4XQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xqa by Molmil](/molmil-images/mine/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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4xqb by Molmil](/molmil-images/mine/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
|
|
1VSC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vsc by Molmil](/molmil-images/mine/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
|
|
4GR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gr4 by Molmil](/molmil-images/mine/4gr4) | Crystal structure of SlgN1deltaAsub | Descriptor: | CHLORIDE ION, Non-ribosomal peptide synthetase | Authors: | Herbst, D.A, Zocher, G, Stehle, T. | Deposit date: | 2012-08-24 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Basis of the Interaction of MbtH-like Proteins, Putative Regulators of Nonribosomal Peptide Biosynthesis, with Adenylating Enzymes. J.Biol.Chem., 288, 2013
|
|
7NKT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nkt by Molmil](/molmil-images/mine/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
|
|
8BZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8bzp by Molmil](/molmil-images/mine/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
|
|
8Q6Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q6z by Molmil](/molmil-images/mine/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
|
|
4POT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pot by Molmil](/molmil-images/mine/4pot) | |
4POQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4poq by Molmil](/molmil-images/mine/4poq) | Structure of unliganded VP1 pentamer of Human Polyomavirus 9 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ISOPROPYL ALCOHOL, ... | Authors: | Khan, Z.M, Stehle, T. | Deposit date: | 2014-02-26 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic and glycan microarray analysis of human polyomavirus 9 VP1 identifies N-glycolyl neuraminic acid as a receptor candidate. J.Virol., 88, 2014
|
|
4POS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pos by Molmil](/molmil-images/mine/4pos) | |
4POR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4por by Molmil](/molmil-images/mine/4por) | |
8Q6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q6x by Molmil](/molmil-images/mine/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
|
|
8Q6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q6y by Molmil](/molmil-images/mine/8q6y) | Crystal structure of Cytochrome P450 GymB5 from Streptomyces katrae in complex with cYY and Hypoxanthine | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, 1,2-ETHANEDIOL, Cytochrome P450, ... | Authors: | Freytag, J, Mueller, J.M, Stehle, T, Zocher, G. | Deposit date: | 2023-08-15 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Intramolecular Coupling and Nucleobase Transfer - How Cytochrome P450 Enzymes GymBx Establish Their Chemoselectivity Chemcatchem, 16, 2024
|
|
4WAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wac by Molmil](/molmil-images/mine/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
|
|
4WDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdz by Molmil](/molmil-images/mine/4wdz) | JC Polyomavirus VP1 five-fold pore mutant N221W | 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 (1.8 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
|
|
4WAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wad by Molmil](/molmil-images/mine/4wad) | Crystal Structure of TarM with UDP-GlcNAc | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Glycosyl transferase, ... | Authors: | Koc, C, Stehle, T, Xia, G, Peschel, A. | Deposit date: | 2014-08-29 | Release date: | 2015-02-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 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
|
|
2WY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wy3 by Molmil](/molmil-images/mine/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
|
|
4PCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pcg by Molmil](/molmil-images/mine/4pcg) | Structure of Human Polyomavirus 6 (HPyV6) VP1 pentamer | Descriptor: | SODIUM ION, THIOCYANATE ION, VP1 | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-04-15 | Release date: | 2014-08-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure analysis of the major capsid proteins of human polyomaviruses 6 and 7 reveals an obstructed sialic Acid binding site. J.Virol., 88, 2014
|
|
4PCH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pch by Molmil](/molmil-images/mine/4pch) | |
3ZYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zya by Molmil](/molmil-images/mine/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
|
|
4WDY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wdy by Molmil](/molmil-images/mine/4wdy) | JC Polyomavirus VP1 five-fold pore mutant N221Q | 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 (1.9 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
|
|
4WE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4we0 by Molmil](/molmil-images/mine/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
|
|
6TSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tsd by Molmil](/molmil-images/mine/6tsd) | |
7QB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qb5 by Molmil](/molmil-images/mine/7qb5) | |
5EFV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5efv by Molmil](/molmil-images/mine/5efv) | The host-recognition device of Staphylococcus aureus phage Phi11 | Descriptor: | FE (III) ION, Phi ETA orf 56-like protein | Authors: | Koc, C, Kuhner, P, Xia, G, Spinelli, S, Roussel, A, Cambillau, C, Stehle, T. | Deposit date: | 2015-10-26 | Release date: | 2016-05-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the host-recognition device of Staphylococcus aureus phage 11. Sci Rep, 6, 2016
|
|