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2O5D
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BU of 2o5d by Molmil
Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study
分子名称: (2S)-2-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)-2-(4-FLUOROPHENYL)-N-[(4-NITROPHENYL)SULFONYL]ACETAMIDE, HCV
著者Yao, N.
登録日2006-12-05
公開日2007-02-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thiazolone-acylsulfonamides as novel HCV NS5B polymerase allosteric inhibitors: Convergence of structure-based drug design and X-ray crystallographic study.
Bioorg.Med.Chem.Lett., 17, 2007
2HWH
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BU of 2hwh by Molmil
HCV NS5B allosteric inhibitor complex
分子名称: 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE, RNA-directed RNA polymerase (NS5B) (p68)
著者Yao, N.
登録日2006-08-01
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HWI
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BU of 2hwi by Molmil
HCV NS5B allosteric inhibitor complex
分子名称: (2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID, RNA-directed RNA polymerase (NS5B) (p68)
著者Yao, N.
登録日2006-08-01
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
5V4Q
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BU of 5v4q by Molmil
Crystal Structure of human GGT1 in complex with DON
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5,5-dihydroxy-L-norleucine, CHLORIDE ION, ...
著者Terzyan, S, Hanigan, M.
登録日2017-03-10
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of 6-diazo-5-oxo-norleucine-bound human gamma-glutamyl transpeptidase 1, a novel mechanism of inactivation.
Protein Sci., 26, 2017
6LIG
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BU of 6lig by Molmil
Crystal structure of human Glutamate oxaloacetate transaminase 1 (GOT1) in complex with AH
分子名称: 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one, Glutamate oxaloacetate transaminase 1, PYRIDOXAL-5'-PHOSPHATE
著者Yan, S, Sun, W.G, Zhang, Y.H.
登録日2019-12-10
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structure of human Glutamate oxaloacetate transaminase 1 (GOT1) in complex with AH
To Be Published
4JKZ
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BU of 4jkz by Molmil
Crystal structure of ms6564 from mycobacterium smegmatis
分子名称: Transcriptional regulator, TetR family
著者Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H.
登録日2013-03-12
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA.
J.Biol.Chem., 288, 2013
4JL3
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BU of 4jl3 by Molmil
Crystal structure of ms6564-dna complex
分子名称: DNA (31-MER), Transcriptional regulator, TetR family
著者Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H.
登録日2013-03-12
公開日2013-06-26
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA.
J.Biol.Chem., 288, 2013
4ZBK
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BU of 4zbk by Molmil
Crystal Structure of human GGT1 in complex with GGsTop inhibitor
分子名称: (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Terzyan, S, Hanigan, M.
登録日2015-04-14
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
4ZC6
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BU of 4zc6 by Molmil
Crystal Structure of human GGT1 in complex with Serine Borate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Gamma-glutamyltranspeptidase 1 heavy chain, ...
著者Terzyan, S, Hanigan, M.
登録日2015-04-15
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
4ZCG
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BU of 4zcg by Molmil
Crystal Structure of human GGT1 in complex with Glutamate (with all atoms of glutamate)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
著者Terzyan, S, Hanigan, M.
登録日2015-04-15
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS.
J.Biol.Chem., 290, 2015
4GOY
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BU of 4goy by Molmil
The crystal structure of human fascin 1 K41A mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GP3
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BU of 4gp3 by Molmil
The crystal structure of human fascin 1 K358A mutant
分子名称: BROMIDE ION, CHLORIDE ION, Fascin, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GP0
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BU of 4gp0 by Molmil
The crystal structure of human fascin 1 R149A K150A R151A mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GOV
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BU of 4gov by Molmil
The crystal structure of human fascin 1 S39D mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
6XE9
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BU of 6xe9 by Molmil
10S myosin II (smooth muscle)
分子名称: Myosin II heavy chain (smooth muscle), Myosin light chain 9, Myosin light chain smooth muscle isoform
著者Tiwari, P, Craig, R, Padron, R.
