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4UYN
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BU of 4uyn by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
著者Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C.
登録日2014-09-02
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
3ZT7
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BU of 3zt7 by Molmil
GlgE isoform 1 from Streptomyces coelicolor with beta-cyclodextrin and maltose bound
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
3ZT5
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BU of 3zt5 by Molmil
GlgE isoform 1 from Streptomyces coelicolor with maltose bound
分子名称: PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
3ZT6
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BU of 3zt6 by Molmil
GlgE isoform 1 from Streptomyces coelicolor with alpha-cyclodextrin and maltose bound
分子名称: Cyclohexakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-07-01
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
3ZST
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BU of 3zst by Molmil
GlgE isoform 1 from Streptomyces coelicolor with alpha-cyclodextrin bound
分子名称: 1,2-ETHANEDIOL, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), PUTATIVE GLUCANOHYDROLASE PEP1A GLGE ISOFORM 1
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-06-30
公開日2011-09-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
4XYC
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BU of 4xyc by Molmil
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
分子名称: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1
著者Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E.
登録日2015-02-02
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
3ZSS
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BU of 3zss by Molmil
Apo form of GlgE isoform 1 from Streptomyces coelicolor
分子名称: PUTATIVE GLUCANOHYDROLASE PEP1A
著者Syson, K, Stevenson, C.E.M, Rejzek, M, Fairhurst, S.A, Nair, A, Bruton, C.J, Field, R.A, Chater, K.F, Lawson, D.M, Bornemann, S.
登録日2011-06-30
公開日2011-09-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a Streptomyces Maltosyltransferase Glge: A Homologue of a Genetically Validated Anti-Tuberculosis Target.
J.Biol.Chem., 286, 2011
1BC6
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BU of 1bc6 by Molmil
7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, 20 STRUCTURES
分子名称: 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER
著者Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A.
登録日1998-05-05
公開日1998-06-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy.
Biochemistry, 37, 1998
1BD6
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BU of 1bd6 by Molmil
7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER
著者Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A.
登録日1998-05-06
公開日1998-06-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy.
Biochemistry, 37, 1998
1KQV
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BU of 1kqv by Molmil
Family of NMR Solution Structures of Ca Ln Calbindin D9K
分子名称: LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN
著者Bertini, I, Donaire, A, Jimenez, B, Luchinat, C, Parigi, G, Piccioli, M, Poggi, L.
登録日2002-01-08
公開日2002-01-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
1KSM
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BU of 1ksm by Molmil
AVERAGE NMR SOLUTION STRUCTURE OF CA LN CALBINDIN D9K
分子名称: LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN
著者Bertini, I, Donaire, A, Luchinat, C, Piccioli, M, Poggi, L, Parigi, G, Jimenez, B.
登録日2002-01-14
公開日2002-01-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
1CLF
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BU of 1clf by Molmil
CLOSTRIDIUM PASTEURIANUM FERREDOXIN
分子名称: FERREDOXIN, IRON/SULFUR CLUSTER
著者Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H.
登録日1995-06-21
公開日1996-01-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum.
Eur.J.Biochem., 232, 1995
2LLN
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BU of 2lln by Molmil
Solution structure of Thermus thermophilus apo-CuA
分子名称: Cytochrome c oxidase subunit 2
著者Zaballa, M, Abriata, L, Donaire, A, Vila, A.
登録日2011-11-15
公開日2012-05-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Flexibility of the metal binding region in apo-cupredoxins and its implications on the entatic state and in vivo metallation
Proc.Natl.Acad.Sci.USA, 2012
2JT5
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BU of 2jt5 by Molmil
solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of n-hydroxy-2-[n-(2-hydroxyethyl)biphenyl-4-sulfonamide] hydroxamic acid (MLC88)
分子名称: CALCIUM ION, N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide, Stromelysin-1, ...
著者Alcaraz, L.A, Banci, L, Bertini, I, Cantini, F, Donaire, A, Gonnelli, L.
登録日2007-07-20
公開日2008-02-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
J.Biol.Inorg.Chem., 12, 2007
2JNP
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BU of 2jnp by Molmil
Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of N-isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
分子名称: CALCIUM ION, Matrix metalloproteinase-3, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Alcaraz, L.A, Banci, L, Bertini, I, Cantini, F, Donaire, A, Gonnelli, L.
登録日2007-01-30
公開日2007-12-11
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
J.Biol.Inorg.Chem., 12, 2007
2JT6
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BU of 2jt6 by Molmil
Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of 3-4'-cyanobyphenyl-4-yloxy)-n-hdydroxypropionamide (MMP-3 inhibitor VII)
分子名称: 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide, CALCIUM ION, Stromelysin-1, ...
著者Alcaraz, L.A, Banci, L, Bertini, I, Cantini, F, Donaire, A, Gonnelli, L.
登録日2007-07-23
公開日2008-02-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
J.Biol.Inorg.Chem., 12, 2007
6WBS
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BU of 6wbs by Molmil
Human CFTR first nucleotide binding domain with dF508/V510D
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
登録日2020-03-27
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.857 Å)
主引用文献Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
4UZD
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BU of 4uzd by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
著者Pouzieux, S, Delarbre, L, Crenne, J.Y.
登録日2014-09-05
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4UZH
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SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN
著者Pouzieux, S, Maignan, S, Crenne, J.Y.
登録日2014-09-05
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
3O23
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BU of 3o23 by Molmil
Human unphosphorylated IGF1-R Kinase domain in complex with an hydantoin inhibitor
分子名称: (5S)-5-methyl-1-(quinolin-4-ylmethyl)-3-{4-[(trifluoromethyl)sulfonyl]phenyl}imidazolidine-2,4-dione, Insulin-like growth factor 1 receptor
著者Maignan, S, Guilloteau, J.P, Dupuy, A.
登録日2010-07-22
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of the first non-ATP competitive IGF-1R kinase inhibitors: Advantages in comparison with competitive inhibitors
Bioorg.Med.Chem.Lett., 21, 2011

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