8F20
 
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5OVX
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6XSW
 | | Structure of the Notch3 NRR in complex with an antibody Fab Fragment | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-N3 Fab Heavy Chain, ... | | 著者 | Bard, J. | | 登録日 | 2020-07-16 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | | 主引用文献 | NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
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6MB4
 | | Binary (sisomicin) structure of AAC-IIIb | | 分子名称: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aac(3)-IIIb protein | | 著者 | Cuneo, M.J, Kumar, P. | | 登録日 | 2018-08-29 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | | 主引用文献 | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
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6MB6
 | | AAC-IIIb binary with CoASH | | 分子名称: | Aac(3)-IIIb protein, COENZYME A, MALONATE ION | | 著者 | Cuneo, M.J, Kumar, P. | | 登録日 | 2018-08-29 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
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8FDP
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7T2X
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide | | 分子名称: | Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate | | 著者 | Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W. | | 登録日 | 2021-12-06 | | 公開日 | 2022-06-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core.
Acs Med.Chem.Lett., 13, 2022
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8F94
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8FDR
 | | Structure of a dodecamer complex: 5'-CGCGAAAAGCCG-3-DB1476 | | 分子名称: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*TP*TP*TP*CP*GP*CP*G)-3'), ... | | 著者 | Ogbonna, E, Wilson, W.D. | | 登録日 | 2022-12-04 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
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8FDQ
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8FB4
 | | Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3 | | 分子名称: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3') | | 著者 | Terrell, J.R, Ogbonna, E.N, Wilson, W.D. | | 登録日 | 2022-11-29 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
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6MB5
 | | AAC-IIIb binary with NEOMYCIN | | 分子名称: | Aac(3)-IIIb protein, NEOMYCIN | | 著者 | Cuneo, M.J, Kumar, P. | | 登録日 | 2018-08-29 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
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6MB7
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6MB9
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6MB8
 | | Apo structure of AAC-IIIb | | 分子名称: | Aac(3)-IIIb protein, CHLORIDE ION | | 著者 | Cuneo, M.J, Kumar, P. | | 登録日 | 2018-08-29 | | 公開日 | 2018-11-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
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5IXY
 | | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | | 分子名称: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Chen, Z, Eigenbrot, C. | | 登録日 | 2016-03-23 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016
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6N1S
 | | Toxoplasma gondii TS-DHFR in complex with selective inhibitor 29 | | 分子名称: | 1,2-ETHANEDIOL, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | | 著者 | Hopper, A.T, Brockman, A, Wise, A, Gould, J, Barks, J, Radke, J.B, Sibley, L.D, Zou, Y, Thomas, S.B. | | 登録日 | 2018-11-11 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis.
J. Med. Chem., 62, 2019
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5J7S
 | | Crystal structure of SM1-71 bound to TAK1-TAB1 | | 分子名称: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide | | 著者 | Gurbani, D, Westover, K.D. | | 登録日 | 2016-04-06 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.368 Å) | | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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5J9L
 | | Crystal structure of CPT1691 bound to TAK1-TAB1 | | 分子名称: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | | 著者 | Gurbani, D, Westover, K.D. | | 登録日 | 2016-04-10 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7515 Å) | | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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7TY3
 | | Crystal Structure of SETD2 Bound to an Indole-based Inhibitor | | 分子名称: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETD2, N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, ... | | 著者 | Farrow, N.A. | | 登録日 | 2022-02-11 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
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7TY2
 | | Crystal Structure of SETD2 Bound to an Indole-based Inhibitor | | 分子名称: | Histone-lysine N-methyltransferase SETD2, N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, ... | | 著者 | Farrow, N.A. | | 登録日 | 2022-02-11 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.438 Å) | | 主引用文献 | Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
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6NGT
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,6-difluorophenethyl)-4-methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.942 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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6NGN
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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6NGR
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2018-12-21 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.819 Å) | | 主引用文献 | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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5J8I
 | | Crystal structure of TL11-113 bound to TAK1-TAB1 | | 分子名称: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | 著者 | Gurbani, D, Westover, K.D. | | 登録日 | 2016-04-07 | | 公開日 | 2017-02-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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