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5TXJ
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BU of 5txj by Molmil
Polymorphic form 1 of amyloid-beta derived peptide - IFAEDV
Descriptor: amyloid-beta derived peptide
Authors:Sangwan, S, Sawaya, M.R, Eisenberg, D.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Distal amyloid beta-protein fragments template amyloid assembly.
Protein Sci., 27, 2018
5LPO
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BU of 5lpo by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one
Descriptor: 1,2-ETHANEDIOL, 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one, GLYCEROL, ...
Authors:Ehrmann, F.R, Heine, A, Klebe, G.
Deposit date:2016-08-14
Release date:2017-08-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer
To be published
2MKL
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BU of 2mkl by Molmil
Solution structure of the fourth constant immunoglobulin domain of nurse shark IgNAR
Descriptor: Novel antigen receptor
Authors:Hennig, J, Sattler, M.
Deposit date:2014-02-10
Release date:2014-07-02
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins.
Proc.Natl.Acad.Sci.USA, 111, 2014
6LUO
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BU of 6luo by Molmil
Structure of nurse shark beta-2-microglobulin
Descriptor: Beta-2-microglobulin
Authors:Xia, C, Wu, Y.
Deposit date:2020-01-30
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:The Structure of a Peptide-Loaded Shark MHC Class I Molecule Reveals Features of the Binding between beta 2 -Microglobulin and H Chain Conserved in Evolution.
J Immunol., 2021
6LUP
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BU of 6lup by Molmil
Crystal structure of shark MHC CLASS I for 2.3 angstrom
Descriptor: Beta-2-microglobulin, MHC class I protein, PHE-ALA-ASN-PHE-PHE-ILE-ARG-GLY-LEU
Authors:Wu, Y, Xia, C.
Deposit date:2020-01-30
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:The Structure of a Peptide-Loaded Shark MHC Class I Molecule Reveals Features of the Binding between beta 2 -Microglobulin and H Chain Conserved in Evolution.
J Immunol., 2021
8JBW
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BU of 8jbw by Molmil
Crystal structure of ZtHPPD-(+)-Usnic acid complex
Descriptor: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-05-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.
J.Agric.Food Chem., 71, 2023
4HTB
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BU of 4htb by Molmil
tRNA-guanine transglycosylase Y330C mutant in space group C2
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, ZINC ION, ...
Authors:Jakobi, S, Klebe, G.
Deposit date:2012-11-01
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:What Glues a Homodimer Together: Systematic Analysis of the Stabilizing Effect of an Aromatic Hot Spot in the Protein-Protein Interface of the tRNA-Modifying Enzyme Tgt.
Acs Chem.Biol., 10, 2015
4FPS
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BU of 4fps by Molmil
tRNA-Guanine Transglycosylase in complex with adamantyl-substituted lin-benzoguanine ligand
Descriptor: 6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Immekus, F, Klebe, G.
Deposit date:2012-06-22
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Studies on TGT homodimer interface
To be Published
4FR6
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BU of 4fr6 by Molmil
tRNA-Guanine Transglycosylase cocrystallized with pyridyl-alkine-substituted lin-benzoguanine ligand
Descriptor: 6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Immekus, F, Klebe, G.
Deposit date:2012-06-26
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Studies on TGT homodimer interface
To be Published
4FR1
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BU of 4fr1 by Molmil
tRNA-Guanine Transglycosylase cocrystallized with alkine-substituted lin-benzoguanine ligand
Descriptor: 6-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Immekus, F, Klebe, G.
Deposit date:2012-06-26
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Studies on TGT homodimer interface
To be Published
4FSA
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BU of 4fsa by Molmil
tRNA-Guanine Transglycosylase soaked with pyridyl-alkine-substituted lin-benzoguanine ligand
Descriptor: 6-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Immekus, F, Klebe, G.
Deposit date:2012-06-27
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Studies on TGT homodimer interface
To be Published
4GI4
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BU of 4gi4 by Molmil
tRNA Guanine Transglycosylase in complex with disubstituted lin-benzoguanine inhibitor
Descriptor: 6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Immekus, F, Klebe, G.
Deposit date:2012-08-08
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Two-armed benzopurine inhibitors of TGT
To be Published
4GG9
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BU of 4gg9 by Molmil
tRNA Guanine Transglycosylase in complex with thiophene-substituted lin-benzohypoxanthine inhibitor
Descriptor: 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Immekus, F, Klebe, G.
Deposit date:2012-08-06
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Two-armed benzopurine inhibitors of TGT
To be Published
3UVI
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BU of 3uvi by Molmil
tRNA-guanine transglycosylase C158S C281S W326E E339Q mutant
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Jakobi, S, Heine, A, Klebe, G.
Deposit date:2011-11-30
Release date:2012-11-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Hot-spot analysis to dissect the functional protein-protein interface of a tRNA-modifying enzyme.
