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3SZ0
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BU of 3sz0 by Molmil
Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans in complex with sodium selenide
分子名称: DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, SELENIUM ATOM, ...
著者Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H.
登録日2011-07-18
公開日2012-05-16
最終更新日2012-07-25
実験手法X-RAY DIFFRACTION (2.1501 Å)
主引用文献Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
3S2Y
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BU of 3s2y by Molmil
Crystal structure of a chromate/uranium reductase from Gluconacetobacter hansenii
分子名称: CHLORIDE ION, Chromate reductase, FLAVIN MONONUCLEOTIDE, ...
著者Jin, H, Zhang, Y, Buchko, G.W, Li, P, Squier, T.C, Robinson, H, Varnum, S.M, Long, P.E.
登録日2011-05-17
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii.
Plos One, 7, 2012
3SXI
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BU of 3sxi by Molmil
Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans complexed with decylubiquinone
分子名称: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H.
登録日2011-07-14
公開日2012-05-16
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.1792 Å)
主引用文献Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
3T2K
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BU of 3t2k by Molmil
Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans with bound trisulfane
分子名称: DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H.
登録日2011-07-22
公開日2012-05-16
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3501 Å)
主引用文献Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
3T31
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BU of 3t31 by Molmil
Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans in complex with decylubiquinone
分子名称: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cherney, M.M, Zhang, Y, Solomonson, M, Weiner, J.H, James, M.N.
登録日2011-07-24
公開日2011-08-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans: insights into sulfidotrophic respiration and detoxification.
J.Mol.Biol., 398, 2010
3SY4
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BU of 3sy4 by Molmil
Crystal structure of sulfide:quinone oxidoreductase Ser126Ala variant from Acidithiobacillus ferrooxidans
分子名称: DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ...
著者Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H.
登録日2011-07-15
公開日2012-05-16
最終更新日2012-06-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
3SYI
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BU of 3syi by Molmil
Crystal structure of sulfide:quinone oxidoreductase Ser126Ala variant from Acidithiobacillus ferrooxidans using 7.0 keV diffraction data
分子名称: DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ...
著者Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H.
登録日2011-07-17
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2001 Å)
主引用文献Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
7DHS
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BU of 7dhs by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one, Bromodomain-containing protein 4
著者Wu, T, Xiang, Q, Wang, C, Wu, C, Zhang, C, Zhang, M, Liu, Z, Zhang, Y, Xiao, L, Xu, Y.
登録日2020-11-17
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Y06014 is a selective BET inhibitor for the treatment of prostate cancer.
Acta Pharmacol.Sin., 42, 2021
3TFP
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BU of 3tfp by Molmil
Crystal Structure of Dehydrosqualene Synthase (CrtM) from S. aureus Complexed with BPH-1162
分子名称: 2-({2-chloro-6-[(2,4-dichlorophenyl)sulfanyl]benzyl}carbamoyl)benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
3T14
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BU of 3t14 by Molmil
Crystal structure of sulfide:quinone oxidoreductase Cys128Ala variant from Acidithiobacillus ferrooxidans with bound disulfide
分子名称: DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, HYDROSULFURIC ACID, ...
著者Cherney, M.M, Zhang, Y, James, M.N.G, Weiner, J.H.
登録日2011-07-21
公開日2012-05-16
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure-activity characterization of sulfide:quinone oxidoreductase variants.
J.Struct.Biol., 178, 2012
3TFV
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BU of 3tfv by Molmil
Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154
分子名称: 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION
著者Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E.
登録日2011-08-16
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
3UV7
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BU of 3uv7 by Molmil
Ec_IspH in complex with buta-2,3-dienyl diphosphate (1300)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, buta-2,3-dien-1-yl trihydrogen diphosphate
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-29
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV6
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BU of 3uv6 by Molmil
Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301)
分子名称: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-29
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UWM
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BU of 3uwm by Molmil
Ec_IspH in complex with 4-oxobutyl diphosphate (1302)
分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ...
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
登録日2011-12-02
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
分子名称: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3UAX
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BU of 3uax by Molmil
Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with inosine
分子名称: GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ...
著者Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3V8W
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BU of 3v8w by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
分子名称: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
7WQ4
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BU of 7wq4 by Molmil
Galanin-bound galanin receptor 2 in complex with Gq
分子名称: CHOLESTEROL, Engineered Guanine nucleotide-binding protein G(q) subunit alpha, Galanin, ...
著者Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
登録日2022-01-24
公開日2022-04-20
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022
7WQ3
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BU of 7wq3 by Molmil
Galanin-bound galanin receptor 1 in complex with Gi
分子名称: CHOLESTEROL, Galanin, Galanin receptor type 1, ...
著者Duan, J, Shen, D.D, Xu, H.E, Zhang, Y, Jiang, Y.
登録日2022-01-24
公開日2022-04-20
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Molecular basis for allosteric agonism and G protein subtype selectivity of galanin receptors
Nat Commun, 13, 2022
3V5L
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BU of 3v5l by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
分子名称: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3UTC
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BU of 3utc by Molmil
Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate
分子名称: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M.
登録日2011-11-25
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
8IK1
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BU of 8ik1 by Molmil
EstL5 in complex of PMSF
分子名称: GDSL family lipase, HEXANE-1,6-DIOL
著者Chen, R, Zhang, Y.
登録日2023-02-28
公開日2023-03-29
最終更新日2023-06-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献EstL5 in complex of PMSF
To Be Published
3UAY
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BU of 3uay by Molmil
Crystal structure of Bacillus cereus adenosine phosphorylase D204N mutant complexed with adenosine
分子名称: ADENOSINE, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ...
著者Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E.
登録日2011-10-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
3VFE
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BU of 3vfe by Molmil
Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group
分子名称: 4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide, Kallikrein-6
著者Chen, X, Zhang, Y, Xia, T, Wang, R.
登録日2012-01-09
公開日2012-11-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.
Acs Med.Chem.Lett., 3, 2012
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012

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