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6UVE
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BU of 6uve by Molmil
Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
分子名称: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVD
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BU of 6uvd by Molmil
Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
分子名称: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVH
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BU of 6uvh by Molmil
Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVF
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BU of 6uvf by Molmil
Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVG
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BU of 6uvg by Molmil
Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
7VKU
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BU of 7vku by Molmil
Cryo-EM structure of SAM-Tom40 intermediate complex
分子名称: Mitochondrial import receptor subunit TOM40, Sorting assembly machinery 35 kDa subunit, Sorting assembly machinery 37 kDa subunit, ...
著者Takeda, H, Tsutsumi, A, Kikkawa, M, Endo, T.
登録日2021-10-01
公開日2023-01-04
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Author Correction: A multipoint guidance mechanism for beta-barrel folding on the SAM complex.
Nat.Struct.Mol.Biol., 30, 2023
6A9E
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BU of 6a9e by Molmil
Crystal structure of the N-terminal domain of Atg2
分子名称: Endolysin,Autophagy-related protein 2
著者Osawa, T, Noda, N.N.
登録日2018-07-13
公開日2019-03-20
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (3.205 Å)
主引用文献Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019
6A9J
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BU of 6a9j by Molmil
Crystal structure of the PE-bound N-terminal domain of Atg2
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Endolysin,Autophagy-related protein 2
著者Osawa, T, Noda, N.N.
登録日2018-07-13
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Atg2 mediates direct lipid transfer between membranes for autophagosome formation.
Nat. Struct. Mol. Biol., 26, 2019
6LEH
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BU of 6leh by Molmil
Crystal structure of Autotaxin in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Nishimasu, H, Osamu, N.
登録日2019-11-25
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of PotentIn VivoAutotaxin Inhibitors that Bind to Both Hydrophobic Pockets and Channels in the Catalytic Domain.
J.Med.Chem., 63, 2020
6L93
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BU of 6l93 by Molmil
X-ray structure of the ligand-free human TRPV1 ankyrin repeat domain
分子名称: Transient receptor potential cation channel subfamily V member 1
著者Tanaka, M, Hayakawa, K, Unno, M.
登録日2019-11-08
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (4.47 Å)
主引用文献Structure determination of the human TRPV1 ankyrin-repeat domain under nonreducing conditions.
Acta Crystallogr.,Sect.F, 76, 2020
3WEC
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BU of 3wec by Molmil
Structure of P450 RauA (CYP1050A1) complexed with a biosynthetic intermediate of aurachin RE
分子名称: 3-[(2E,6E,9R)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-2-methylquinolin-4(1H)-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Yasutake, Y, Kitagawa, W, Tamura, T.
登録日2013-07-03
公開日2014-01-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure of the quinoline N-hydroxylating cytochrome P450 RauA, an essential enzyme that confers antibiotic activity on aurachin alkaloids
Febs Lett., 588, 2014
7EBT
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BU of 7ebt by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in glutathione-bound form
分子名称: CALCIUM ION, GLUTATHIONE, Glutathione transferase
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBW
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BU of 7ebw by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in desmethylglycitein and glutathione-bound form
分子名称: 6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBV
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BU of 7ebv by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in luteolin- and glutathione-bound form
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
7EBU
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BU of 7ebu by Molmil
Crystal structure of Aedes aegypti Noppera-bo, glutathione S-transferase epsilon 8, in Daidzein- and glutathione-bound form
分子名称: 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, CALCIUM ION, GLUTATHIONE, ...
著者Inaba, K, Koiwai, K, Senda, M, Senda, T, Niwa, R.
登録日2021-03-11
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Bmc Biol., 20, 2022
5X17
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BU of 5x17 by Molmil
Crystal structure of murine CK1d in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION
著者Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T.
登録日2017-01-25
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
5X18
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BU of 5x18 by Molmil
Crystal structure of Casein kinase I homolog 1
分子名称: Casein kinase I homolog 1, GLYCEROL, MALONIC ACID
著者Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T.
登録日2017-01-25
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
1YDT
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BU of 1ydt by Molmil
STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE
分子名称: C-AMP-DEPENDENT PROTEIN KINASE, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, PROTEIN KINASE INHIBITOR PEPTIDE
著者Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D.
