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1V5B
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BU of 1v5b by Molmil
The Structure Of The Mutant, S225A and E251L, Of 3-Isopropylmalate Dehydrogenase From Bacillus Coagulans
分子名称: 3-isopropylmalate dehydrogenase, SULFATE ION
著者Fujita, K, Minami, H, Suzuki, K, Tsunoda, M, Sekiguchi, T, Mizui, R, Tsuzaki, S, Nakamura, S, Takenaka, A.
登録日2003-11-22
公開日2005-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of a highly thermo-stabilized mutant of 3-isopropylmalate dehydrogenase from Bacillus coagulans: An evaluation of local packing density in the hydrophobic core
To be Published
1V53
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BU of 1v53 by Molmil
The crystal structure of 3-isopropylmalate dehydrogenase from Bacillus coagulans
分子名称: 3-isopropylmalate dehydrogenase
著者Fujita, K, Minami, H, Suzuki, K, Tsunoda, M, Sekiguchi, T, Mizui, R, Tsuzaki, S, Nakamura, S, Takenaka, A.
登録日2003-11-20
公開日2005-02-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The crystal structure of 3-isopropylmalate dehydrogenase from Bacillus coagulans
To be Published
2YZD
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BU of 2yzd by Molmil
Crystal structure of uricase from Arthrobacter globiformis in complex with 8-azaxanthin (inhibitor)
分子名称: 8-AZAXANTHINE, Uricase
著者Juan, E.C.M, Hossain, M.T, Hoque, M.M, Suzuki, K, Sekiguchi, T, Takenaka, A.
登録日2007-05-05
公開日2008-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Trapping of the uric acid substrate in the crystal structure of urate oxidase from Arthrobacter globiformis
To be Published
2YZE
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BU of 2yze by Molmil
Crystal structure of uricase from Arthrobacter globiformis
分子名称: (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium, Uricase
著者Juan, E.C.M, Hossain, M.T, Hoque, M.M, Suzuki, K, Sekiguchi, T, Takenaka, A.
登録日2007-05-05
公開日2008-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Trapping of the uric acid substrate in the crystal structure of urate oxidase from Arthrobacter globiformis
To be Published
2YZB
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BU of 2yzb by Molmil
Crystal structure of uricase from Arthrobacter globiformis in complex with uric acid (substrate)
分子名称: URIC ACID, Uricase
著者Juan, E.C.M, Hossain, M.T, Hoque, M.M, Suzuki, K, Sekiguchi, T, Takenaka, A.
登録日2007-05-05
公開日2008-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Trapping of the uric acid substrate in the crystal structure of urate oxidase from Arthrobacter globiformis
To be Published
3A31
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BU of 3a31 by Molmil
Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix (selenomethionine derivative)
分子名称: Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION
著者Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A.
登録日2009-06-07
公開日2009-10-27
最終更新日2013-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain
J.Mol.Biol., 394, 2009
3A32
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BU of 3a32 by Molmil
Crystal structure of putative threonyl-tRNA synthetase ThrRS-1 from Aeropyrum pernix
分子名称: Probable threonyl-tRNA synthetase 1, SULFATE ION, ZINC ION
著者Shimizu, S, Juan, E.C.M, Miyashita, Y, Sato, Y, Hoque, M.M, Suzuki, K, Yogiashi, M, Tsunoda, M, Dock-Bregeon, A.-C, Moras, D, Sekiguchi, T, Takenaka, A.
登録日2009-06-07
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Two complementary enzymes for threonylation of tRNA in crenarchaeota: crystal structure of Aeropyrum pernix threonyl-tRNA synthetase lacking a cis-editing domain
J.Mol.Biol., 394, 2009
2YZC
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BU of 2yzc by Molmil
Crystal structure of uricase from Arthrobacter globiformis in complex with allantoate
分子名称: ALLANTOATE ION, Uricase
著者Juan, E.C.M, Hossain, M.T, Hoque, M.M, Suzuki, K, Sekiguchi, T, Takenaka, A.
登録日2007-05-05
公開日2008-05-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Trapping of the uric acid substrate in the crystal structure of urate oxidase from Arthrobacter globiformis
To be Published
3W5K
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BU of 3w5k by Molmil
Crystal structure of Snail1 and importin beta complex
分子名称: Importin subunit beta-1, ZINC ION, Zinc finger protein SNAI1
著者Choi, S, Yamashita, E, Yasuhara, N, Song, J, Son, S.Y, Won, Y.H, Shin, Y.S, Sekimoto, T, Park, I.Y, Yoneda, Y, Lee, S.J.
登録日2013-01-30
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the selective nuclear import of the C2H2 zinc-finger protein Snail by importin beta.
Acta Crystallogr.,Sect.D, 70, 2014
7WCE
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BU of 7wce by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid
分子名称: (2S)-2-[10-fluoranyl-1,4-dimethyl-2-(4-methyl-2-oxidanyl-phenyl)-5-methylsulfonyl-6H-phenanthridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, GLYCEROL, Integrase catalytic, ...
著者Taoda, Y, Sekiguchi, Y.
