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5URO
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BU of 5uro by Molmil
Structure of a soluble epoxide hydrolase identified in Trichoderma reesei
Descriptor: 2,2'-oxydi(ethyn-1-ol), Predicted protein
Authors:Wilson, C, de Oliveira, G, Chambergo, F, Dias, M.V.B.
Deposit date:2017-02-11
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Structure of a soluble epoxide hydrolase identified in Trichoderma reesei.
Biochim. Biophys. Acta, 1865, 2017
1LE2
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BU of 1le2 by Molmil
STRUCTURAL BASIS FOR ALTERED FUNCTION IN THE COMMON MUTANTS OF HUMAN APOLIPOPROTEIN-E
Descriptor: APOLIPOPROTEIN E2
Authors:Wilson, C, Agard, D.A.
Deposit date:1991-08-22
Release date:1992-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Salt bridge relay triggers defective LDL receptor binding by a mutant apolipoprotein.
Structure, 2, 1994
1LPE
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BU of 1lpe by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE LDL RECEPTOR-BINDING DOMAIN OF HUMAN APOLIPOPROTEIN E
Descriptor: APOLIPOPROTEIN E3
Authors:Wilson, C, Agard, D.A.
Deposit date:1991-08-22
Release date:1992-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Three-dimensional structure of the LDL receptor-binding domain of human apolipoprotein E.
Science, 252, 1991
4UEU
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BU of 4ueu by Molmil
Tyrosine kinase AS - a common ancestor of Src and Abl
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL
Authors:Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D.
Deposit date:2014-12-18
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
6UNW
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BU of 6unw by Molmil
Epoxide hydrolase from an endophytic Streptomyces
Descriptor: CACODYLATE ION, CHLORIDE ION, Soluble epoxide hydrolase
Authors:Wilson, C, dos Santos, J.C, Dias, M.V.B.
Deposit date:2019-10-13
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity.
Acta Crystallogr D Struct Biol, 76, 2020
4CSV
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BU of 4csv by Molmil
Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR
Authors:Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D.
Deposit date:2014-03-10
Release date:2015-03-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
1LE4
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BU of 1le4 by Molmil
STRUCTURAL BASIS FOR ALTERED FUNCTION IN THE COMMON MUTANTS OF HUMAN APOLIPOPROTEIN-E
Descriptor: APOLIPOPROTEIN E4
Authors:Wilson, C, Agard, D.A.
Deposit date:1991-08-22
Release date:1992-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human apolipoprotein E. Role of arginine 61 in mediating the lipoprotein preferences of the E3 and E4 isoforms.
J.Biol.Chem., 269, 1994
1F1T
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BU of 1f1t by Molmil
CRYSTAL STRUCTURE OF THE MALACHITE GREEN APTAMER COMPLEXED WITH TETRAMETHYL-ROSAMINE
Descriptor: MALACHITE GREEN APTAMER RNA, N,N'-TETRAMETHYL-ROSAMINE, STRONTIUM ION
Authors:Baugh, C, Grate, D, Wilson, C.
Deposit date:2000-05-19
Release date:2000-09-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:2.8 A crystal structure of the malachite green aptamer.
J.Mol.Biol., 301, 2000
7KBT
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BU of 7kbt by Molmil
Factor VIII in complex with the anti-C2 domain antibody, G99
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ronayne, E.K, Gish, J, Wilson, C, Peters, S, Spencer, H.T, Spiegel, P.C, Childers, K.C.
Deposit date:2020-10-02
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structure of Blood Coagulation Factor VIII in Complex With an Anti-C2 Domain Non-Classical, Pathogenic Antibody Inhibitor
Front Immunol, 12, 2021
1Q8N
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BU of 1q8n by Molmil
Solution Structure of the Malachite Green RNA Binding Aptamer
Descriptor: MALACHITE GREEN, RNA Aptamer
Authors:Flinders, J, DeFina, S.C, Brackett, D.M, Baugh, C, Wilson, C, Dieckmann, T.
Deposit date:2003-08-21
Release date:2004-03-23
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Recognition of planar and nonplanar ligands in the malachite green-RNA aptamer complex.