登録日1996-07-24
公開日1997-04-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of catalytic subunit of cAMP-dependent protein kinase in complex with isoquinolinesulfonyl protein kinase inhibitors H7, H8, and H89. Structural implications for selectivity.
J.Biol.Chem., 271, 1996
5Y3T
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BU of 5y3t by Molmil
Crystal structure of hetero-trimeric core of LUBAC: HOIP double-UBA complexed with HOIL-1L UBL and SHARPIN UBL
分子名称: E3 ubiquitin-protein ligase RNF31, GLYCEROL, RanBP-type and C3HC4-type zinc finger-containing protein 1, ...
著者Tokunaga, A, Fujita, H, Ariyoshi, M, Ohki, I, Tochio, H, Iwai, K, Shirakawa, M.
登録日2017-07-31
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cooperative Domain Formation by Homologous Motifs in HOIL-1L and SHARPIN Plays A Crucial Role in LUBAC Stabilization.
Cell Rep, 23, 2018
7EJQ
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BU of 7ejq by Molmil
Crystal structure of human transthyretin in complex with 8-chloro-9-oxo-9H-xanthene-3-carboxylic acid
分子名称: 8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid, CALCIUM ION, Transthyretin
著者Kitakami, R, Yokoyama, T, Mizuguchi, M.
登録日2021-04-02
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis.
Bioorg.Med.Chem., 44, 2021
7EJR
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BU of 7ejr by Molmil
Crystal structure of V30M mutated transthyretin in complex with 8-chloro-9-oxo-9H-xanthene-3-carboxylic acid
分子名称: 8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid, CALCIUM ION, Transthyretin
著者Kitakami, R, Yokoyama, T, Mizuguchi, M.
登録日2021-04-02
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Inhibitory activities of anthraquinone and xanthone derivatives against transthyretin amyloidogenesis.
Bioorg.Med.Chem., 44, 2021
3AWE
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BU of 3awe by Molmil
Crystal structure of Pten-like domain of Ci-VSP (248-576)
分子名称: ACETIC ACID, SODIUM ION, SULFATE ION, ...
著者Matsuda, M, Sakata, S, Takeshita, K, Suzuki, M, Yamashita, E, Okamura, Y, Nakagawa, A.
登録日2011-03-19
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Crystal structure of the cytoplasmic phosphatase and tensin homolog (PTEN)-like region of Ciona intestinalis voltage-sensing phosphatase provides insight into substrate specificity and redox regulation of the phosphoinositide phosphatase activity
J.Biol.Chem., 286, 2011
5B18
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BU of 5b18 by Molmil
Crystal Structure of a Darunavir Resistant HIV-1 Protease
分子名称: ACETATE ION, CHLORIDE ION, Protease
著者Suzuki, K, Ode, H, Nakashima, M, Sugiura, W, Watanabe, N, Suzuki, A, Iwatani, Y.
登録日2015-11-30
公開日2016-04-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unique Flap Conformation in an HIV-1 Protease with High-Level Darunavir Resistance
Front Microbiol, 7, 2016
3AWF
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BU of 3awf by Molmil
Crystal structure of Pten-like domain of Ci-VSP (236-576)
分子名称: GLYCEROL, SULFATE ION, Voltage-sensor containing phosphatase
著者Matsuda, M, Sakata, S, Takeshita, K, Suzuki, M, Yamashita, E, Okamura, Y, Nakagawa, A.
登録日2011-03-19
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structure of the cytoplasmic phosphatase and tensin homolog (PTEN)-like region of Ciona intestinalis voltage-sensing phosphatase provides insight into substrate specificity and redox regulation of the phosphoinositide phosphatase activity
J.Biol.Chem., 286, 2011
3AWG
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BU of 3awg by Molmil
Crystal structure of Pten-like domain of Ci-VSP G356A mutant (248-576)
分子名称: SULFATE ION, Voltage-sensor containing phosphatase
著者Matsuda, M, Sakata, S, Takeshita, K, Suzuki, M, Yamashita, E, Okamura, Y, Nakagawa, A.
登録日2011-03-19
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structure of the cytoplasmic phosphatase and tensin homolog (PTEN)-like region of Ciona intestinalis voltage-sensing phosphatase provides insight into substrate specificity and redox regulation of the phosphoinositide phosphatase activity
J.Biol.Chem., 286, 2011

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