3W3L
 
 | | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 1 | | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2012-12-22 | | Release date: | 2013-04-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
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3R7E
 | | CDK2 in complex with inhibitor KVR-1-67 | | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-2-[(pyrazin-2-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-22 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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1Z7Z
 | | Cryo-em structure of human coxsackievirus A21 complexed with five domain icam-1kilifi | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Intercellular adhesion molecule-1, human coxsackievirus A21 | | Authors: | Xiao, C, Bator-Kelly, C.M, Rieder, E, Chipman, P.R, Craig, A, Kuhn, R.J, Wimmer, E, Rossmann, M.G. | | Deposit date: | 2005-03-28 | | Release date: | 2005-08-02 | | Last modified: | 2024-12-25 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | The crystal structure of coxsackievirus a21 and its interaction with icam-1.
Structure, 13, 2005
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3NXD
 | | JC polyomavirus VP1 in complex with LSTc | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ... | | Authors: | Neu, U, Stroeh, L.J, Stehle, T. | | Deposit date: | 2010-07-13 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-function analysis of the human JC polyomavirus establishes the LSTc pentasaccharide as a functional receptor motif.
Cell Host Microbe, 8, 2010
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3R73
 | | CDK2 in complex with inhibitor KVR-1-164 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-aminopropyl)amino]-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-22 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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2A3Z
 | | Ternary complex of the WH2 domain of WASP with Actin-DNAse I | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Chereau, D, Kerff, F, Dominguez, R. | | Deposit date: | 2005-06-27 | | Release date: | 2005-11-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.078 Å) | | Cite: | Actin-bound structures of Wiskott-Aldrich syndrome protein (WASP)-homology domain 2 and the implications for filament assembly
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1W63
 | | AP1 clathrin adaptor core | | Descriptor: | ADAPTER-RELATED PROTEIN COMPLEX 1 BETA 1 SUBUNIT, ADAPTER-RELATED PROTEIN COMPLEX 1 GAMMA 1 SUBUNIT, ADAPTER-RELATED PROTEIN COMPLEX 1 SIGMA 1A SUBUNIT, ... | | Authors: | Heldwein, E, Macia, E, Wang, J, Yin, H.L, Kirchhausen, T, Harrison, S.C. | | Deposit date: | 2004-08-12 | | Release date: | 2004-09-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal Structure of the Clathrin Adaptor Protein 1 Core
Proc.Natl.Acad.Sci.USA, 101, 2004
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3EDF
 | | Structural base for cyclodextrin hydrolysis | | Descriptor: | CALCIUM ION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), Cyclomaltodextrinase, ... | | Authors: | Buedenbender, S, Schulz, G.E. | | Deposit date: | 2008-09-03 | | Release date: | 2009-03-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural base for enzymatic cyclodextrin hydrolysis
J.Mol.Biol., 385, 2009
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2EXK
 | | Structure of the family43 beta-Xylosidase E187G from geobacillus stearothermophilus in complex with xylobiose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Brux, C, Niefind, K, Shallom-Shezifi, D, Shoham, Y, Schomburg, D. | | Deposit date: | 2005-11-08 | | Release date: | 2006-04-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Structure of an Inverting GH43 beta-Xylosidase from Geobacillus stearothermophilus with its Substrate Reveals the Role of the Three Catalytic Residues.
J.Mol.Biol., 359, 2006
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2WXD
 | | A MICROMOLAR O-SULFATED THIOHYDROXIMATE INHIBITOR BOUND TO PLANT MYROSINASE | | Descriptor: | 2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Besle, A, Burmeister, W.P. | | Deposit date: | 2009-11-09 | | Release date: | 2010-02-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Micromolar O-Sulfated Thiohydroximate Inhibitor Bound to Plant Myrosinase
Acta Crystallogr.,Sect.F, 66, 2010
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3R28
 | | CDK2 in complex with inhibitor KVR-1-140 | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-nitro-2-[(3,4,5-trifluorobenzyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-14 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3R7I
 | | CDK2 in complex with inhibitor KVR-1-74 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2-carbamoyl-4-nitrophenyl)amino]methyl}benzoic acid, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-22 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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3WQ6
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2FBD
 | | The crystallographic structure of the digestive lysozyme 1 from Musca domestica at 1.90 Ang. | | Descriptor: | DI(HYDROXYETHYL)ETHER, Lysozyme 1, SULFATE ION | | Authors: | Cancado, F.C, Marana, S.R, Barbosa, J.A.R.G. | | Deposit date: | 2005-12-09 | | Release date: | 2006-12-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallization, data collection and phasing of two digestive lysozymes from Musca domestica.
Acta Crystallogr.,Sect.F, 62, 2006
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3TV3
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7LUA
 | | Cryo-EM structure of DH898.1 Fab-dimer bound near the CD4 binding site of HIV-1 Env CH848 SOSIP trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848 SOSIP gp120, ... | | Authors: | Manne, K, Edwards, R.J, Acharya, P. | | Deposit date: | 2021-02-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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7LU9
 | | Cryo-EM structure of DH851.3 bound to HIV-1 CH505 Env | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Manne, K, Edwards, R.J, Acharya, P. | | Deposit date: | 2021-02-21 | | Release date: | 2021-03-24 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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2HA8
 | | Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, TAR (HIV-1) RNA loop binding protein | | Authors: | Min, J, Wu, H, Zeng, H, Loppnau, P, Battaile, K, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-06-12 | | Release date: | 2006-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 in complex with S-adenosyl-L-homocystein.
To be Published
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3RAI
 | | CDK2 in complex with inhibitor KVR-1-160 | | Descriptor: | 1,2-ETHANEDIOL, 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-28 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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1ZGB
 | | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. | | Descriptor: | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2005-04-21 | | Release date: | 2005-08-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
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3R1Y
 | | CDK2 in complex with inhibitor KVR-1-134 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | | Deposit date: | 2011-03-11 | | Release date: | 2012-08-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
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2KXP
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2KO7
 | | Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with Cycloheximide-N-ethylethanoate | | Descriptor: | Peptidyl-prolyl cis-trans isomerase, ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate | | Authors: | Zheng, S, Leeper, T, Varani, G, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2009-09-11 | | Release date: | 2009-09-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The structure of a Burkholderia pseudomallei immunophilin-inhibitor complex reveals new approaches to antimicrobial development.
Biochem.J., 437, 2011
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2KTP
 | | Structure of the 1,N2-ethenodeoxyguanosine lesion opposite a one-base deletion in duplex DNA | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*TP*(GNE)P*GP*AP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*TP*CP*AP*TP*GP*CP*G)-3') | | Authors: | Shanmugam, G, Kozekov, I.D, Guengerich, P.F, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2010-02-05 | | Release date: | 2010-03-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of the 1,N(2)-etheno-2'-deoxyguanosine lesion in the 3'-G(epsilon dG)T-5' sequence opposite a one-base deletion.
Biochemistry, 49, 2010
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3BVU
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