+)-pentazocine | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol, GLYCEROL, ... | | 著者 | Schmidt, H.R, Kruse, A.C. | | 登録日 | 2018-05-28 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | | 主引用文献 | Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
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2LJ0
 | | The third SH3 domain of R85FL | | 分子名称: | Sorbin and SH3 domain-containing protein 1 | | 著者 | Jiang, Y, Hu, H. | | 登録日 | 2011-09-02 | | 公開日 | 2012-09-05 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure Basis for the Recognition of Ataxin-7 PRR with R85FL SH3 Domain
To be Published
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3CCB
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3CAP
 | | Crystal Structure of Native Opsin: the G Protein-Coupled Receptor Rhodopsin in its Ligand-free State | | 分子名称: | 2-O-octyl-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, ... | | 著者 | Park, J.H, Scheerer, P, Hofmann, K.P, Choe, H.-W, Ernst, O.P. | | 登録日 | 2008-02-20 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of the ligand-free G-protein-coupled receptor opsin
Nature, 454, 2008
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | 登録日 | 2018-05-06 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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