4XQA
 
 | | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0462 | | Descriptor: | (1-{2-[bis(2-{4-[({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)methyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)methyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | | Authors: | Stehle, T, Liaci, A.M. | | Deposit date: | 2015-01-19 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4072 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
|
|
4XQB
 | | CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR ME0461 | | Descriptor: | 2-(1-{2-[bis(2-{4-[2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)ethyl]-1H-1,2,3-triazol-1-yl}ethyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)ethyl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosidonic acid, ACETATE ION, Fiber, ... | | Authors: | Stehle, T, Liaci, A.M. | | Deposit date: | 2015-01-19 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.597 Å) | | Cite: | Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Org.Biomol.Chem., 13, 2015
|
|
4ODB
 | |
4FMJ
 | | Merkel cell polyomavirus VP1 in complex with GD1a oligosaccharide | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Neu, U, Hengel, H, Stehle, T. | | Deposit date: | 2012-06-17 | | Release date: | 2012-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
|
|
4FMH
 | | Merkel Cell Polyomavirus VP1 in complex with Disialyllactose | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | Authors: | Neu, U, Hengel, H, Stehle, T. | | Deposit date: | 2012-06-17 | | Release date: | 2012-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
|
|
4FMI
 | | Merkel cell polyomavirus VP1 in complex with 3'-sialyllactosamine | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Neu, U, Hengel, H, Stehle, T. | | Deposit date: | 2012-06-17 | | Release date: | 2012-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
|
|
3UEY
 | |
3UGD
 | | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ... | | Authors: | Shanmugasundararaj, S, Stehle, T, Miller, K.W. | | Deposit date: | 2011-11-02 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
|
|
4WE0
 | | JC Polyomavirus VP1 five-fold pore mutant P223M | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1 | | Authors: | Stroh, L.J, Stehle, T. | | Deposit date: | 2014-09-09 | | Release date: | 2015-02-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Modulation of a Pore in the Capsid of JC Polyomavirus Reduces Infectivity and Prevents Exposure of the Minor Capsid Proteins.
J.Virol., 89, 2015
|
|
4WAC
 | | Crystal Structure of TarM | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Koc, C, Stehle, T, Xia, G, Peschel, A. | | Deposit date: | 2014-08-29 | | Release date: | 2015-02-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid.
J.Biol.Chem., 290, 2015
|
|
3L89
 | |
3L88
 | | Crystal structure of the human Adenovirus type 21 fiber knob | | Descriptor: | CHLORIDE ION, Fiber protein, GLYCEROL, ... | | Authors: | Cupelli, K, Jost, M, Persson, B.D, Stehle, T. | | Deposit date: | 2009-12-30 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of adenovirus type 21 knob in complex with CD46 reveals key differences in receptor contacts among species B adenoviruses.
J.Virol., 84, 2010
|
|
1LY2
 | | Crystal structure of unliganded human CD21 SCR1-SCR2 (Complement receptor type 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, complement receptor type 2 | | Authors: | Prota, A.E, Sage, D.R, Stehle, T, Fingeroth, J.D. | | Deposit date: | 2002-06-06 | | Release date: | 2002-07-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of human CD21: Implications for Epstein-Barr virus and C3d binding.
Proc.Natl.Acad.Sci.USA, 99, 2002
|
|
1M1X
 | | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHA VBETA3 BOUND TO MN2+ | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A. | | Deposit date: | 2002-06-20 | | Release date: | 2002-08-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
|
|
1M1U
 | | AN ISOLEUCINE-BASED ALLOSTERIC SWITCH CONTROLS AFFINITY AND SHAPE SHIFTING IN INTEGRIN CD11B A-DOMAIN | | Descriptor: | CALCIUM ION, Integrin alpha-M | | Authors: | Xiong, J.-P, Li, R, Essafi, M, Stehle, T, Arnaout, M.A. | | Deposit date: | 2002-06-20 | | Release date: | 2002-08-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | An isoleucine-based allosteric switch controls affinity and shape shifting in integrin CD11b A-domain.
J.Biol.Chem., 275, 2000
|
|
8BZP
 | | JNK3 (Mitogen-activated protein kinase 10) in Complex with Compound 23 bearing a C(sp3)F2Br moiety | | Descriptor: | 1,2-ETHANEDIOL, 2-bromanyl-2,2-bis(fluoranyl)-~{N}-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)ethanamide, BETA-MERCAPTOETHANOL, ... | | Authors: | Stahlecker, J, Vaas, S, Stehle, T, Boeckler, F.M. | | Deposit date: | 2022-12-15 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Principles and Applications of CF 2 X Moieties as Unconventional Halogen Bond Donors in Medicinal Chemistry, Chemical Biology, and Drug Discovery.
J.Med.Chem., 66, 2023
|
|
2WY3
 | | Structure of the HCMV UL16-MICB complex elucidates select binding of a viral immunoevasin to diverse NKG2D ligands | | Descriptor: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Mueller, S, Zocher, G, Steinle, A, Stehle, T. | | Deposit date: | 2009-11-11 | | Release date: | 2010-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Hcmv Ul16-Micb Complex Elucidates Select Binding of a Viral Immunoevasin to Diverse Nkg2D Ligands.
Plos Pathog., 6, 2010
|
|
1VSC
 | | VCAM-1 | | Descriptor: | VASCULAR CELL ADHESION MOLECULE-1 | | Authors: | Wang, J, Stehle, T, Osborn, L. | | Deposit date: | 1995-04-27 | | Release date: | 1996-06-20 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of an N-terminal two-domain fragment of vascular cell adhesion molecule 1 (VCAM-1): a cyclic peptide based on the domain 1 C-D loop can inhibit VCAM-1-alpha 4 integrin interaction.
Proc.Natl.Acad.Sci.USA, 92, 1995
|
|
1CN3
 | |
7NKT
 | | RBD domain of SARS-CoV2 in complex with neutralizing nanobody NM1226 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Ostertag, E, Zocher, G, Stehle, T. | | Deposit date: | 2021-02-18 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NeutrobodyPlex-monitoring SARS-CoV-2 neutralizing immune responses using nanobodies.
Embo Rep., 22, 2021
|
|
7OJ7
 | |
3ZYA
 | | Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone | | Descriptor: | 2-AMINO-PHENYLAMINO-DIBENZOSUBERONE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Romir, J, Koeberle, S.C, Laufer, S.A, Stehle, T. | | Deposit date: | 2011-08-18 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Skepinone-L is a Selective P38 Mitogen-Activated Protein Kinase Inhibitor.
Nat.Chem.Biol., 8, 2011
|
|
6TSD
 | |
8Q6Z
 | | Crystal structure of Cytochrome P450 GymB1 from Streptomyces flavidovirens | | Descriptor: | GLYCEROL, GymB1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Freytag, J, Kelm, T, Stehle, T, Zocher, G. | | Deposit date: | 2023-08-15 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes GymBx Establish Their Chemoselectivity
Chemcatchem, 16, 2024
|
|
8Q6X
 | | Crystal structure of Cytochrome P450 GymB5 from Streptomyces katrae | | Descriptor: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Freytag, J, Mueller, J.M, Stehle, T, Zocher, G. | | Deposit date: | 2023-08-15 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes GymBx Establish Their Chemoselectivity
Chemcatchem, 16, 2024
|
|
