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6TKY
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BU of 6tky by Molmil
Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42
分子名称: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL
著者Barford, D, Fan, D, Cronin, N, Yang, J.
登録日2019-11-29
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10
Biorxiv, 2022
5GO0
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BU of 5go0 by Molmil
Solution structure of nedd8 from Trypanosoma brucei
分子名称: Ubiquitin, putative
著者Wang, R, Liao, S, Zhang, J, Tu, X.
登録日2016-07-25
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of nedd8 from Trypanosoma brucei
To Be Published
6JPD
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BU of 6jpd by Molmil
Mouse receptor-interacting protein kinase 3 (RIP3) amyloid structure by solid-state NMR
分子名称: Receptor-interacting serine/threonine-protein kinase 3
著者Wu, X.L, Hu, H, Zhang, J, Dong, X.Q, Wang, J, Schwieters, C, Wang, H.Y, Lu, J.X.
登録日2019-03-26
公開日2020-10-28
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献The amyloid structure of mouse RIPK3 (receptor interacting protein kinase 3) in cell necroptosis.
Nat Commun, 12, 2021
3ZN3
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BU of 3zn3 by Molmil
N-terminal domain of S. pombe Cdc23 APC subunit
分子名称: ANAPHASE-PROMOTING COMPLEX SUBUNIT 8, MERCURY (II) ION
著者Zhang, Z, Yang, J, Conin, N, Kulkarni, K, Barford, D.
登録日2013-02-13
公開日2013-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Four Canonical Tpr Subunits of Human Apc/C Form Related Homo-Dimeric Structures and Stack in Parallel to Form a Tpr Suprahelix
J.Mol.Biol., 425, 2013
6WDO
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BU of 6wdo by Molmil
Cryo-EM structure of mitochondrial calcium uniporter holocomplex in high Ca2+
分子名称: CALCIUM ION, Calcium uniporter protein, mitochondrial, ...
著者Feng, L, Zhang, J, Fan, M.
登録日2020-04-01
公開日2020-05-27
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and mechanism of the mitochondrial Ca2+uniporter holocomplex.
Nature, 582, 2020
8J4I
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BU of 8j4i by Molmil
Unveiling the Role of Human Prohibitin 2 as a Mitochondrial Calcium Channel in Parkinson's Disease
分子名称: Prohibitin-2
著者Li, Y.Y, Fang, Y, Gao, Y.X, Ding, W, Yang, J, Liu, Y, Shen, B, Wang, J.F, Zhou, S.
登録日2023-04-20
公開日2024-06-05
実験手法SOLUTION NMR
主引用文献Human Prohibitin 2 is a Mitochondrial Ca2+-Selective Channel
To Be Published
5CTW
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BU of 5ctw by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ...
著者Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTX
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BU of 5ctx by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CPH
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BU of 5cph by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-21
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5C8C
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BU of 5c8c by Molmil
Crystal structure of recombinant coxsackievirus A16 capsid
分子名称: CHLORIDE ION, POTASSIUM ION, STEARIC ACID, ...
著者Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I.
登録日2015-06-25
公開日2015-09-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity.
J.Virol., 89, 2015
3TI5
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BU of 3ti5 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with Zanamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI6
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BU of 3ti6 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TIB
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BU of 3tib by Molmil
Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
4K48
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BU of 4k48 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
分子名称: Leucine--tRNA ligase
著者Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
登録日2013-04-12
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
6CYW
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BU of 6cyw by Molmil
Structure of sphingomyelin in complex with mouse CD1d
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Wang, J.
登録日2018-04-06
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Control of CD1d-restricted antigen presentation and inflammation by sphingomyelin.
Nat.Immunol., 20, 2019
5CTU
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BU of 5ctu by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ...
著者Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
登録日2015-07-24
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
3TI8
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BU of 3ti8 by Molmil
Crystal structure of influenza A virus neuraminidase N5 complexed with laninamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI3
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BU of 3ti3 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI4
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BU of 3ti4 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir octanoate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, ACETATE ION, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TIC
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BU of 3tic by Molmil
Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with zanamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TIA
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BU of 3tia by Molmil
Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ...
著者Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
登録日2011-08-20
公開日2011-11-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
2FZF
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BU of 2fzf by Molmil
Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus
分子名称: hypothetical protein
著者Fu, Z.-Q, Liu, Z.-J, Lee, D, Kelley, L, Chen, L, Tempel, W, Shah, N, Horanyi, P, Lee, H.S, Habel, J, Dillard, B.D, Nguyen, D, Chang, S.-H, Zhang, H, Chang, J, Sugar, F.J, Poole, F.L, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2006-02-09
公開日2006-02-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus
To be published
5ZAL
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BU of 5zal by Molmil
Cryo-EM structure of human Dicer and its complexes with a pre-miRNA substrate
分子名称: Endoribonuclease Dicer, RISC-loading complex subunit TARBP2, RNA (73-mer)
著者Liu, Z, Wang, J, Cheng, H, Ke, X, Sun, L, Zhang, Q.C, Wang, H.-W.
登録日2018-02-07
公開日2018-05-09
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Cryo-EM Structure of Human Dicer and Its Complexes with a Pre-miRNA Substrate.
Cell, 173, 2018
5DQC
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BU of 5dqc by Molmil
Co-crystal of BACE1 with compound 0211
分子名称: Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D.
登録日2015-09-14
公開日2016-02-17
最終更新日2016-07-13
実験手法X-RAY DIFFRACTION (2.4651 Å)
主引用文献Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes.
Chem Sci, 7, 2016
7YHN
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BU of 7yhn by Molmil
ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ...
著者Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X.
登録日2022-07-14
公開日2023-07-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site.
J.Med.Chem., 65, 2022

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