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6L5P
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BU of 6l5p by Molmil
crystal structure of GgCGT in complex with UDP-Glu
分子名称: GgCGT, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L5S
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BU of 6l5s by Molmil
crystal structure of GgCGT in complex with UDP-Glu
分子名称: 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE, GLYCEROL, GgCGT, ...
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.914 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L5Q
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BU of 6l5q by Molmil
crystal structure of GgCGT in complex with UDP-Gal
分子名称: GALACTOSE-URIDINE-5'-DIPHOSPHATE, GgCGT
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-10-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
6L7H
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BU of 6l7h by Molmil
crystal structure of GgCGT in complex with UDP and Nothofagin
分子名称: 1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, GgCGT1, URIDINE-5'-DIPHOSPHATE
著者Zhang, M, Li, F.D, Ye, M.
登録日2019-11-01
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
8IE4
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BU of 8ie4 by Molmil
Crystal structure of GcCGT
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GcCGT
著者Zhang, M, Bao, Y, He, C, Ye, M.
登録日2023-02-15
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of GcCGT
To Be Published
6GT3
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BU of 6gt3 by Molmil
Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ...
著者Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R.
登録日2018-06-15
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity
J Immunother Cancer, 2020
3K3E
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BU of 3k3e by Molmil
Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691
分子名称: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H.
登録日2009-10-02
公開日2010-02-16
最終更新日2013-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
3K3H
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BU of 3k3h by Molmil
Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691
分子名称: 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H.
登録日2009-10-02
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
8I0D
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BU of 8i0d by Molmil
Sb3GT1 375S/Q377H mutant complex with UDP-Glc
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Wang, H.T, Wang, Z.L, Ye, M.
登録日2023-01-10
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8HZZ
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BU of 8hzz by Molmil
GuApiGT (UGT79B74)
分子名称: SULFATE ION, apiosyltransferase
著者Wang, H.T, Wang, Z.L, Li, F.D, Ye, M.
登録日2023-01-10
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8I0E
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BU of 8i0e by Molmil
Sb3GT1 complex with UDP
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Wang, H.T, Wang, Z.L, Ye, M.
登録日2023-01-10
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
8HOJ
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BU of 8hoj by Molmil
Crystal structure of UGT71AP2 in complex with UDP
分子名称: UGT71AP2, URIDINE-5'-DIPHOSPHATE
著者Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M.
登録日2022-12-10
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献crystal structure of UGT71AP2 in complex with UDP
To Be Published
8HOK
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BU of 8hok by Molmil
crystal structure of UGT71AP2
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, UGT71AP2
著者Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M.
登録日2022-12-10
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献crystal structure of UGT71AP2
To Be Published
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
分子名称: 3C-like proteinase
著者Yi, Y, Zhang, M, Ye, M.
登録日2021-08-21
公開日2022-06-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
8INH
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BU of 8inh by Molmil
ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase
分子名称: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Wang, Z.L, Wang, H.D, Li, F.D, Ye, M.
登録日2023-03-09
公開日2023-04-19
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di- O -glycosyltransferase from Ziziphus jujuba var. spinosa.
Chem Sci, 14, 2023
4H58
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BU of 4h58 by Molmil
BRAF in complex with compound 3
分子名称: CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf
著者Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B.
登録日2012-09-18
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
8EBO
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BU of 8ebo by Molmil
Homopurine parallel G-quadruplex from human chromosome 7 stabilized by K+ ions
分子名称: COBALT (III) ION, DNA (5'-D(*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*AP*AP*AP*GP*GP*GP*GP*A)-3'), N-METHYLMESOPORPHYRIN, ...
著者Chen, E.V, Yatsunyk, L.A.
登録日2022-08-31
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Homopurine guanine-rich sequences in complex with N-methyl mesoporphyrin IX form parallel G-quadruplex dimers and display a unique symmetry tetrad.
Bioorg.Med.Chem., 77, 2022
2LMZ
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BU of 2lmz by Molmil
Solution NMR structure of the novel conotoxin im23a from Conus imperialis
分子名称: Conotoxin im17a
著者Khoo, K.K, Galea, C.A, Boonyalai, N, Norton, R.S.
登録日2011-12-15
公開日2012-03-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A helical conotoxin from Conus imperialis has a novel cysteine framework and defines a new superfamily.
J.Biol.Chem., 287, 2012
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
分子名称: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
著者Deller, M.C, Epling, L.B.
登録日2023-11-02
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
8QNH
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BU of 8qnh by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
分子名称: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
分子名称: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
分子名称: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
著者Schimpl, M.
登録日2023-09-26
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
6JTD
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BU of 6jtd by Molmil
Crystal structure of TcCGT1 in complex with UDP
分子名称: 1,2-ETHANEDIOL, C-glycosyltransferase, URIDINE-5'-DIPHOSPHATE
著者Zhao, P, Yun, C.H.
登録日2019-04-10
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular and Structural Characterization of a Promiscuous C-Glycosyltransferase from Trollius chinensis.
Angew.Chem.Int.Ed.Engl., 58, 2019
5G06
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BU of 5g06 by Molmil
Cryo-EM structure of yeast cytoplasmic exosome
分子名称: EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ...
著者Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W.
登録日2016-03-17
公開日2016-06-15
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryoem Structure of Yeast Cytoplasmic Exosome Complex.
Cell Res., 26, 2016
5JO2
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BU of 5jo2 by Molmil
Crystal structure of abscisic acid-bound abscisic acid receptor PYL3 in complex with type 2C protein phosphatase HAB1
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, MAGNESIUM ION, ...
著者Weng, J.K, Noel, J.P.
登録日2016-05-01
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Co-evolution of Hormone Metabolism and Signaling Networks Expands Plant Adaptive Plasticity.
Cell, 166, 2016

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