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7TXT
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BU of 7txt by Molmil
Structure of human serotonin transporter bound to small molecule '8090 in lipid nanodisc and NaCl
Descriptor: 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine, 15B8 Fab heavy chain, 15B8 Fab light chain, ...
Authors:Singh, I, Seth, A, Billesboelle, C.B, Braz, J, Rodriguiz, R.M, Roy, K, Bekele, B, Craik, V, Huang, X.P, Boytsov, D, Lak, P, O'Donnell, H, Sandtner, W, Roth, B.L, Basbaum, A.I, Wetsel, W.C, Manglik, A, Shoichet, B.K, Rudnick, G.
Deposit date:2022-02-09
Release date:2023-03-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based discovery of conformationally selective inhibitors of the serotonin transporter.
Cell, 186, 2023
2OXB
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BU of 2oxb by Molmil
Crystal structure of a cell-wall invertase (E203Q) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Lammens, W, Le Roy, K, Van Laere, A, Van den Ende, W, Rabijns, A.
Deposit date:2007-02-20
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An alternate sucrose binding mode in the E203Q Arabidopsis invertase mutant: An X-ray crystallography and docking study.
Proteins, 71, 2007
2QQU
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BU of 2qqu by Molmil
Crystal structure of a cell-wall invertase (D239A) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ...
Authors:Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W.
Deposit date:2007-07-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
2QQW
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Crystal structure of a cell-wall invertase (D23A) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ...
Authors:Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W.
Deposit date:2007-07-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
2QQV
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BU of 2qqv by Molmil
Crystal structure of a cell-wall invertase (E203A) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ...
Authors:Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W.
Deposit date:2007-07-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
2AC1
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BU of 2ac1 by Molmil
Crystal structure of a cell-wall invertase from Arabidopsis thaliana
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Verhaest, M, Le Roy, K, De Ranter, C, Van Laere, A, Van den Ende, W, Rabijns, A.
Deposit date:2005-07-18
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray diffraction structure of a cell-wall invertase from Arabidopsis thaliana.
Acta Crystallogr.,Sect.D, 62, 2006
2AEY
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BU of 2aey by Molmil
Crystal structure of fructan 1-exohydrolase IIa from Cichorium intybus in complex with 2,5 dideoxy-2,5-immino-D-mannitol
Descriptor: 2,5-DIDEOXY-2,5-IMINO-D-MANNITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Verhaest, M, Le Roy, K, De Ranter, C.J, Van Laere, A, Van den Ende, W, Rabijns, A.
Deposit date:2005-07-25
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Insights into the fine architecture of the active site of chicory fructan 1-exohydrolase: 1-kestose as substrate vs sucrose as inhibitor.
New Phytol, 174, 2007
2AEZ
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BU of 2aez by Molmil
Crystal structure of fructan 1-exohydrolase IIa (E201Q) from Cichorium intybus in complex with 1-kestose
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-fructofuranose-(2-1)-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Verhaest, M, Lammens, W, Le Roy, K, De Ranter, C.J, Van Laere, A, Van den Ende, W, Rabijns, A.
Deposit date:2005-07-25
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Insights into the fine architecture of the active site of chicory fructan 1-exohydrolase: 1-kestose as substrate vs sucrose as inhibitor.
New Phytol, 174, 2007
2ADD
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BU of 2add by Molmil
Crystal structure of fructan 1-exohydrolase IIa from Cichorium intybus in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, ...
Authors:Verhaest, M, Le Roy, K, De Ranter, C.J, Van Laere, A, Van den Ende, W, Rabijns, A.
Deposit date:2005-07-20
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the fine architecture of the active site of chicory fructan 1-exohydrolase: 1-kestose as substrate vs sucrose as inhibitor.
New Phytol, 174, 2007
2ADE
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BU of 2ade by Molmil
Crystal structure of fructan 1-exohydrolase IIa from Cichorium intybus in complex with fructose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-fructofuranose, ...
Authors:Verhaest, M, Le Roy, K, De Ranter, C.J, Van Laere, A, Van den Ende, W, Rabijns, A.
Deposit date:2005-07-20
Release date:2006-08-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Insights into the fine architecture of the active site of chicory fructan 1-exohydrolase: 1-kestose as substrate vs sucrose as inhibitor.
New Phytol, 174, 2007
2AKR
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BU of 2akr by Molmil
Structural basis of sulfatide presentation by mouse CD1d
Descriptor: (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zajonc, D.M, Halder, R, Wu, D, Maricic, I, Roy, K, Wong, C.-H, Kumar, V, Wilson, I.A.
Deposit date:2005-08-03
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for CD1d presentation of a sulfatide derived from myelin and its implications for autoimmunity
J.Exp.Med., 202, 2005
2LBS
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BU of 2lbs by Molmil
Solution structure of double-stranded RNA binding domain of S. cerevisiae RNase III (Rnt1p) in complex with AAGU tetraloop hairpin
Descriptor: RNA (32-MER), Ribonuclease 3
Authors:Wang, Z, Hartman, E, Roy, K, Chanfreau, G, Feigon, J.
Deposit date:2011-04-06
Release date:2011-08-31
Method:SOLUTION NMR
Cite:Structure of a Yeast RNase III dsRBD Complex with a Noncanonical RNA Substrate Provides New Insights into Binding Specificity of dsRBDs.
Structure, 19, 2011
2LUQ
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BU of 2luq by Molmil
Solution structure of double-stranded RNA binding domain of S.cerevisiae RNase III (rnt1p)
Descriptor: Ribonuclease 3
Authors:Wang, Z, Feigon, J.
Deposit date:2012-06-19
Release date:2012-12-05
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Intrinsic Dynamics of an Extended Hydrophobic Core in the S. cerevisiae RNase III dsRBD Contributes to Recognition of Specific RNA Binding Sites.
J.Mol.Biol., 425, 2013
8I67
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BU of 8i67 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 2,4-Thiazolidinedione, Form I
Descriptor: 1,2-ETHANEDIOL, 1,3-thiazolidine-2,4-dione, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I63
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BU of 8i63 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form III
Descriptor: 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I6B
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BU of 8i6b by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form I
Descriptor: 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, ...
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I66
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BU of 8i66 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I
Descriptor: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, CITRIC ACID, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I61
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BU of 8i61 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid and Citric acid, Form I
Descriptor: 1,2-ETHANEDIOL, BARBITURIC ACID, CITRIC ACID, ...
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I65
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BU of 8i65 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I
Descriptor: 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I68
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BU of 8i68 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III
Descriptor: 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I6A
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BU of 8i6a by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III
Descriptor: 1,2-ETHANEDIOL, OROTIC ACID, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I64
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BU of 8i64 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II
Descriptor: 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I62
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BU of 8i62 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I
Descriptor: 1,2-ETHANEDIOL, BARBITURIC ACID, CHLORIDE ION, ...
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I6C
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BU of 8i6c by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III
Descriptor: 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023
8I69
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BU of 8i69 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Fluoroorotic acid and Citric acid, Form I
Descriptor: 1,2-ETHANEDIOL, 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CITRIC ACID, ...
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment
Eur.J.Med.Chem., 258, 2023

 

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