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7C7H
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BU of 7c7h by Molmil
Crystal structures of AKR1C3 ternary complex with NADP+ and the chromene derivative 2l
分子名称: 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Irie, K, Toyooka, N, Endo, S.
登録日2020-05-25
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
4Y59
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BU of 4y59 by Molmil
Crystal structure of ALiS1-Streptavidin complex
分子名称: 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one, Streptavidin
著者Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
登録日2015-02-11
公開日2015-09-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
4WUA
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BU of 4wua by Molmil
Crystal structure of human SRPK1 complexed to an inhibitor SRPIN340
分子名称: CITRIC ACID, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-4-pyridinecarboxamide, SRSF protein kinase 1, ...
著者Hoshina, M, Ikura, T, Hosoya, T, Hagiwara, M, Ito, N.
登録日2014-10-31
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a Dual Inhibitor of SRPK1 and CK2 That Attenuates Pathological Angiogenesis of Macular Degeneration in Mice
Mol.Pharmacol., 88, 2015
4Y5D
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BU of 4y5d by Molmil
CRYSTAL STRUCTURE OF ALiS2-STREPTAVIDIN COMPLEX
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, DIMETHYL SULFOXIDE, HEXAETHYLENE GLYCOL, ...
著者Sugiyama, S, Terai, T, Kohno, M, Ishida, H, Nagano, T.
登録日2015-02-11
公開日2015-09-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
J.Am.Chem.Soc., 137, 2015
8II1
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BU of 8ii1 by Molmil
Crystal structure of V30M-TTR in complex with BID
分子名称: Benziodarone, Transthyretin
著者Yokoyama, T.
登録日2023-02-24
公開日2023-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8II3
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BU of 8ii3 by Molmil
Crystal structure of V30M-TTR in complex with 6-hydroxy BID
分子名称: Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
著者Yokoyama, T.
登録日2023-02-24
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8II4
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BU of 8ii4 by Molmil
Crystal structure of V30M-TTR in complex with 6-hydroxy BBM
分子名称: Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
著者Yokoyama, T.
登録日2023-02-24
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
8II2
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Crystal structure of V30M-TTR in complex with BBM
分子名称: CALCIUM ION, Transthyretin, [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone
著者Yokoyama, T.
登録日2023-02-24
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Benziodarone and 6-hydroxybenziodarone are potent and selective inhibitors of transthyretin amyloidogenesis.
Bioorg.Med.Chem., 90, 2023
1ENK
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BU of 1enk by Molmil
CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS
分子名称: ENDONUCLEASE V
著者Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K.
登録日1994-08-08
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
1ENI
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BU of 1eni by Molmil
CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS
分子名称: ENDONUCLEASE V
著者Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K.
登録日1994-08-08
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
1FXI
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BU of 1fxi by Molmil
STRUCTURE OF THE [2FE-2S] FERREDOXIN I FROM THE BLUE-GREEN ALGA APHANOTHECE SACRUM AT 2.2 ANGSTROMS RESOLUTION
分子名称: FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN I
著者Tsukihara, T.
登録日1990-08-28
公開日1991-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the [2Fe-2S] ferredoxin I from the blue-green alga Aphanothece sacrum at 2.2 A resolution.
J.Mol.Biol., 216, 1990
8WGT
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BU of 8wgt by Molmil
Crystal structure of V30M-TTR in complex with compound 7
分子名称: Transthyretin, [4,7-bis(chloranyl)-2-ethyl-1-benzofuran-3-yl]-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]methanone
著者Yokoyama, T.
登録日2023-09-22
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
8WGS
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BU of 8wgs by Molmil
Crystal structure of V30M-TTR in complex with compound 4
分子名称: Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone
著者Yokoyama, T.
登録日2023-09-22
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
8WGU
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BU of 8wgu by Molmil
Crystal structure of V30M-TTR in complex with compound 20
分子名称: Transthyretin, [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-[2-ethyl-4,7-bis(fluoranyl)-1-benzofuran-3-yl]methanone
著者Yokoyama, T.
登録日2023-09-22
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Development of Benziodarone Analogues with Enhanced Potency for Selective Binding to Transthyretin in Human Plasma.
J.Med.Chem., 67, 2024
8DOY
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BU of 8doy by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ...
著者Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H.
登録日2022-07-14
公開日2022-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Potent and biostable inhibitors of the main protease of SARS-CoV-2.
Iscience, 25, 2022
1VAS
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BU of 1vas by Molmil
ATOMIC MODEL OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME COMPLEXED WITH A DNA SUBSTRATE: STRUCTURAL BASIS FOR DAMAGED DNA RECOGNITION
分子名称: DNA (5'-D(*AP*TP*CP*GP*CP*GP*TP*TP*GP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*CP*AP*AP*CP*GP*CP*GP*A)-3'), PROTEIN (T4 ENDONUCLEASE V (E.C.3.1.25.1))
著者Vassylyev, D.G, Kashiwagi, T, Mikami, Y, Ariyoshi, M, Iwai, S, Ohtsuka, E, Morikawa, K.
登録日1995-09-08
公開日1996-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Atomic model of a pyrimidine dimer excision repair enzyme complexed with a DNA substrate: structural basis for damaged DNA recognition.
Cell(Cambridge,Mass.), 83, 1995
7DMU
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BU of 7dmu by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain complexed with high affinity ACE2 mutant 3N39
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, Angiotensin-converting enzyme 2, ...
著者Arimori, T, Takagi, J.
登録日2020-12-07
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Engineered ACE2 receptor therapy overcomes mutational escape of SARS-CoV-2.
Nat Commun, 12, 2021
6LK4
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BU of 6lk4 by Molmil
Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION
著者Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T.
登録日2019-12-18
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
5BRO
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BU of 5bro by Molmil
Crystal structure of modified HexB (modB)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase subunit beta, FORMIC ACID, ...
著者Kitakaze, K, Maita, N, Itoh, K.
登録日2015-06-01
公開日2016-05-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protease-resistant modified human beta-hexosaminidase B ameliorates symptoms in GM2 gangliosidosis model.
J.Clin.Invest., 126, 2016
6C4D
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BU of 6c4d by Molmil
Structure based design of RIP1 kinase inhibitors
分子名称: (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile, Receptor-interacting serine/threonine-protein kinase 1
著者Saikatendu, K.S, Yoshikawa, M.
登録日2018-01-11
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
6C3E
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BU of 6c3e by Molmil
CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR
分子名称: 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1
著者Saikatendu, K.S, Yoshikawa, M.
登録日2018-01-09
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
6KER
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BU of 6ker by Molmil
Crystal structure of D113A mutant of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in glutathione-bound form
分子名称: GLUTATHIONE, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEM
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BU of 6kem by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form 2
分子名称: Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEP
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BU of 6kep by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in 17beta-estradiol- and glutathione-bound form
分子名称: ESTRADIOL, GLUTATHIONE, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020
6KEO
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BU of 6keo by Molmil
Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in 17beta-estradiol-bound form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ESTRADIOL, Glutathione S-transferase E14
著者Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Niwa, R, Senda, T.
登録日2019-07-04
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
J.Biol.Chem., 295, 2020

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