Proteins, 82, 2014
2I24
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BU of 2i24 by Molmil
Crystal structure analysis of the nurse shark New Antigen Receptor PBLA8 variable domain
Descriptor: CHLORIDE ION, New Antigen Receptor PBLA8
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2006-08-15
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Maturation of Shark Single-domain (IgNAR) Antibodies: Evidence for Induced-fit Binding
J.Mol.Biol., 367, 2007
2I27
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BU of 2i27 by Molmil
Crystal Structure Analysis of the Nurse Shark New Antigen Receptor Ancestral variable domain
Descriptor: New Antigen Receptor Ancestral
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2006-08-15
Release date:2007-03-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Maturation of Shark Single-domain (IgNAR) Antibodies: Evidence for Induced-fit Binding.
J.Mol.Biol., 367, 2007
1S38
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BU of 1s38 by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE
Descriptor: 2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE, ZINC ION, tRNA guanine transglycosylase
Authors:Meyer, E.A, Furler, M, Diederich, F, Brenk, R, Klebe, G.
Deposit date:2004-01-12
Release date:2004-07-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Synthesis and In vitro Evaluation of 2-Aminoquinazolin-4(3H)-one-based Inhibitors for tRNA-Guanine Transglycosylase (TGT)
HELV.CHIM.ACTA, 87, 2004
1S39
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BU of 1s39 by Molmil
CRYSTAL STRUCTURE OF TGT IN COMPLEX WITH 2-aminoquinazolin-4(3H)-one
Descriptor: 2-AMINOQUINAZOLIN-4(3H)-ONE, ZINC ION, tRNA guanine transglycosylase
Authors:Brenk, R, Meyer, E.A, Reuter, K, Garcia, G.A, Stubbs, M.T, Klebe, G.
Deposit date:2004-01-12
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Synthesis and In Vitro Evaluation of 2-Aminoquinazolin-4(3H)-one-Based Inhibitors for tRNA-Guanine Transglycosylase (TGT)
HELV.CHIM.ACTA, 87, 2004
3I2X
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BU of 3i2x by Molmil
Crystal structure of a chimeric trypsin inhibitor having reactive site loop of ETI on the scaffold of WCI
Descriptor: Chymotrypsin inhibitor 3
Authors:Sen, U, Khamrui, S, Dasgupta, J, Dattagupta, J.K, Majumder, S.
Deposit date:2009-06-30
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of a novel set of scaffolding residues that are instrumental for the inhibitory property of Kunitz (STI) inhibitors.
Protein Sci., 19, 2010
2Z7K
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BU of 2z7k by Molmil
tRNA-Guanine transglycosylase (TGT) in complex with 2-Amino-lin-Benzoguanine
Descriptor: 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Ritschel, T, Heine, A, Klebe, G.
Deposit date:2007-08-24
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT
Chembiochem, 10, 2009
3C2Y
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BU of 3c2y by Molmil
tRNA-Guanine Transglycosylase (TGT) in complex with 6-Amino-2-methyl-1,7-dihydro-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Ritschel, T, Heine, A, Klebe, G.
Deposit date:2008-01-26
Release date:2009-02-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT
Chembiochem, 10, 2009
3GE7
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BU of 3ge7 by Molmil
tRNA-guanine transglycosylase in complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Ritschel, T, Heine, A, Klebe, G.
Deposit date:2009-02-25
Release date:2009-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase
Chemmedchem, 4, 2009
3HFY
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BU of 3hfy by Molmil
Mutant of tRNA-guanine transglycosylase (K52M)
Descriptor: Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Ritschel, T, Klebe, G.
Deposit date:2009-05-13
Release date:2009-08-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:An Integrative Approach Combining Noncovalent Mass Spectrometry, Enzyme Kinetics and X-ray Crystallography to Decipher Tgt Protein-Protein and Protein-RNA Interaction
J.Mol.Biol., 393, 2009
2K95
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BU of 2k95 by Molmil
Solution structure of the wild-type P2B-P3 pseudoknot of human telomerase RNA
Descriptor: Telomerase RNA P2b-P3 pseudoknot
Authors:Kim, N.-K, Zhang, Q, Zhou, J, Theimer, C.A, Peterson, R.D, Feigon, J.
Deposit date:2008-09-29
Release date:2008-11-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution Structure and Dynamics of the Wild-type Pseudoknot of Human Telomerase RNA.
J.Mol.Biol., 384, 2008
3CI2
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BU of 3ci2 by Molmil
REFINEMENT OF THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF BARLEY SERINE PROTEINASE INHIBITOR 2 AND COMPARISON WITH THE STRUCTURES IN CRYSTALS
Descriptor: CHYMOTRYPSIN INHIBITOR 2
Authors:Poulsen, F.M.
Deposit date:1991-09-10
Release date:1993-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Refinement of the three-dimensional solution structure of barley serine proteinase inhibitor 2 and comparison with the structures in crystals.
J.Mol.Biol., 222, 1991

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