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5ZZ4
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BU of 5zz4 by Molmil
Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e
分子名称: N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
著者Kawahata, W, Asami, T, Irie, T, Kiyoi, T, Taniguchi, H, Asamitsu, Y, Inoue, T, Miyake, T, Sawa, M.
登録日2018-05-30
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis.
J. Med. Chem., 61, 2018
5YZ7
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BU of 5yz7 by Molmil
Crystal structure of OsD14 in complex with D-ring-opened 7'-carba-4BD
分子名称: (2Z,4S)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid, Strigolactone esterase D14
著者Hirabayashi, K, Jiang, K, Xu, Y, Miyakawa, T, Asami, T, Tanokura, M.
登録日2017-12-13
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Rationally Designed Strigolactone Analogs as Antagonists of the D14 Receptor.
Plant Cell Physiol., 59, 2018
7VKA
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BU of 7vka by Molmil
Crystal Structure of GH3.6 in complex with an inhibitor
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, Indole-3-acetic acid-amido synthetase GH3.6, ...
著者Wang, N, Luo, M, Bao, H, Huang, H.
登録日2021-09-29
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8K4Z
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BU of 8k4z by Molmil
Crystal structure of human MMP-7 in complex with inhibitor
分子名称: CALCIUM ION, CHLORIDE ION, IODIDE ION, ...
著者Kamitani, M, Mima, M, Oka, Y.
登録日2023-07-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of TP0628103: A Selective MMP-7 Inhibitor Based on the Mitigation of OATP Substrate Recognition through Isoelectric Point Shift Strategy
To Be Published
5DNW
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BU of 5dnw by Molmil
Crystal structure of KAI2-like protein from Striga (apo state 1)
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, SODIUM ION, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2015-09-10
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
5DNU
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BU of 5dnu by Molmil
Crystal structure of Striga KAI2-like protein in complex with karrikin
分子名称: 1,2-ETHANEDIOL, 3-methyl-2H-furo[2,3-c]pyran-2-one, BENZOIC ACID, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2015-09-10
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
5DNV
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BU of 5dnv by Molmil
Crystal structure of KAI2-like protein from Striga (apo state 2)
分子名称: BENZOIC ACID, FORMIC ACID, ShKAI2iB
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2015-09-10
公開日2016-08-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis of unique ligand specificity of KAI2-like protein from parasitic weed Striga hermonthica
Sci Rep, 6, 2016
8K5V
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BU of 8k5v by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
分子名称: 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
著者Kamitani, M, Mima, M, Nishikawa-Shimono, R.
登録日2023-07-24
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5Y
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BU of 8k5y by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
分子名称: (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
著者Kamitani, M, Mima, M, Nishikawa-Shimono, R.
登録日2023-07-24
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5W
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BU of 8k5w by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
分子名称: 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
著者Kamitani, M, Mima, M, Nishikawa-Shimono, R.
登録日2023-07-24
公開日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5X
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BU of 8k5x by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
分子名称: (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
著者Kamitani, M, Mima, M, Nishikawa-Shimono, R.
登録日2023-07-24
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
7C8L
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BU of 7c8l by Molmil
Hybrid designing of potent inhibitors of Striga strigolactone receptor ShHTL7
分子名称: 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, GLYCEROL, Hyposensitive to light 7, ...
著者Shahul Hameed, U.F, Arold, S.T.
登録日2020-06-02
公開日2021-06-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Rational design of Striga hermonthica-specific seed germination inhibitors.
Plant Physiol., 188, 2022
3VXK
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BU of 3vxk by Molmil
Crystal structure of OsD14
分子名称: Dwarf 88 esterase
著者Xue, Y.-L, Miyakawa, T, Hou, F, Qin, H.-M, Tanokura, M.
登録日2012-09-18
公開日2013-09-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular mechanism of strigolactone perception by DWARF14
Nat Commun, 4, 2013
3WIO
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BU of 3wio by Molmil
Crystal structure of OSD14 in complex with hydroxy D-ring
分子名称: (5R)-5-hydroxy-3-methylfuran-2(5H)-one, Probable strigolactone esterase D14
著者Xue, Y.-L, Miyakawa, T, Hou, F, Qin, H.-M, Tanokura, M.
登録日2013-09-22
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of strigolactone perception by DWARF14
Nat Commun, 4, 2013
5Z7Y
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BU of 5z7y by Molmil
Crystal structure of Striga hermonthica HTL7 (ShHTL7)
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Hyposensitive to light 7, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2018-01-30
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
5Z7Z
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BU of 5z7z by Molmil
Crystal structure of Striga hermonthica Dwarf14 (ShD14)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dwarf 14, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2018-01-30
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
5Z7W
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BU of 5z7w by Molmil
Crystal structure of Striga hermonthica HTL1 (ShHTL1)
分子名称: GLYCEROL, Hyposensitive to light 1, MAGNESIUM ION, ...
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2018-01-30
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
5Z7X
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BU of 5z7x by Molmil
Crystal structure of Striga hermonthica HTL4 (ShHTL4)
分子名称: 1,2-ETHANEDIOL, Hyposensitive to light 4, MAGNESIUM ION
著者Xu, Y, Miyakawa, T, Nakamura, A, Tanokura, M.
登録日2018-01-30
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Structural analysis of HTL and D14 proteins reveals the basis for ligand selectivity in Striga.
Nat Commun, 9, 2018
5ZD4
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BU of 5zd4 by Molmil
Crystal structure of MBP-fused BIL1/BZR1 in complex with double-stranded DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*CP*AP*CP*GP*TP*GP*TP*GP*AP*AP*A)-3'), Maltose-binding periplasmic protein,Protein BRASSINAZOLE-RESISTANT 1, ...
著者Nosaki, S, Miyakawa, T, Xu, Y, Nakamura, A, Hirabayashi, K, Tanokura, M.
登録日2018-02-22
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural basis for brassinosteroid response by BIL1/BZR1.
Nat Plants, 4, 2018
5ZHS
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BU of 5zhs by Molmil
Crystal structure of OsD14 in complex with covalently bound KK052
分子名称: (4-phenylpiperazin-1-yl)(1H-1,2,3-triazol-1-yl)methanone, Strigolactone esterase D14
著者Hirabayashi, K, Miyakawa, T, Tanokura, M.
登録日2018-03-13
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses.
Mol Plant, 12, 2019
5ZHT
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BU of 5zht by Molmil
Crystal structure of OsD14 in complex with covalently bound KK073
分子名称: (1H-1,2,3-triazol-1-yl){4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone, Strigolactone esterase D14
著者Hirabayashi, K, Miyakawa, T, Tanokura, M.
登録日2018-03-13
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.532 Å)
主引用文献Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses.
Mol Plant, 12, 2019
5ZHR
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BU of 5zhr by Molmil
Crystal structure of OsD14 in complex with covalently bound KK094
分子名称: (2,3-dihydro-1H-indol-1-yl)(1H-1,2,3-triazol-1-yl)methanone, Strigolactone esterase D14
著者Hirabayashi, K, Miyakawa, T, Tanokura, M.
登録日2018-03-13
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Triazole Ureas Covalently Bind to Strigolactone Receptor and Antagonize Strigolactone Responses.
Mol Plant, 12, 2019

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