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3DP3
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BU of 3dp3 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3q
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide, BENZAMIDINE, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP1
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BU of 3dp1 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3n
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
3DP0
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BU of 3dp0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
登録日2008-07-07
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
4G2Y
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BU of 4g2y by Molmil
Crystal structure of PDE5A complexed with its inhibitor
分子名称: 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Ren, J, Chen, T.T, Xu, Y.C.
登録日2012-07-13
公開日2013-06-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4PLJ
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BU of 4plj by Molmil
Hepatitis E Virus E2s domain (Genotype IV) in complex with a neutralizing antibody 8G12
分子名称: 8G12 heavy chain, 8G12 light chain, Capsid protein
著者Tang, X.H, Li, S.W, Sivaraman, J.
登録日2014-05-18
公開日2015-04-15
最終更新日2015-05-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
4PLK
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BU of 4plk by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody 8G12
分子名称: 8G12 heavy chain, 8G12 light chain, Capsid protein
著者Tang, X.H, Li, S.W, Sivaraman, J.
登録日2014-05-18
公開日2015-04-08
最終更新日2015-05-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
4G2W
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BU of 4g2w by Molmil
Crystal structure of PDE5A in complex with its inhibitor
分子名称: 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Ren, J, Chen, T.T, Xu, Y.C.
登録日2012-07-13
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
8ETN
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BU of 8etn by Molmil
The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice
分子名称: Tri-Ketone Dioxygenase
著者Rydel, T.J, Duda, D, Zheng, M, Duff, S.M.G.
登録日2022-10-17
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Structural and functional characterization of triketone dioxygenase from Oryza Sativa.
Biochim Biophys Acta Gen Subj, 1868, 2023
7E6V
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BU of 7e6v by Molmil
The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa
分子名称: ACETATE ION, Protein 2C
著者Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S.
登録日2021-02-24
公開日2022-06-29
最終更新日2022-07-20
実験手法X-RAY DIFFRACTION (1.832 Å)
主引用文献An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein.
Cell Rep, 40, 2022
3SXK
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BU of 3sxk by Molmil
Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator
分子名称: BICARBONATE ION, SULFATE ION, Transcriptional regulator, ...
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator
To be Published
3SXM
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BU of 3sxm by Molmil
Metal-free FCD domain of TM0439 a putative transcriptional regulator
分子名称: BICARBONATE ION, Transcriptional regulator, GntR family
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Metal-free FCD domain of TM0439 a putative transcriptional regulator
To be Published
3SXY
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BU of 3sxy by Molmil
Metal-free full-length structure of Tm0439, a metal-binding FCD family transcriptional regulator
分子名称: Transcriptional regulator, GntR family
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.647 Å)
主引用文献Metal-free full-length structure of Tm0439, a metal-binding FCD family transcriptional regulator
To be Published
3SXZ
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BU of 3sxz by Molmil
Metal-free FCD domain of TM0439 a putative transcriptional regulator
分子名称: Transcriptional regulator, GntR family
著者Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
登録日2011-07-15
公開日2011-11-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Metal-free FCD domain of TM0439 a putative transcriptional regulator
To be Published
2M8T
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BU of 2m8t by Molmil
Solution NMR structure of the V209M variant of the human prion protein (residues 90-231)
分子名称: Major prion protein
著者Mills, J.L, Surewicz, K, Surewicz, W, Soennichsen, F.D.
登録日2013-05-28
公開日2013-09-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Thermodynamic Stabilization of the Folded Domain of Prion Protein Inhibits Prion Infection in Vivo.
Cell Rep, 4, 2013
8PC2
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BU of 8pc2 by Molmil
SelDeg51 in complex with FKBP51FK1 domain and pVHL:EloB:EloC
分子名称: Elongin-B, Elongin-C, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
著者Meyners, C, Walz, M, Geiger, T.M, Hausch, F.
登録日2023-06-09
公開日2023-11-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a Potent Proteolysis Targeting Chimera Enables Targeting the Scaffolding Functions of FK506-Binding Protein 51 (FKBP51).
Angew.Chem.Int.Ed.Engl., 63, 2024
8PDF
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BU of 8pdf by Molmil
FKBP12 in complex with PROTAC 6a2
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[4-[(1~{S})-1-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethyl]-1,2,3-triazol-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP1A
著者Meyners, C, Walz, M, Geiger, T.M, Hausch, F.
登録日2023-06-12
公開日2023-11-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery of a Potent Proteolysis Targeting Chimera Enables Targeting the Scaffolding Functions of FK506-Binding Protein 51 (FKBP51).
Angew.Chem.Int.Ed.Engl., 63, 2024
8HLT
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BU of 8hlt by Molmil
The co-crystal structure of DYRK2 with YK-2-99B
分子名称: (6-{[(4P)-4-(1,3-benzothiazol-5-yl)-5-fluoropyrimidin-2-yl]amino}pyridin-3-yl)(piperazin-1-yl)methanone, Dual specificity tyrosine-phosphorylation-regulated kinase 2
著者Shen, H.T, Xiao, Y.B, Yuan, K, Yang, P, Li, Q.N.
登録日2022-12-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent DYRK2 Inhibitors with High Selectivity, Great Solubility, and Excellent Safety Properties for the Treatment of Prostate Cancer.
J.Med.Chem., 66, 2023
6J5Z
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BU of 6j5z by Molmil
Crystal structure of human HINT1 mutant complexing with AP3A
分子名称: ADENOSINE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2019-01-12
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6J65
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BU of 6j65 by Molmil
Crystal structure of human HINT1 mutant complexing with AP4A II
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2019-01-14
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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