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PDB: 281 件

5AQO
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-METHYLQUINAZOLIN-4-AMINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQG
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Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
6KZW
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BU of 6kzw by Molmil
Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
分子名称: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
著者Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
登録日2019-09-25
公開日2019-10-16
最終更新日2021-01-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
To Be Published
6L3E
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BU of 6l3e by Molmil
Crystal structure of Salmonella enterica sugar-binding protein MalE
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y.
登録日2019-10-10
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of Salmonella enterica sugar-binding protein MalE
To Be Published
6L0Z
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BU of 6l0z by Molmil
The crystal structure of Salmonella enterica sugar-binding protein MalE
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-anhydro-D-glucitol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y.
登録日2019-09-27
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of Salmonella enterica sugar-binding protein MalE
To Be Published
6E8W
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BU of 6e8w by Molmil
MPER-TM Domain of HIV-1 envelope glycoprotein (Env)
分子名称: Envelope glycoprotein gp160
著者Fu, Q, Shaik, M.M, Cai, Y, Ghantous, F, Piai, A, Peng, H, Rits-Volloch, S, Liu, Z, Harrison, S.C, Seaman, M.S, Chen, B, Chou, J.J.
登録日2018-07-31
公開日2018-09-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the membrane proximal external region of HIV-1 envelope glycoprotein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6L19
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BU of 6l19 by Molmil
The crystal structure of competence or damage-inducible protein from Enterobacter asburiae
分子名称: CHLORIDE ION, GLYCEROL, PncC family amidohydrolase, ...
著者Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y.
登録日2019-09-28
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The crystal structure of Competence or damage-inducible protein from Enterobacter asburiae
To Be Published
4I5I
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BU of 4i5i by Molmil
Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog
分子名称: (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Zhao, X, Allison, D, Condon, B, Zhang, F, Gheyi, T, Zhang, A, Ashok, S, Russell, M, Macewan, I, Qian, Y, Jamison, J.A, Luz, J.G.
登録日2012-11-28
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.
J.Med.Chem., 56, 2013
4HXX
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Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1
分子名称: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ...
著者Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
6JFI
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BU of 6jfi by Molmil
The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
分子名称: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ...
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-08
公開日2019-04-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6JFH
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BU of 6jfh by Molmil
The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
分子名称: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ...
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-08
公開日2019-04-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (20 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6JEP
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BU of 6jep by Molmil
Structure of a neutralizing antibody bound to the Zika envelope protein domain III
分子名称: Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-07
公開日2019-05-15
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.316 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
8UYO
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BU of 8uyo by Molmil
Structure of a recombinant human PNMA2 capsid
分子名称: Paraneoplastic antigen Ma2
著者Wilkinson, M.E, Madigan, V, Zhang, Y, Zhang, F.
登録日2023-11-13
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Human paraneoplastic antigen Ma2 (PNMA2) forms icosahedral capsids that can be engineered for mRNA delivery.
Proc.Natl.Acad.Sci.USA, 121, 2024
7LPE
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BU of 7lpe by Molmil
Cryo-EM structure of full-length TRPV1 with capsaicin at 48 degrees Celsius, in an open state, class 1
分子名称: (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily V member 1, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
7LPA
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BU of 7lpa by Molmil
Cryo-EM structure of full-length TRPV1 with capsaicin at 4 degrees Celsius
分子名称: (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
7LP9
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BU of 7lp9 by Molmil
Cryo-EM structure of full-length TRPV1 at 4 degrees Celsius
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
7LPB
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BU of 7lpb by Molmil
Cryo-EM structure of full-length TRPV1 with capsaicin at 25 degrees Celsius
分子名称: (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
5DEJ
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BU of 5dej by Molmil
Transthyretin natural mutant A19D
分子名称: CALCIUM ION, Transthyretin
著者Pereira, H.M, Ferreira, P, Andrade, C, Lima, C, Palhano, F, Foguel, D.
登録日2015-08-25
公開日2016-08-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of human Transthyretin natural mutant A19D
To Be Published
7LPC
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Cryo-EM structure of full-length TRPV1 at 48 degrees Celsius
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol, Phosphatidylinositol, ...
著者Kwon, D.H, Zhang, F, Suo, Y, Lee, S.-Y.
登録日2021-02-11
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Heat-dependent opening of TRPV1 in the presence of capsaicin.
Nat.Struct.Mol.Biol., 28, 2021
5AQQ
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BU of 5aqq by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AQR
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BU of 5aqr by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methoxyquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
3BUT
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BU of 3but by Molmil
Crystal structure of protein Af_0446 from Archaeoglobus fulgidus
分子名称: Uncharacterized protein Af_0446
著者Bonanno, J.B, Patskovsky, Y, Ozyurt, S, Ashok, S, Zhang, F, Groshong, C, Wasserman, S.R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-01-03
公開日2008-01-15
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of protein Af_0446 from Archaeoglobus fulgidus.
To be Published
3H4M
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BU of 3h4m by Molmil
AAA ATPase domain of the proteasome- activating nucleotidase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Proteasome-activating nucleotidase
著者Jeffrey, P, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y.
登録日2009-04-20
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.106 Å)
主引用文献Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
3E64
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BU of 3e64 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E63
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BU of 3e63 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009

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