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PDB: 208 件
5ALQ
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BU of 5alq by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALY
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BU of 5aly by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALR
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BU of 5alr by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL]QUINAZOLIN-4-AMINE, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALW
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BU of 5alw by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALP
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BU of 5alp by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM0
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BU of 5am0 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM2
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BU of 5am2 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 7-METHYL-2H-ISOQUINOLIN-1-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALK
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BU of 5alk by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AM3
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BU of 5am3 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-09
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALM
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BU of 5alm by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AI8
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BU of 5ai8 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 6-methyl-1,3-benzothiazol-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-02-12
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AHX
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BU of 5ahx by Molmil
Apo structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-02-10
公開日2015-05-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AK3
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BU of 5ak3 by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, INDAN-2-AMINE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-02
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AIB
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BU of 5aib by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 6-chloro-2H-1,4-benzoxazin-3(4H)-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-02-12
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALH
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BU of 5alh by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-N-(p-tolylmethyl)piperidine-1-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5ALF
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BU of 5alf by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5AKI
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BU of 5aki by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-03
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
7D5K
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BU of 7d5k by Molmil
CryoEM structure of cotton cellulose synthase isoform 7
分子名称: Cellulose synthase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Guan, Z.Y, Xue, Y, Yin, P, Zhang, X.L.
登録日2020-09-26
公開日2021-07-28
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into homotrimeric assembly of cellulose synthase CesA7 from Gossypium hirsutum.
Plant Biotechnol J, 19, 2021
7Q3V
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BU of 7q3v by Molmil
Re-refined structure of a type III antifreeze protein isoform HPLC 12
分子名称: Type-3 ice-structuring protein HPLC 12
著者Mikhailovskii, O, Xue, Y, Jia, Z, Skrynnikov, N.R.
登録日2021-10-28
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Modeling a unit cell: crystallographic refinement procedure using the biomolecular MD simulation platform Amber.
Iucrj, 9, 2022
2FUL
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BU of 2ful by Molmil
Crystal Structure of the C-terminal Domain of S. cerevisiae eIF5
分子名称: Eukaryotic translation initiation factor 5, SULFATE ION
著者Wei, Z, Xue, Y, Xu, H, Gong, W.
登録日2006-01-27
公開日2006-05-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of the C-terminal Domain of S.cerevisiae eIF5
J.Mol.Biol., 359, 2006
3W20
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BU of 3w20 by Molmil
Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD
分子名称: Putative uncharacterized protein, ZINC ION
著者Qin, H.M, Miyakawa, T, Jia, M.Z, Nakamura, A, Ohtsuka, J, Xue, Y.L, Kawashima, T, Kasahara, T, Hibi, M, Ogawa, J, Tanokura, M.
登録日2012-11-26
公開日2013-07-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD
Plos One, 8, 2013
3W21
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BU of 3w21 by Molmil
Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase in complex with alpha-KG from Burkholderia ambifaria AMMD
分子名称: 2-OXOGLUTARIC ACID, Putative uncharacterized protein, ZINC ION
著者Qin, H.M, Miyakawa, T, Jia, M.Z, Nakamura, A, Ohtsuka, J, Xue, Y.L, Kawashima, T, Kasahara, T, Hibi, M, Ogawa, J, Tanokura, M.
登録日2012-11-26
公開日2013-07-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of a Novel N-Substituted L-Amino Acid Dioxygenase from Burkholderia ambifaria AMMD
Plos One, 8, 2013
7XC8
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BU of 7xc8 by Molmil
Crystal structure of cotton alpha-like expansin GhEXLA1
分子名称: Beta-expansin, DI(HYDROXYETHYL)ETHER, GLYCEROL
著者Zhao, F, Men, S, Xue, Y, Tu, L.L, Yin, P, Zhang, X.L.
登録日2022-03-23
公開日2023-05-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of cotton alpha-like expansin GhEXLA1
To Be Published
6K7P
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BU of 6k7p by Molmil
Crystal structure of human AFF4-THD domain
分子名称: AF4/FMR2 family member 4
著者Tang, D, Xue, Y, Li, S, Cheng, W, Duan, J, Wang, J, Qi, S.
登録日2019-06-08
公開日2020-03-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional insight into the effect of AFF4 dimerization on activation of HIV-1 proviral transcription.
Cell Discov, 6, 2020
4AU8
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BU of 4au8 by Molmil
Crystal structure of compound 4a in complex with cdk5, showing an unusual binding mode to the hinge region via a water molecule
分子名称: 4-(1,3-benzothiazol-2-yl)thiophene-2-sulfonamide, CYCLIN-DEPENDENT KINASE 5, IMIDAZOLE, ...
著者Malmstrom, J, Viklund, J, Slivo, C, Costa, A, Maudet, M, Sandelin, C, Hiller, G, Olsson, L.L, Aagaard, A, Geschwindner, S, Xue, Y, Vasange, M.
登録日2012-05-14
公開日2013-03-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and Structure-Activity Relationship of 4-(1,3-Benzothiazol-2-Yl)-Thiophene-2-Sulfonamides as Cyclin-Dependent Kinase 5 (Cdk5)/P25 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012

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