Chembiochem, 5, 2004
1DDY
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BU of 1ddy by Molmil
MOLECULAR RECOGNITION BY THE VITAMIN B12 RNA APTAMER
Descriptor: COBALAMIN, METHYLAMINE, VITAMIN B12 BINDING RNA
Authors:Sussman, D, Nix, J.C, Wilson, C.
Deposit date:1999-11-12
Release date:2000-01-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structural basis for molecular recognition by the vitamin B 12 RNA aptamer.
Nat.Struct.Biol., 7, 2000
1ET4
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BU of 1et4 by Molmil
CRYSTAL STRUCTURE OF A VITAMIN B12 BINDING RNA APTAMER WITH LIGAND AT 2.3 A
Descriptor: CYANOCOBALAMIN, RNA APTAMER, 35-MER
Authors:Sussman, D, Wilson, C.
Deposit date:2000-04-12
Release date:2000-11-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A water channel in the core of the vitamin B(12) RNA aptamer.
Structure Fold.Des., 8, 2000
1F27
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BU of 1f27 by Molmil
CRYSTAL STRUCTURE OF A BIOTIN-BINDING RNA PSEUDOKNOT
Descriptor: BIOTIN, MAGNESIUM ION, RNA (5'-R(*AP*AP*AP*AP*AP*GP*UP*CP*CP*UP*C)-3'), ...
Authors:Nix, J, Sussman, D, Wilson, C.
Deposit date:2000-05-23
Release date:2000-06-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The 1.3 A crystal structure of a biotin-binding pseudoknot and the basis for RNA molecular recognition.
J.Mol.Biol., 296, 2000
4K4F
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BU of 4k4f by Molmil
Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide]
Descriptor: 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION
Authors:Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H.
Deposit date:2013-04-12
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
1J59
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BU of 1j59 by Molmil
CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
Descriptor: 5'-D(*AP*TP*AP*TP*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G )-3', 5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
Authors:Parkinson, G, Wilson, C, Gunasekera, A, Ebright, Y.W, Ebright, R.H, Berman, H.M.
Deposit date:2002-03-01
Release date:2002-03-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the CAP-DNA complex at 2.5 angstroms resolution: a complete picture of the protein-DNA interface.
J.Mol.Biol., 260, 1996
7M7V
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BU of 7m7v by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6
Descriptor: 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2021-03-29
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target.
J.Med.Chem., 65, 2022
8Q0T
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BU of 8q0t by Molmil
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
Descriptor: 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, Polyketide synthase Pks13
Authors:Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B.
Deposit date:2023-07-29
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
8Q0U
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BU of 8q0u by Molmil
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
Descriptor: Polyketide synthase Pks13, SULFATE ION, ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
Authors:Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B.
Deposit date:2023-07-29
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
8Q17
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BU of 8q17 by Molmil
Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity
Descriptor: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ...
Authors:Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B.
Deposit date:2023-07-30
Release date:2023-11-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
8OS5
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BU of 8os5 by Molmil
Crystal structure of the Factor XII heavy chain reveals an interlocking dimer with a FnII to kringle domain interaction
Descriptor: Coagulation factor XII-Mie
Authors:Li, C, Saleem, M, Kaira, B.G, Brown, A, Wilson, C, Philippou, H, Emsley, J.
Deposit date:2023-04-18
Release date:2024-03-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Factor XII and kininogen asymmetric assembly with gC1qR/C1QBP/P32 is governed by allostery.
Blood, 136, 2020
5G3Y
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BU of 5g3y by Molmil
Crystal structure of adenylate kinase ancestor 1 with Zn and ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ZINC ION
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G40
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BU of 5g40 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ...
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
4L7S
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BU of 4l7s by Molmil
Kinase domain mutant of human Itk in complex with an aminobenzothiazole inhibitor
Descriptor: SULFATE ION, Tyrosine-protein kinase ITK/TSK, trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol
Authors:Somers, D.O.
Deposit date:2013-06-14
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.
ACS Med Chem Lett, 4, 2013
5G3Z
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BU of 5g3z by Molmil
Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound
Descriptor: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G41
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BU of 5g41 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn, Mg and Ap5A bound
Descriptor: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017

 

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