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6G47
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BU of 6g47 by Molmil
Crystal Structure of Human Adenovirus 52 Short Fiber Knob in Complex with alpha-(2,8)-Trisialic Acid (DP3)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Liaci, A.M, Stehle, T.
Deposit date:2018-03-26
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Polysialic acid is a cellular receptor for human adenovirus 52.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7ZH8
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BU of 7zh8 by Molmil
DYRK1a in Complex with a Bromo-Triazolo-Pyridine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ...
Authors:Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M.
Deposit date:2022-04-05
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
J.Med.Chem., 65, 2022
8A92
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BU of 8a92 by Molmil
p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine, Cellular tumor antigen p53, ...
Authors:Stahlecker, J, Braun, M.B, Stehle, T, Boeckler, F.M.
Deposit date:2022-06-27
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C.
Rsc Med Chem, 13, 2022
5IVN
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BU of 5ivn by Molmil
BC2 nanobody in complex with the BC2 peptide tag
Descriptor: BC2-nanobody, Cadherin derived peptide
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 Å)
Cite:Peptides in headlock - a novel high-affinity and versatile peptide-binding nanobody for proteomics and microscopy.
Sci Rep, 6, 2016
3I4Z
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BU of 3i4z by Molmil
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
3I4X
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BU of 3i4x by Molmil
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
6GS2
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BU of 6gs2 by Molmil
Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, SA1707 protein, ...
Authors:Muckenfuss, L.M, Noeldeke, E.R, Niemann, V, Zocher, G, Stehle, T.
Deposit date:2018-06-13
Release date:2018-09-05
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural basis of cell wall peptidoglycan amidation by the GatD/MurT complex of Staphylococcus aureus.
Sci Rep, 8, 2018
8Q6X
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BU of 8q6x by Molmil
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
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BU of 8q6y by Molmil
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
3S6Y
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BU of 3s6y by Molmil
Structure of reovirus attachment protein sigma1 in complex with alpha-2,6-sialyllactose
Descriptor: N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
Authors:Reiter, D.M, Dermody, T.S, Stehle, T.
Deposit date:2011-05-26
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Plos Pathog., 7, 2011
3S6X
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BU of 3s6x by Molmil
Structure of reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
Authors:Reiter, D.M, Dermody, T.S, Stehle, T.
Deposit date:2011-05-26
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Plos Pathog., 7, 2011
3S6Z
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BU of 3s6z by Molmil
Structure of reovirus attachment protein sigma1 in complex with alpha-2,8-disialyllactose
Descriptor: N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Outer capsid protein sigma-1
Authors:Reiter, D.M, Dermody, T.S, Stehle, T.
Deposit date:2011-05-26
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Plos Pathog., 7, 2011
7NKT
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BU of 7nkt by Molmil
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
4MBZ
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BU of 4mbz by Molmil
Structure of B-Lymphotropic Polyomavirus VP1 in complex with 3'-sialyllactosamine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Khan, Z.M, Neu, U, Stehle, T.
Deposit date:2013-08-21
Release date:2013-12-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands.
Plos Pathog., 9, 2013
7OJ7
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BU of 7oj7 by Molmil
Crystal structure of human coxsackievirus A24v in complex with a pentavalent N-acetylneuraminic acid conjugate
Descriptor: CALCIUM ION, CHLORIDE ION, Capsid protein VP1, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2021-05-14
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Exploring the Effect of Structure-Based Scaffold Hopping on the Inhibition of Coxsackievirus A24v Transduction by Pentavalent N-Acetylneuraminic Acid Conjugates.
Int J Mol Sci, 22, 2021
4Y7T
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BU of 4y7t by Molmil
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
4FMH
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BU of 4fmh by Molmil
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
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BU of 4fmi by Molmil
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
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
Authors:Cupelli, K, Stehle, T.
Deposit date:2010-04-23
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
4Y7U
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BU of 4y7u by Molmil
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
4Y7V
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BU of 4y7v by Molmil
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
4FMG
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BU of 4fmg by Molmil
Merkel Cell Polyomavirus VP1 Unassembled Pentamer
Descriptor: CHLORIDE ION, GLYCEROL, VP1
Authors:Neu, U, Hengel, H, Stehle, T.
Deposit date:2012-06-17
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection.
Plos Pathog., 8, 2012
4FMJ
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BU of 4fmj by Molmil
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
4MBY
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BU of 4mby by Molmil
Structure of B-Lymphotropic Polyomavirus VP1 in complex with 3'-sialyllactose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Khan, Z.M, Neu, U, Stehle, T.
Deposit date:2013-08-21
Release date:2013-12-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands.
Plos Pathog., 9, 2013
4L68
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BU of 4l68 by Molmil
Structure of the psedudokinase domain of BIR2, an immune regulator of the RLK/Pelle family
Descriptor: 1,3-PROPANDIOL, Leucine-rich repeat protein kinase-like protein
Authors:Blaum, B.S, Stehle, T.
Deposit date:2013-06-12
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the pseudokinase domain of BIR2, a regulator of BAK1-mediated immune signaling in Arabidopsis.
J.Struct.Biol., 186, 2014

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