8B5C
 
 | | Human BRD4 bromdomain 1 in complex with a H4 peptide containing ApmTri (H4K5/8ApmTri) | | Descriptor: | Bromodomain-containing protein 4, H4K5/8ApmTri | | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | | Deposit date: | 2022-09-22 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8R8E
 | | DYRK1a in Complex with 2-Cyclopentyl-7-iodo-1H-indole-3-carbonitrile | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclopentyl-7-iodanyl-1~{H}-indole-3-carbonitrile, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Stahlecker, J, Dammann, M, Stehle, T, Boeckler, F.M. | | Deposit date: | 2023-11-29 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Halogen Bonding on Water─A Drop in the Ocean?
J Chem Theory Comput, 2024
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3I4X
 | | Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus in complex with Trp and DMSPP | | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, TRYPTOPHAN, ... | | Authors: | Schall, C, Zocher, G, Stehle, T. | | Deposit date: | 2009-07-03 | | Release date: | 2009-09-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
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3INB
 | | Structure of the measles virus hemagglutinin bound to the CD46 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein, Membrane cofactor protein, ... | | Authors: | Santiago, C, Celma, M.L, Stehle, T, Casasnovas, J.M. | | Deposit date: | 2009-08-12 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the measles virus hemagglutinin bound to the CD46 receptor
Nat.Struct.Mol.Biol., 17, 2010
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3I4Z
 | | Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus | | Descriptor: | 1,3-BUTANEDIOL, GLYCEROL, Tryptophan dimethylallyltransferase | | Authors: | Schall, C, Zocher, G, Stehle, T. | | Deposit date: | 2009-07-03 | | Release date: | 2009-09-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
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5IVO
 | | BC2 nanobody | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BC2-nanobody | | Authors: | Braun, M.B, Stehle, T. | | Deposit date: | 2016-03-21 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Peptides in headlock - a novel high-affinity and versatile peptide-binding nanobody for proteomics and microscopy.
Sci Rep, 6, 2016
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1CKL
 | | N-TERMINAL TWO DOMAINS OF HUMAN CD46 (MEMBRANE COFACTOR PROTEIN, MCP) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Casasnovas, J, Larvie, M, Stehle, T. | | Deposit date: | 1999-04-22 | | Release date: | 1999-06-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of two CD46 domains reveals an extended measles virus-binding surface.
EMBO J., 18, 1999
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2BDF
 | | Src kinase in complex with inhibitor AP23451 | | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | | Authors: | Dalgarno, D, Stehle, T, Schelling, P, Sawyer, T, Narula, S. | | Deposit date: | 2005-10-20 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
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2BDJ
 | | Src kinase in complex with inhibitor AP23464 | | Descriptor: | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Dalgarno, D, Stehle, T, Schelling, P, Narula, S, Sawyer, T. | | Deposit date: | 2005-10-20 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
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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: | 2024-10-23 | | 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
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3EOY
 | | Structure of Reovirus sigma1 in Complex with Its Receptor Junctional Adhesion Molecule-A | | Descriptor: | Junctional adhesion molecule A, Outer capsid protein sigma-1 | | Authors: | Kirchner, E, Guglielmi, K.M, Dermody, T.S, Stehle, T. | | Deposit date: | 2008-09-29 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of reovirus sigma1 in complex with its receptor junctional adhesion molecule-A
Plos Pathog., 4, 2008
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7PAA
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7PA7
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7QB5
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6HNQ
 | | TarP-6RboP-(CH2)6NH2 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase, ... | | Authors: | Guo, Y, Stehle, T. | | Deposit date: | 2018-09-17 | | Release date: | 2018-10-24 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Nature, 563, 2018
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6HKU
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6HKV
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3EXV
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1U8C
 | | A novel adaptation of the integrin PSI domain revealed from its crystal structure | | 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, Goodman, S.L, Arnaout, M.A. | | Deposit date: | 2004-08-05 | | Release date: | 2004-12-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A novel adaptation of the integrin PSI domain revealed from its crystal structure.
J.Biol.Chem., 279, 2004
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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
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3F0Y
 | | Crystal structure of the human Adenovirus type 14 fiber knob | | Descriptor: | Fiber protein, GLYCEROL, IMIDAZOLE | | Authors: | Persson, B.D, Reiter, D.M, Arnberg, N, Stehle, T. | | Deposit date: | 2008-10-27 | | Release date: | 2008-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An arginine switch in the species B adenovirus knob determines high-affinity engagement of cellular receptor CD46
J.Virol., 83, 2009
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3EXW
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4Y7U
 | | Structural analysis of MurU | | Descriptor: | 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, GLYCEROL, ... | | Authors: | Renner-Schneck, M.G, Stehle, T. | | Deposit date: | 2015-02-16 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
J.Biol.Chem., 290, 2015
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4Y7V
 | | Structural analysis of MurU | | Descriptor: | 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, IMIDODIPHOSPHORIC ACID, ... | | Authors: | Renner-Schneck, M.G, Stehle, T. | | Deposit date: | 2015-02-16 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
J.Biol.Chem., 290, 2015
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4Y7T
 | | Structural analysis of MurU | | Descriptor: | GLYCEROL, Nucleotidyl transferase, SULFATE ION | | Authors: | Renner-Schneck, M.G, Stehle, T. | | Deposit date: | 2015-02-16 | | Release date: | 2015-03-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
J.Biol.Chem., 290, 2015
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