登録日2020-06-12
公開日2020-12-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structure of the inhibited (10S) form of myosin II.
Nature, 588, 2020
3UI7
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BU of 3ui7 by Molmil
Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia
分子名称: 6-methoxy-3,8-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, ZINC ION, ...
著者Yang, S, Smotryski, J, Mcelroy, W, Ho, G, Tulshian, D, Greenlee, W.J, Hodgson, R, Xiao, L, Hruza, A.
登録日2011-11-04
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
7EF6
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BU of 7ef6 by Molmil
Crystal Structure of Xanthosine monophosphate phosphatase in the unliganded state
分子名称: MAGNESIUM ION, Xanthosine monophosphate phosphatase
著者Yang, S, Rhee, S.
登録日2021-03-21
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Initiation of cytosolic plant purine nucleotide catabolism involves a monospecific xanthosine monophosphate phosphatase.
Nat Commun, 12, 2021
7EF7
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BU of 7ef7 by Molmil
Crystal Structure of Xanthosine monophosphate phosphatase complex with XMP
分子名称: At2g32150/F22D22.10, MAGNESIUM ION, XANTHOSINE-5'-MONOPHOSPHATE
著者Yang, S, Rhee, S.
登録日2021-03-21
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Initiation of cytosolic plant purine nucleotide catabolism involves a monospecific xanthosine monophosphate phosphatase.
Nat Commun, 12, 2021
4LNR
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BU of 4lnr by Molmil
The structure of HLA-B*35:01 in complex with the peptide (RPQVPLRPMTY)
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
著者Cheng, H, Shi, Y, Qi, J, Gao, G.F.
登録日2013-07-12
公開日2014-07-23
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Peptide-dependent conformational fluctuation determines the stability of the human leukocyte antigen class I complex.
J.Biol.Chem., 289, 2014
4DOX
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BU of 4dox by Molmil
Crystal Structure of Papaya mosaic virus capsid protein
分子名称: Coat protein
著者Wang, T, Li, H.
登録日2012-02-11
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the coat protein of the flexible filamentous papaya mosaic virus.
J.Mol.Biol., 422, 2012
2GX4
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BU of 2gx4 by Molmil
Crystal structure of SARS coronavirus 3CL protease inhibitor complex
分子名称: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Hsu, M.F, Wang, A.H.-J.
登録日2006-05-08
公開日2007-05-08
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.
J.Med.Chem., 49, 2006
8G6B
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BU of 8g6b by Molmil
Crystal structure of PfAMA1-RON2L chimera
分子名称: Apical membrane antigen 1, rhoptry neck protein 2 chimera, SULFATE ION
著者Boulanger, M.J, Ramaswamy, R.
登録日2023-02-14
公開日2023-09-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure guided mimicry of an essential P. falciparum receptor-ligand complex enhances cross neutralizing antibodies.
Nat Commun, 14, 2023
6KRU
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BU of 6kru by Molmil
Crystal structure of mouse IgG2b Fc
分子名称: Ig gamma-2B chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Taniguchi, Y, Satoh, T, Yagi, H, Kato, K.
登録日2019-08-22
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q.
Int J Mol Sci, 21, 2019
6KRV
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BU of 6krv by Molmil
Crystal structure of mouse IgG2b Fc complexed with B domain of Protein A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2B chain C region, ...
著者Taniguchi, Y, Satoh, T, Yagi, H, Kato, K.
登録日2019-08-22
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献On-Membrane Dynamic Interplay between Anti-GM1 IgG Antibodies and Complement Component C1q.
Int J Mol Sci, 21, 2019
5UR9
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Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5
分子名称: (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, epidermal, ...
著者Hsu, H.-C, Li, H.
登録日2017-02-09
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.19800353 Å)
主引用文献The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites.
Biochemistry, 56, 2017

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