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5JFG
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BU of 5jfg by Molmil
Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ...
著者Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-04-19
公開日2016-10-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Humanisation of RadA from Pyrococcus furiosus
To Be Published
5I04
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BU of 5i04 by Molmil
Crystal structure of the orphan region of human endoglin/CD105
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Endoglin, TRIETHYLENE GLYCOL, ...
著者Saito, T, Bokhove, M, de Sanctis, D, Jovine, L.
登録日2016-02-03
公開日2017-06-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
5JZD
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BU of 5jzd by Molmil
A re-refinement of the isochorismate synthase EntC
分子名称: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase EntC, MAGNESIUM ION
著者Meneely, K.M, Lamb, A.L.
登録日2016-05-16
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
3KMB
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BU of 3kmb by Molmil
COMPLEX OF 3'-SULFO-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A
分子名称: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ...
著者Ng, K.K.-S, Weis, W.I.
登録日1996-11-07
公開日1997-02-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.
Biochemistry, 36, 1997
4KMB
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BU of 4kmb by Molmil
COMPLEX OF 4'-SULFO-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A
分子名称: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ...
著者Ng, K.K.-S, Weis, W.I.
登録日1996-11-07
公開日1997-02-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.
Biochemistry, 36, 1997
6QMH
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BU of 6qmh by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-3-yl)propanoic acid at 1.6A resolution.
分子名称: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.837 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
3SGN
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BU of 3sgn by Molmil
Bromoderivative-8 of amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SGM
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BU of 3sgm by Molmil
Bromoderivative-2 of amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
実験手法X-RAY DIFFRACTION (1.7006 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SGR
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BU of 3sgr by Molmil
Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Tandem repeat of amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
5N8C
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BU of 5n8c by Molmil
Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor
分子名称: (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
著者Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J.
登録日2017-02-23
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based discovery of LpxC inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3SGO
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BU of 3sgo by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.557 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
6QMF
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BU of 6qmf by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-[3-(1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
分子名称: 3-indol-1-ylpropanoic acid, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
3SGS
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BU of 3sgs by Molmil
Amyloid-related segment of alphaB-crystallin residues 95-100
分子名称: Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
6QMI
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BU of 6qmi by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-1-yl)propanoic acid at 1.7A resolution.
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
3SGP
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BU of 3sgp by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain
著者Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
登録日2011-06-15
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4016 Å)
主引用文献Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
6QMG
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BU of 6qmg by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
分子名称: INDOLYLPROPIONIC ACID, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
1B6F
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BU of 1b6f by Molmil
BIRCH POLLEN ALLERGEN BET V 1
分子名称: PROTEIN (MAJOR POLLEN ALLERGEN BET V 1-A)
著者Schweimer, K, Sticht, H, Boehm, M, Roesch, P.
登録日1999-01-13
公開日2000-01-17
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献NMR Spectroscopy Reveals Common Structural Features of the Birch Pollen Allergen Bet v 1 and the cherry allergen Pru a 1
APPL.MAGN.RESON., 17, 1999
2KMB
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BU of 2kmb by Molmil
COMPLEX OF 3'-NEUAC-LEWIS-X WITH A SELECTIN-LIKE MUTANT OF MANNOSE-BINDING PROTEIN A
分子名称: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-A, ...
著者Ng, K.K.-S, Weis, W.I.
登録日1996-11-07
公開日1997-02-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a selectin-like mutant of mannose-binding protein complexed with sialylated and sulfated Lewis(x) oligosaccharides.
Biochemistry, 36, 1997
5OU2
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BU of 5ou2 by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 2 (NMR744)
分子名称: 4-(4-bromophenyl)-1H-imidazole, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
5NZ1
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BU of 5nz1 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with sutezolid
分子名称: HTH-type transcriptional regulator EthR, ~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
著者Mendes, V, Blaszczyk, M, Nikiforov, P.O, Blundell, T.L.
登録日2017-05-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
5NZ0
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BU of 5nz0 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with linezolid
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
著者Blaszczyk, M, Mendes, V, Nikiforov, P.O, Blundell, T.L.
登録日2017-05-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
5OU1
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BU of 5ou1 by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844)
分子名称: (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
5OU3
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BU of 5ou3 by Molmil
M. thermoresistible IMPDH in complex with IMP and Compound 31 (AT080)
分子名称: (2~{S})-~{N}-[5-(4-bromophenyl)-1~{H}-imidazol-2-yl]-2-[4-(1-methylimidazol-4-yl)phenoxy]propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Ascher, D.B, Pacitto, A, Blundell, T.L.
登録日2017-08-23
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018

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