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5TT3
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BU of 5tt3 by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with ethoxzolamide
Descriptor: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ...
Authors:Modak, J.K, Roujeinikova, A.
Deposit date:2016-11-01
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase.
J. Med. Chem., 59, 2016
6IGI
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BU of 6igi by Molmil
Crystal structure of FT condition 2
Descriptor: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
Authors:Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
Deposit date:2018-09-25
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6IGH
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BU of 6igh by Molmil
Crystal structure of FT condition3
Descriptor: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
Authors:Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
Deposit date:2018-09-25
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6IGG
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BU of 6igg by Molmil
Crystal structure of FT condition 1
Descriptor: 1,2-ETHANEDIOL, Protein FLOWERING LOCUS T
Authors:Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
Deposit date:2018-09-25
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
6IGJ
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BU of 6igj by Molmil
Crystal structure of FT condition 4
Descriptor: MAGNESIUM ION, Protein FLOWERING LOCUS T
Authors:Watanabe, S, Nakamura, Y, Kanehara, K, Inaba, K.
Deposit date:2018-09-25
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:High-Resolution Crystal Structure of Arabidopsis FLOWERING LOCUS T Illuminates Its Phospholipid-Binding Site in Flowering.
Iscience, 21, 2019
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Chen, S.J, Ye, F.
Deposit date:2016-08-31
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
5GUV
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BU of 5guv by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D
Descriptor: DNA (cytosine-5)-methyltransferase 1, ZINC ION
Authors:Ye, F, Chen, S.J.
Deposit date:2016-08-31
Release date:2017-08-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.078 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
6CLW
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BU of 6clw by Molmil
Crystal structure of TnmH
Descriptor: O-methyltransferase
Authors:Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B.
Deposit date:2018-03-02
Release date:2019-03-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
6CLX
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BU of 6clx by Molmil
Crystal structure of TnmH in complex with SAM
Descriptor: O-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B.
Deposit date:2018-03-02
Release date:2019-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
Descriptor: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
Authors:Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
Deposit date:2014-06-30
Release date:2015-07-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
3KXF
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BU of 3kxf by Molmil
Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
Deposit date:2009-12-03
Release date:2010-06-09
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 107, 2010
3KWW
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BU of 3kww by Molmil
Crystal structure of the 'restriction triad' mutant of HLA B*3508, beta-2-microglobulin and EBV peptide
Descriptor: ACETIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
Deposit date:2009-12-01
Release date:2010-06-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 2010
6K80
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BU of 6k80 by Molmil
Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Complex with CoA and Tryptophol
Descriptor: 2-(1H-indol-3-yl)ethanol, ACETYL COENZYME *A, Dopamine N-acetyltransferase
Authors:Wu, C.Y, Hu, I.C, Yang, Y.C, Cheng, H.C, Lyu, P.C.
Deposit date:2019-06-11
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase.
Commun Biol, 3, 2020
3SKO
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BU of 3sko by Molmil
Crystal structure of the HLA-B8-A66-FLR, mutant A66 of the HLA B8
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SKM
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BU of 3skm by Molmil
Crystal structure of the HLA-B8FLRGRAYVL, mutant G8V of the FLR peptide
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SKN
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BU of 3skn by Molmil
Crystal structure of the RL42 TCR unliganded
Descriptor: RL42 T cell receptor, alpha chain, beta chain
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SJV
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BU of 3sjv by Molmil
Crystal structure of the RL42 TCR in complex with HLA-B8-FLR
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
4Q38
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BU of 4q38 by Molmil
The crystal structure of acyltransferase in complex with decanoyl-CoA and teicoplanin
Descriptor: 2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose, COENZYME A, Putative uncharacterized protein tcp24, ...
Authors:Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J.
Deposit date:2014-04-11
Release date:2014-09-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
4Q36
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BU of 4q36 by Molmil
The crystal structure of acyltransferase in complex with octanoyl-CoA and teicoplanin
Descriptor: 2-amino-2-deoxy-beta-D-glucopyranose, OCTANOYL-COENZYME A, Putative uncharacterized protein tcp24, ...
Authors:Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J.
Deposit date:2014-04-11
Release date:2014-09-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
4RI1
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BU of 4ri1 by Molmil
Crystal structure of Helicobacter pylori pseudaminic acid biosynthesis N -acetyltransferase PseH complex with acetyl-coA
Descriptor: ACETATE ION, ACETYL COENZYME *A, UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine N-acetyltransferase
Authors:Roujeinikova, A, Ud-Din, A.I.
Deposit date:2014-10-04
Release date:2015-04-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Helicobacter pylori Pseudaminic Acid Biosynthesis N-Acetyltransferase PseH: Implications for Substrate Specificity and Catalysis.
Plos One, 10, 2015
5XRY
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BU of 5xry by Molmil
Crystal Structure of Transketolase contains cysteinesufonic acid from Pichia Stipitis
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Transketolase
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-10
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XSA
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BU of 5xsa by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate III from Pichia Stipitis
Descriptor: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, Transketolase
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-13
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.975 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XSM
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BU of 5xsm by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate IV from Pichia Stipitis
Descriptor: 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-14
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018

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