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3WKV
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BU of 3wkv by Molmil
Voltage-gated proton channel: VSOP/Hv1 chimeric channel
分子名称: Ion channel
著者Takeshita, K, Sakata, S, Yamashita, E, Fujiwara, Y, Kawanabe, A, Kurokawa, T, Okochi, Y, Matsuda, M, Narita, H, Okamura, Y, Nakagawa, A.
登録日2013-10-31
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.453 Å)
主引用文献X-ray crystal structure of voltage-gated proton channel.
Nat.Struct.Mol.Biol., 21, 2014
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
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
8V4U
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BU of 8v4u by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Greasley, S.E, Ferre, R.A, Liu, W.
登録日2023-11-29
公開日2024-05-15
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J.Med.Chem., 67, 2024
6WF5
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BU of 6wf5 by Molmil
Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2)
分子名称: (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFG
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BU of 6wfg by Molmil
Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology
分子名称: (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFO
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BU of 6wfo by Molmil
Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology
分子名称: (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WF3
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BU of 6wf3 by Molmil
Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1)
分子名称: ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFN
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BU of 6wfn by Molmil
Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology
分子名称: (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFK
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BU of 6wfk by Molmil
Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology
分子名称: (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50
著者Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
登録日2020-04-03
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
1QBO
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BU of 1qbo by Molmil
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
分子名称: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
著者Whitlow, M.
登録日1999-04-26
公開日2000-05-03
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
2DQL
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BU of 2dql by Molmil
Crystal structure of the circadian clock associated protein Pex from anabaena
分子名称: PHOSPHATE ION, Pex protein
著者Kurosawa, S, Kouyama, T.
登録日2006-05-29
公開日2007-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Functionally important structural elements of the cyanobacterial clock-related protein Pex.
Genes Cells, 14, 2009
2ZFW
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BU of 2zfw by Molmil
Crystal structure of Pex from Synechococcus sp. (strain PCC 7942) (Anacystis nidulans R2)
分子名称: Pex, SULFATE ION
著者Kouyama, T.
登録日2008-01-14
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Functionally important structural elements of the cyanobacterial clock-related protein Pex.
Genes Cells, 14, 2009

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