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PDB: 160 件
5E0R
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Crystal Structure of the first bromodomain of BRD4 in complex with AYC
分子名称: 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
著者Dong, J, Caflisch, A.
登録日2015-09-29
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献Crystal Structure of the first bromodomain of BRD4 in complex with AYC
To Be Published
5EPB
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BU of 5epb by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
To Be Published
5F3A
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BU of 5f3a by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
著者Dong, J, Caflisch, A.
登録日2015-12-02
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
To Be Published
5F36
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Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ...
著者Dong, J, Caflisch, A.
登録日2015-12-02
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
8WQM
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BU of 8wqm by Molmil
Complex structure of AtHPPD with Atovaquone
分子名称: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, G.-F, Lin, H.-Y, Dong, J.
登録日2023-10-11
公開日2024-03-13
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Complex structure of AtHPPD with Atovaquone
To Be Published
5X5X
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BU of 5x5x by Molmil
Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, Fd chain of anti-osteocalcin antibody KTM219, ...
著者Komatsu, M, Dong, J, Ueda, H, Arai, R.
登録日2017-02-18
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219
To be published
4MYU
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BU of 4myu by Molmil
Crystal structure of elongation factor G mutant(EFG)
分子名称: Elongation factor G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Liu, G, Dong, J, Gong, W, Qin, Y.
登録日2013-09-28
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Crystal structure of elongation factor G mutant(EFG)
To be published
4MYT
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BU of 4myt by Molmil
Crystal structure of elongation factor G (EFG)
分子名称: Elongation factor G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Liu, G, Dong, J, Gong, W, Qin, Y.
登録日2013-09-28
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.505 Å)
主引用文献Crystal structure of elongation factor G (EFG)
To be published
6TTE
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BU of 6tte by Molmil
Beta-galactosidase in complex with PETG
分子名称: 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-27
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TTI
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BU of 6tti by Molmil
PKM2 in complex with Compound 6
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, DIMETHYL SULFOXIDE, Pyruvate kinase PKM, ...
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-27
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TSH
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BU of 6tsh by Molmil
Beta-galactosidase in complex with deoxygalacto-nojirimycin
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-20
公開日2020-01-08
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TTH
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BU of 6tth by Molmil
PKM2 in complex with L-threonine
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-27
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TTQ
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BU of 6ttq by Molmil
PKM2 in complex with Compound 10
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-30
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TSK
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BU of 6tsk by Molmil
Beta-galactosidase in complex with L-ribose
分子名称: Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-20
公開日2020-01-08
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TTF
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BU of 6ttf by Molmil
PKM2 in complex with Compound 5
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 5-hydroxynaphthalene-1-sulfonamide, Pyruvate kinase PKM
著者Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
登録日2019-12-27
公開日2020-01-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
8HOW
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BU of 8how by Molmil
Crystal structure of AtHPPD-Y191052 complex
分子名称: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Yang, G.-F, Lin, H.-Y, Dong, J.
登録日2022-12-11
公開日2023-01-25
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
分子名称: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
著者Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
登録日2019-08-13
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
3K3Q
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Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain
分子名称: Botulinum neurotoxin type A, ZINC ION, llama Aa1 VHH domain
著者Thompson, A.A, Dong, J, Marks, J.D, Stevens, R.C.
登録日2009-10-04
公開日2010-02-23
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Single-Domain Llama Antibody Potently Inhibits the Enzymatic Activity of Botulinum Neurotoxin by Binding to the Non-Catalytic alpha-Exosite Binding Region.
J.Mol.Biol., 397, 2010
1ON8
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BU of 1on8 by Molmil
Crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) with UDP and GlcUAb(1-3)Galb(1-O)-naphthalenelmethanol an acceptor substrate analog
分子名称: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ...
著者Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
登録日2003-02-27
公開日2003-04-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
1OMZ
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BU of 1omz by Molmil
crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) in complex with UDPGalNAc
分子名称: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ...
著者Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
登録日2003-02-26
公開日2003-04-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
4HK4
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Crystal structure of apo Tyrosine-tRNA ligase mutant protein
分子名称: DI(HYDROXYETHYL)ETHER, Tyrosine--tRNA ligase
著者Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J.
登録日2012-10-15
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Crystal structure of apo Tyrosine-tRNA ligase mutant protein
To be Published
4HPW
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Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine
分子名称: 3-methoxy-L-tyrosine, Tyrosine--tRNA ligase
著者Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J.
登録日2012-10-24
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine
To be Published
1OMX
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Crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2)
分子名称: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2
著者Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
登録日2003-02-26
公開日2003-04-22
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
1ON6
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Crystal structure of mouse alpha-1,4-N-acetylhexosaminotransferase (EXTL2) in complex with UDPGlcNAc
分子名称: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ...
著者Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
登録日2003-02-27
公開日2003-04-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
1XF7
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High Resolution NMR Structure of the Wilms' Tumor Suppressor Protein (WT1) Finger 3
分子名称: Wilms' Tumor Protein, ZINC ION
著者Lachenmann, M.J, Ladbury, J.E, Dong, J, Huang, K, Carey, P, Weiss, M.A.
登録日2004-09-14
公開日2004-12-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Why zinc fingers prefer zinc: ligand-field symmetry and the hidden thermodynamics of metal ion selectivity
Biochemistry, 43, 2004

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