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5Z1N
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BU of 5z1n by Molmil
Crystal structure of C terminal region of G-protein interacting protein 1 (Gip1) from Dictyostelium discoideum
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, G-protein interacting protein 1, ...
著者Miyagawa, T, Koteishi, H, Kamimura, Y, Miyanaga, Y, Takeshita, K, Nakagawa, A, Ueda, M.
登録日2017-12-27
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Structural basis of Gip1 for cytosolic sequestration of G protein in wide-range chemotaxis
Nat Commun, 9, 2018
5Z39
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BU of 5z39 by Molmil
Crystal structure of C terminal region of G-protein interacting protein 1 (Gip1) from Dictyostelium discoideum form II
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, G-protein interacting protein 1, ...
著者Miyagawa, T, Koteishi, H, Kamimura, Y, Miyanaga, Y, Takeshita, K, Nakagawa, A, Ueda, M.
登録日2018-01-05
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structural basis of Gip1 for cytosolic sequestration of G protein in wide-range chemotaxis
Nat Commun, 9, 2018
2EGY
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BU of 2egy by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase (substrate free form), from Thermus thermophilus HB27
分子名称: Alpha-aminodipate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2007-03-02
公開日2008-03-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structure of LysN, alpha-aminoadipate aminotransferase, from Thermus thermophilus HB27
To be Published
2Z1Y
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BU of 2z1y by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase (complexed with N-(5'-phosphopyridoxyl)-L-leucine), from Thermus thermophilus HB27
分子名称: Alpha-aminodipate aminotransferase, LEUCINE, PYRIDOXAL-5'-PHOSPHATE
著者Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2007-05-16
公開日2008-06-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mechanism of broad substrate specificity of alpha-aminoadipate aminotransferase from Thermus thermophilus
To be Published
2ZP7
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BU of 2zp7 by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase (Leucine complex), from Thermus thermophilus HB27
分子名称: Alpha-aminodipate aminotransferase, LEUCINE, PYRIDOXAL-5'-PHOSPHATE
著者Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2008-06-30
公開日2009-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Mechanism for multiple-substrates recognition of alpha-aminoadipate aminotransferase from Thermus thermophilus
Proteins, 2008
3CBF
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BU of 3cbf by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase, from Thermus thermophilus HB27
分子名称: (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid, Alpha-aminodipate aminotransferase
著者Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2008-02-21
公開日2009-01-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mechanism for multiple-substrates recognition of alpha-aminoadipate aminotransferase from Thermus thermophilus
Proteins, 2008
1C53
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BU of 1c53 by Molmil
S-CLASS CYTOCHROMES C HAVE A VARIETY OF FOLDING PATTERNS: STRUCTURE OF CYTOCHROME C-553 FROM DESULFOVIBRIO VULGARIS DETERMINED BY THE MULTI-WAVELENGTH ANOMALOUS DISPERSION METHOD
分子名称: CYTOCHROME C553, PROTOPORPHYRIN IX CONTAINING FE
著者Nakagawa, A, Higuchi, Y, Yasuoka, N, Katsube, Y, Yaga, T.
登録日1991-08-26
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献S-class cytochromes c have a variety of folding patterns: structure of cytochrome c-553 from Desulfovibrio vulgaris determined by the multi-wavelength anomalous dispersion method.
J.Biochem.(Tokyo), 108, 1990
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
分子名称: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
7MCF
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BU of 7mcf by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
分子名称: 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4
著者Sheriff, S.
登録日2021-04-02
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.
Bioorg.Med.Chem.Lett., 44, 2021
7MCE
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BU of 7mce by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol
分子名称: 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4
著者Sheriff, S.
登録日2021-04-02
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.
Bioorg.Med.Chem.Lett., 51, 2021
2ZYJ
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BU of 2zyj by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase (complexed with N-(5'-phosphopyridoxyl)-L-glutamate), from Thermus thermophilus HB27
分子名称: Alpha-aminodipate aminotransferase, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid
著者Ouchi, T, Tomita, T, Kuzuyama, T, Nishiyama, M.
登録日2009-01-26
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Dual roles of a conserved pair, Arg23 and Ser20, in recognition of multiple substrates in alpha-aminoadipate aminotransferase from Thermus thermophilus.
Biochem.Biophys.Res.Commun., 388, 2009
6XP9
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BU of 6xp9 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1
分子名称: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, GLYCEROL, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
著者Khan, J.A.
登録日2020-07-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 30, 2020
7UZN
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BU of 7uzn by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(1,4-DIMETHYL-1H-1,2,3-TRIAZOL-5-YL)-8-FLUORO-5-[(S)-(OXAN-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-b]INDOL-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP
分子名称: 1,2-ETHANEDIOL, 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ...
著者Sheriff, S.
登録日2022-05-09
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.685 Å)
主引用文献Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.
Acs Med.Chem.Lett., 13, 2022
5TWM
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BU of 5twm by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ...
著者Sheriff, S.
登録日2016-11-14
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
5TWN
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BU of 5twn by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
分子名称: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ...
著者Sheriff, S.
登録日2016-11-14
公開日2017-03-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017

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