登録日2021-12-20
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of tricyclic HIV-1 integrase-LEDGF/p75 allosteric inhibitors by intramolecular direct arylation reaction.
Bioorg.Med.Chem.Lett., 64, 2022
7D83
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BU of 7d83 by Molmil
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid
分子名称: (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, SULFATE ION
著者Sugiyama, S, Sekiguchi, Y.
登録日2020-10-07
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond.
Bioorg.Med.Chem.Lett., 33, 2020
6IO0
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BU of 6io0 by Molmil
Human IDH1 R132C mutant complexed with compound A.
分子名称: (2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid, CITRIC ACID, GLYCEROL, ...
著者Suzuki, M, Baba, D, Hanzawa, H.
登録日2018-10-29
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Mol.Cancer Ther., 19, 2020
7XLP
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BU of 7xlp by Molmil
MEK1 bound to DS03090629
分子名称: (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H.
登録日2022-04-22
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
7XNC
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BU of 7xnc by Molmil
MEK1 bound to DS94070624
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H.
登録日2022-04-28
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
3VZV
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BU of 3vzv by Molmil
Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor
分子名称: 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide, E3 ubiquitin-protein ligase Mdm2
著者Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T.
登録日2012-10-16
公開日2013-02-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold
Bioorg.Med.Chem.Lett., 23, 2013
3W69
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Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor
分子名称: (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T.
登録日2013-02-12
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and evaluation of novel orally active p53-MDM2 interaction inhibitors
Bioorg.Med.Chem., 21, 2013
6C3E
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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
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
1RRP
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BU of 1rrp by Molmil
STRUCTURE OF THE RAN-GPPNHP-RANBD1 COMPLEX
分子名称: MAGNESIUM ION, NUCLEAR PORE COMPLEX PROTEIN NUP358, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Vetter, I.R, Nowak, C, Nishimoto, T, Kuhlmann, J, Wittinghofer, A.
登録日1999-01-15
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Structure of a Ran-binding domain complexed with Ran bound to a GTP analogue: implications for nuclear transport.
Nature, 398, 1999
2YQU
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Crystal structures and evolutionary relationship of two different lipoamide dehydrogenase(E3s) from Thermus thermophilus
分子名称: 2-oxoglutarate dehydrogenase E3 component, CARBONATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Kondo, H, Hossain, M.T, Adachi, W, Nakai, T, Kamiya, N, Kuramitsu, K.
登録日2007-03-31
公開日2008-04-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures and evolutionary relationship of two different lipoamide dehydrogenase(E3s) from Thermus thermophilus
To be Published
2AYQ
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BU of 2ayq by Molmil
3-ISOPROPYLMALATE DEHYDROGENASE FROM THE MODERATE FACULTATIVE THERMOPHILE, BACILLUS COAGULANS
分子名称: 3-ISOPROPYLMALATE DEHYDROGENASE
著者Tsuchiya, D, Takenaka, A.
登録日1998-02-20
公開日1998-05-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of 3-isopropylmalate dehydrogenase from the moderate facultative thermophile, Bacillus coagulans: two strategies for thermostabilization of protein structures.
J.Biochem.(Tokyo), 122, 1997
7E5O
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BU of 7e5o by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with antibody NT-193
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NT-193 Heavy chain, NT-193 Light chain, ...
著者Kita, S, Onodera, T, Adachi, Y, Moriayma, S, Nomura, T, Tadokoro, T, Anraku, Y, Yumoto, K, Tian, C, Fukuhara, H, Suzuki, T, Tonouchi, K, Sasaki, J, Sun, L, Hashiguchi, T, Takahashi, Y, Maenaka, K.
登録日2021-02-19
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A SARS-CoV-2 antibody broadly neutralizes SARS-related coronaviruses and variants by coordinated recognition of a virus-vulnerable site.
Immunity, 54, 2021
4N0H
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Crystal structure of S. cerevisiae mitochondrial GatFAB
分子名称: Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial, Glutamyl-tRNA(Gln) amidotransferase subunit B, ...
著者Araiso, Y, Ishitani, R, Nureki, O.
登録日2013-10-02
公開日2014-04-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Crystal structure of Saccharomyces cerevisiae mitochondrial GatFAB reveals a novel subunit assembly in tRNA-dependent amidotransferases
Nucleic Acids Res., 42, 2014
4N0I
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Crystal structure of S. cerevisiae mitochondrial GatFAB in complex with glutamine
分子名称: GLUTAMINE, Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial, ...
著者Araiso, Y, Ishitani, R, Nureki, O.
登録日2013-10-02
公開日2014-04-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal structure of Saccharomyces cerevisiae mitochondrial GatFAB reveals a novel subunit assembly in tRNA-dependent amidotransferases
Nucleic Acids Res., 42, 2014
7E55
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Cryo-EM structure of alpha 7 homo-tetradecamer
分子名称: Proteasome subunit alpha type-3
著者Song, C, Murata, K.
登録日2021-02-17
公開日2021-05-05
最終更新日2021-05-19
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural Fluctuations of the Human Proteasome alpha 7 Homo-Tetradecamer Double Ring Imply the Proteasomal alpha-Ring Assembly Mechanism.
Int J Mol Sci, 22, 2021

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