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4PWL
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BU of 4pwl by Molmil
Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen)
分子名称: (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Lavecchia, A, Piemontese, L.
登録日2014-03-20
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
3G49
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BU of 3g49 by Molmil
N-(Pyridin-2-yl) Arylsulfonamide Inhibitors of 11b-Hydroxysteroid Dehydrogenase Type 1: Discovery of PF-915275
分子名称: 11-beta-hydroxysteroid dehydrogenase 1, 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Pauly, T.A.
登録日2009-02-03
公開日2009-08-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275.
Bioorg.Med.Chem.Lett., 19, 2009
7BGP
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BU of 7bgp by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT.
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2021-01-08
公開日2021-03-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
7BE7
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BU of 7be7 by Molmil
Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2020-12-22
公開日2021-03-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
7BB2
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BU of 7bb2 by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1))
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION, ...
著者Costanzi, E, Demitri, N, Giabbai, B, Storici, P.
登録日2020-12-16
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
1QUW
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BU of 1quw by Molmil
SOLUTION STRUCTURE OF THE THIOREDOXIN FROM BACILLUS ACIDOCALDARIUS
分子名称: THIOREDOXIN
著者Nicastro, G, de Chiara, C, Pedone, E, Tato, M, Rossi, M.
登録日1999-07-02
公開日2000-01-26
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR solution structure of a novel thioredoxin from Bacillus acidocaldarius possible determinants of protein stability.
Eur.J.Biochem., 267, 2000
4JU4
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BU of 4ju4 by Molmil
Crystal structure of hcv ns5b polymerase in complex with compound 22
分子名称: 2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION
著者Coulombe, R.
登録日2013-03-24
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay.
Bioorg.Med.Chem.Lett., 23, 2013
4JU6
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BU of 4ju6 by Molmil
Crystal structure of hcv ns5b polymerase in complex with compound 24
分子名称: 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION
著者Coulombe, R.
登録日2013-03-24
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay.
Bioorg.Med.Chem.Lett., 23, 2013
4IIQ
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BU of 4iiq by Molmil
Crystal structure of a human MAIT TCR in complex with bovine MR1
分子名称: Beta-2-microglobulin, MHC class I-related protein, Human Mucosal Associated Invariant T cell receptor alpha chain, ...
著者Lopez-Sagaseta, J, Adams, E.J.
登録日2012-12-20
公開日2013-04-24
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献The molecular basis for Mucosal-Associated Invariant T cell recognition of MR1 proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JU7
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BU of 4ju7 by Molmil
Crystal structure of hcv ns5b polymerase in complex with compound 24
分子名称: 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION
著者Coulombe, R.
登録日2013-03-24
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay.
Bioorg.Med.Chem.Lett., 23, 2013
4JU3
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BU of 4ju3 by Molmil
Crystal structure of hcv ns5b polymerase in complex with compound 8
分子名称: 5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid, Genome polyprotein, MAGNESIUM ION
著者Coulombe, R.
登録日2013-03-24
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay.
Bioorg.Med.Chem.Lett., 23, 2013
4PPG
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BU of 4ppg by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-BR
分子名称: CITRATE ANION, Protein RecA, 1st part, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-27
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PPQ
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BU of 4ppq by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-CR
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-27
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PQY
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BU of 4pqy by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N4
分子名称: GLYCEROL, Protein RecA, 1st part, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-05
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PTL
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BU of 4ptl by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-GM
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-11
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4OQF
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BU of 4oqf by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-SR
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-09
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PO8
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BU of 4po8 by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-CR
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-25
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PQF
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BU of 4pqf by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-CR
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-03
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PQR
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BU of 4pqr by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIB-BN
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-04
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PR0
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BU of 4pr0 by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N3
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-05
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PSA
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BU of 4psa by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N1
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-07
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PSK
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BU of 4psk by Molmil
Mycobacterium tuberculosis RecA phosphate bound low temperature structure I-LT
分子名称: PHOSPHATE ION, Protein RecA, 1st part, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-03-07
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PO1
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BU of 4po1 by Molmil
Mycobacterium tuberculosis RecA glycerol bound room temperature structure IIC-RT
分子名称: GLYCEROL, Protein RecA
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-23
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4POA
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BU of 4poa by Molmil
Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BN
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-25
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
4PPF
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BU of 4ppf by Molmil
Mycobacterium tuberculosis RecA citrate bound low temperature structure IIA-N
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Protein RecA, ...
著者Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
登録日2014-02-26
公開日2015-03-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015

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