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PDB: 162 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
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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BU of 5f36 by Molmil
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
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
5D1I
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BU of 5d1i by Molmil
Structure of Cyclic nucleotide-binding-like protein from Brucella abortus bv. 1 str. 9-941
分子名称: Cyclic nucleotide-binding protein
著者He, Z, Dong, J, Li, X, Gao, Y.
登録日2015-08-04
公開日2015-09-09
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of cyclic nucleotide-binding-like protein from Brucella abortus
Biochem.Biophys.Res.Commun., 468, 2015
1XF7
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BU of 1xf7 by Molmil
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
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
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
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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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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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
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
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
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
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
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
5IMX
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Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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
3T4F
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Crystal Structure of a KGE Collagen Mimetic Peptide at 1.68 A
分子名称: collagen mimetic peptide
著者Fallas, J.A, Dong, J, Miller, M.D, Tao, Y.J, Hartgerink, J.D.
登録日2011-07-25
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural insights into charge pair interactions in triple helical collagen-like proteins.
J.Biol.Chem., 287, 2012
8JBW
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BU of 8jbw by Molmil
Crystal structure of ZtHPPD-(+)-Usnic acid complex
分子名称: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2023-05-09
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.
J.Agric.Food Chem., 71, 2023
8J8X
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Crystal structure of AtHPPD-YH20307 complex
分子名称: 4-hydroxyphenylpyruvate dioxygenase, 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2023-05-02
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Crystal structure of AtHPPD-YH20307 complex
To Be Published
8J8W
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Crystal structure of AtHPPD-Y19788 complex
分子名称: 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
著者Lin, H.-Y, Dong, J, Yang, G.-F.
登録日2023-05-02
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Crystal structure of AtHPPD-Y19788 complex
To Be Published
3U29
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Crystal Structure of a KGD Collagen Mimetic Peptide at 2.0 A
分子名称: collagen mimetic peptide
著者Fallas, J.A, Dong, J, Miller, M.D, Tao, Y.J, Hartgerink, J.D.
登録日2011-10-02
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into charge pair interactions in triple helical collagen-like proteins.
J.Biol.Chem., 287, 2012

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