7KMV
 
 | | Structure of Malaysian Banana Lectin F84T | | 分子名称: | Jacalin-type lectin domain-containing protein, SULFATE ION | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2020-11-03 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Targeted disruption of pi-pi stacking in Malaysian banana lectin reduces mitogenicity while preserving antiviral activity.
Sci Rep, 11, 2021
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3SW4
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3SPF
 | | Crystal Structure of Bcl-xL bound to BM501 | | 分子名称: | 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2011-07-01 | | 公開日 | 2012-06-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold.
J.Med.Chem., 55, 2012
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6U9K
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | | 分子名称: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2019-09-09 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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6U6F
 | | The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21 | | 分子名称: | 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | 著者 | Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z. | | 登録日 | 2019-08-29 | | 公開日 | 2020-03-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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6U9N
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2019-09-09 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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6U9R
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140) | | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2019-09-09 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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3SP7
 | | Crystal Structure of Bcl-xL bound to BM903 | | 分子名称: | 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ... | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2011-07-01 | | 公開日 | 2012-07-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors
To be Published
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6U9M
 | | MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109) | | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2019-09-09 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
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3SW7
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3TWF
 | | Crystal structure of the de novo designed fluorinated peptide alpha4F3a | | 分子名称: | ACETYL GROUP, SODIUM ION, TRIETHYLENE GLYCOL, ... | | 著者 | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | | 登録日 | 2011-09-21 | | 公開日 | 2012-03-14 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TWE
 | | Crystal Structure of the de novo designed peptide alpha4H | | 分子名称: | ACETYL GROUP, TRIETHYLENE GLYCOL, alpha4H | | 著者 | Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G. | | 登録日 | 2011-09-21 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Structural basis for the enhanced stability of highly fluorinated proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TWG
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6CJF
 | | Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43 | | 分子名称: | 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2018-02-26 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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6DHS
 | | Structure of hnRNP H qRRM1,2 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein H | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2018-05-21 | | 公開日 | 2018-09-12 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H.
J. Am. Chem. Soc., 2018
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6DS9
 | | Elongated version of a de novo designed three helix bundle structure (GRa3D) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, THIOCYANATE ION, ... | | 著者 | Koebke, K.J, Ruckthong, L.R, Meagher, J.L, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2018-06-13 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | Clarifying the Copper Coordination Environment in a de Novo Designed Red Copper Protein.
Inorg Chem, 57, 2018
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6EGN
 | | Crystal Structure of a Three-stranded Coiled Coil Peptide Containing a Trigonal Planar Hg(II)S3 Site Modified by D-Leu in the Second Coordination Sphere | | 分子名称: | CHLORIDE ION, Hg(II)(GRAND CoilSerL16CL19(DLE))3-, MERCURY (II) ION, ... | | 著者 | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | 登録日 | 2018-08-20 | | 公開日 | 2019-04-03 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation.
Chemistry, 25, 2019
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6EGO
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6EGM
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6EGL
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6EGP
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6CJG
 | | Human dihydroorotate dehydrogenase bound to napthyridine inhibitor 46 | | 分子名称: | 2-([1,1'-biphenyl]-4-yl)-3-methyl-1,7-naphthyridine-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Petrunak, E.M, Stuckey, J.A. | | 登録日 | 2018-02-26 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.851 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
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4PIK
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4PG1
 | | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound | | 分子名称: | (1S,2S)-2-nonylcyclopropanecarboxylic acid, Aldehyde decarbonylase, DIMETHYL SULFOXIDE, ... | | 著者 | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | | 登録日 | 2014-05-01 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
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4PGI
 | | Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound | | 分子名称: | 1,2-ETHANEDIOL, 11-[2-(2-ethoxyethoxy)ethoxy]undecanal, Aldehyde decarbonylase, ... | | 著者 | Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G. | | 登録日 | 2014-05-02 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
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