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PDB: 238 results

4JCF
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BU of 4jcf by Molmil
S268F Variant of JC Polyomavirus Major Capsid Protein VP1 in Complex with LSTc
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ...
Authors:Stehle, T, Stroh, L.J.
Deposit date:2013-02-21
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Progressive multifocal leukoencephalopathy-associated mutations in the JC polyomavirus capsid disrupt lactoseries tetrasaccharide c binding.
MBio, 4, 2013
4JCD
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BU of 4jcd by Molmil
S268Y Variant of JC Polyomavirus Major Capsid Protein VP1
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1
Authors:Stehle, T, Stroh, L.J.
Deposit date:2013-02-21
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Progressive multifocal leukoencephalopathy-associated mutations in the JC polyomavirus capsid disrupt lactoseries tetrasaccharide c binding.
MBio, 4, 2013
4WAC
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BU of 4wac by Molmil
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
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
4WE0
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BU of 4we0 by Molmil
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
4EPC
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BU of 4epc by Molmil
Crystal structure of Autolysin repeat domains from Staphylococcus epidermidis
Descriptor: N-acetylmuramoyl-L-alanine amidase
Authors:Zoll, S, Stehle, T.
Deposit date:2012-04-17
Release date:2012-06-06
Last modified:2012-08-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand-binding properties and conformational dynamics of autolysin repeat domains in staphylococcal cell wall recognition.
J.Bacteriol., 194, 2012
8B5B
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BU of 8b5b by Molmil
Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri)
Descriptor: Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, H4K5acK8ApmTri
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 (1.92 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
3T5Y
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Crystal structure of CerJ from Streptomyces tendae - malonic acid covalently linked to the catalytic Cystein C116
Descriptor: ACETATE ION, CerJ
Authors:Zocher, G, Bretschneider, T, Hertweck, C, Stehle, T.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A ketosynthase homolog uses malonyl units to form esters in cervimycin biosynthesis.
Nat.Chem.Biol., 8, 2011
8B5A
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BU of 8b5a by Molmil
Human BRD3 bromodomain 2 in complex with a H4 peptide containing ApmTri (H4K20ApmTri)
Descriptor: Bromodomain-containing protein 3, H4K20ApmTri
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 (1.92 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
8B5C
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BU of 8b5c by Molmil
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
3T8E
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BU of 3t8e by Molmil
Crystal structure of CerJ from Streptomyces tendae soaked with CerviK
Descriptor: ACETATE ION, CerJ
Authors:Zocher, G, Bretschneider, T, Hertweck, C, Stehle, T.
Deposit date:2011-08-01
Release date:2011-12-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A ketosynthase homolog uses malonyl units to form esters in cervimycin biosynthesis.
Nat.Chem.Biol., 8, 2011
6GAJ
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BU of 6gaj by Molmil
Crystal structure of the T1L reovirus sigma1 coiled coil tail (iodide)
Descriptor: CHLORIDE ION, IODIDE ION, Outer capsid protein sigma-1
Authors:Dietrich, M.H, Stehle, T.
Deposit date:2018-04-11
Release date:2018-04-25
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and Functional Features of the Reovirus sigma 1 Tail.
J. Virol., 92, 2018
3T6S
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BU of 3t6s by Molmil
Crystal structure of CerJ from Streptomyces tendae in Complex with CoA
Descriptor: COENZYME A, CerJ
Authors:Zocher, G, Bretschneider, T, Hertweck, C, Stehle, T.
Deposit date:2011-07-29
Release date:2011-12-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A ketosynthase homolog uses malonyl units to form esters in cervimycin biosynthesis.
Nat.Chem.Biol., 8, 2011
8BZP
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BU of 8bzp by Molmil
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
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
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
5CQ0
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BU of 5cq0 by Molmil
Crystal structure of murine polyomavirus RA strain VP1 in complex with the GD1a glycan
Descriptor: Capsid protein VP1, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, ...
Authors:Buch, M.H.C, Liaci, A.M, Neu, U, Stehle, T.
Deposit date:2015-07-21
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of Murine Polyomavirus Capsid Proteins Establish the Determinants of Ligand Recognition and Pathogenicity.
Plos Pathog., 11, 2015
5CPZ
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BU of 5cpz by Molmil
Crystal structure of murine polyomavirus RA strain VP1 in complex with the GT1a glycan
Descriptor: Capsid protein VP1, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, ...
Authors:Buch, M.H.C, Liaci, A.M, Neu, U, Stehle, T.
Deposit date:2015-07-21
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural and Functional Analysis of Murine Polyomavirus Capsid Proteins Establish the Determinants of Ligand Recognition and Pathogenicity.
Plos Pathog., 11, 2015
5CPY
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BU of 5cpy by Molmil
Crystal structure of murine polyomavirus PTA strain VP1 in complex with the GD1a glycan
Descriptor: GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, VP1
Authors:Liaci, A.M, Buch, M.H.C, Neu, U, Stehle, T.
Deposit date:2015-07-21
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and Functional Analysis of Murine Polyomavirus Capsid Proteins Establish the Determinants of Ligand Recognition and Pathogenicity.
Plos Pathog., 11, 2015
5CPW
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BU of 5cpw by Molmil
Crystal structure of murine polyomavirus PTA strain VP1 in complex with the GT1a glycan
Descriptor: GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, ...
Authors:Liaci, A.M, Buch, M.H.C, Neu, U, Stehle, T.
Deposit date:2015-07-21
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Functional Analysis of Murine Polyomavirus Capsid Proteins Establish the Determinants of Ligand Recognition and Pathogenicity.
Plos Pathog., 11, 2015
4EE7
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BU of 4ee7 by Molmil
Crystal Structure of the Novel Phenazine Prenyltransferase EpzP in complex with S-thiolodiphosphate (methylated)
Descriptor: CHLORIDE ION, Prenyltransferase, SULFATE ION, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2012-03-28
Release date:2012-11-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-based engineering increased the catalytic turnover rate of a novel phenazine prenyltransferase.
Plos One, 7, 2012
4EQM
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BU of 4eqm by Molmil
Structural analysis of Staphylococcus aureus serine/threonine kinase PknB
Descriptor: BENZAMIDINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase
Authors:Rakette, S, Stehle, T.
Deposit date:2012-04-19
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of Staphylococcus aureus Serine/Threonine Kinase PknB.
Plos One, 7, 2012
4EE8
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BU of 4ee8 by Molmil
Crystal structure of the Novel Phenazine Prenyltransferase EpzP (wildtype)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, CHLORIDE ION, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2012-03-28
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-based engineering increased the catalytic turnover rate of a novel phenazine prenyltransferase.
Plos One, 7, 2012
6QJU
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BU of 6qju by Molmil
Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with 3-bromo-1H-indazol-5-amine
Descriptor: 1,2-ETHANEDIOL, 3-bromanyl-2~{H}-indazol-5-amine, Bromodomain-containing protein 3, ...
Authors:Braun, M.B, Stehle, T, Heidrich, J.
Deposit date:2019-01-25
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.202 Å)
Cite:Br-O-modomain (BRD3) halogen binding to a small molecule
To Be Published
6TSD
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BU of 6tsd by Molmil
Crystal structure of human coxsackievirus A24v in complex with pentavalent inhibitor ME0752
Descriptor: CALCIUM ION, CHLORIDE ION, Capsid protein VP1, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2019-12-20
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Pentavalent Sialic Acid Conjugates Block Coxsackievirus A24 Variant and Human Adenovirus Type 37-Viruses That Cause Highly Contagious Eye Infections.
Acs Chem.Biol., 15, 2020

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PDB entries from 2024-05-08

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