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PDB: 163 件
6E8V
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BU of 6e8v by Molmil
The crystal structure of bovine ultralong antibody BOV-1
分子名称: Bovine ultralong antibody BOV-1 Heavy chain, Bovine ultralong antibody BOV-1 light chain
著者Dong, J, Crowe, J.E.
登録日2018-07-31
公開日2019-09-04
最終更新日2020-10-21
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains.
Front Immunol, 10, 2019
6E9H
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BU of 6e9h by Molmil
The crystal structure of bovine ultralong antibody BOV-3
分子名称: Bovine ultralong antibody BOV-3 heavy chain, Bovine ultralong antibody BOV-3 light chain
著者Dong, J, Crowe, J.E.
登録日2018-08-01
公開日2019-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains.
Front Immunol, 10, 2019
2AEM
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BU of 2aem by Molmil
Crystal Structures of the MthK RCK Domain
分子名称: Calcium-gated potassium channel mthK
著者Dong, J, Shi, N, Berke, I, Chen, L, Jiang, Y.
登録日2005-07-22
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of the MthK RCK Domain and the Effect of Ca2+ on Gating Ring Stability
J.Biol.Chem., 280, 2005
2AEJ
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BU of 2aej by Molmil
Crystal Structures of the MthK RCK Domain in no Ca2+ bound form
分子名称: Calcium-gated potassium channel mthK
著者Dong, J, Shi, N, Berke, I, Chen, L, Jiang, Y.
登録日2005-07-22
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the MthK RCK Domain and the Effect of Ca2+ on Gating Ring Stability
J.Biol.Chem., 280, 2005
2AEF
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BU of 2aef by Molmil
Crystal Structures of the MthK RCK Domain in Ca2+ bound form
分子名称: CALCIUM ION, Calcium-gated potassium channel mthK
著者Dong, J, Shi, N, Berke, I, Chen, L, Jiang, Y.
登録日2005-07-22
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the MthK RCK Domain and the Effect of Ca2+ on Gating Ring Stability
J.Biol.Chem., 280, 2005
4GF6
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BU of 4gf6 by Molmil
crystal structure of GFP with cuprum bound at the Incorporated metal Chelating Amino Acid PYZ151
分子名称: CALCIUM ION, COPPER (II) ION, green fluorescent protein
著者Dong, J, Liu, X, Li, J, Wang, J, Gong, W.
登録日2012-08-03
公開日2012-08-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012
4GES
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BU of 4ges by Molmil
crystal structure of GFP-TYR151PYZ with an unnatural amino acid incorporation
分子名称: Green fluorescent protein
著者Dong, J, Liu, X, Li, J, Wang, J, Gong, W.
登録日2012-08-02
公開日2012-08-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012
5OBO
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BU of 5obo by Molmil
Crystal structure of nitrite bound D97N mutant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii
分子名称: COPPER (II) ION, GLYCEROL, HEME C, ...
著者Dong, J, Sasaki, D, Eady, R, Antonyuk, S.V, Hasnain, S.S.
登録日2017-06-28
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Activation of redox tyrosine switch is required for ligand binding at the catalytic site in heme-cu nitrite reductases
To be published
5OCB
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BU of 5ocb by Molmil
Crystal structure of nitric oxide bound D97N mutant of three-domain heme-Cu nitrite reductase from Ralstonia pickettii
分子名称: COPPER (II) ION, HEME C, NITRIC OXIDE, ...
著者Dong, J, Sasaki, D, Eady, R, Antonyuk, S.V, Hasnain, S.S.
登録日2017-06-30
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Activation of redox tyrosine switch is required for ligand binding at the catalytic site in heme-cu nitrite reductases
To be published
5OCF
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BU of 5ocf by Molmil
Crystal structure of nitric oxide bound to three-domain heme-Cu nitrite reductase from Ralstonia pickettii
分子名称: COPPER (II) ION, HEME C, NITRIC OXIDE, ...
著者Dong, J, Sasaki, D, Eady, R, Antonyuk, S.V, Hasnain, S.S.
登録日2017-06-30
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Activation of redox tyrosine switch is required for ligand binding at the catalytic site in heme-cu nitrite reductases
To be published
5ZM6
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BU of 5zm6 by Molmil
Crystal structure of ORP1-ORD in complex with PI(4,5)P2
分子名称: ACETATE ION, Oxysterol-binding protein-related protein 1, [(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
著者Dong, J, Wang, J, Luo, Z, Wu, J.W.
登録日2018-04-01
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2.
Nat Commun, 10, 2019
5ZM7
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BU of 5zm7 by Molmil
Crystal structure of ORP1-ORD in complex with cholesterol at 3.4 A resolution
分子名称: CHOLESTEROL, Oxysterol-binding protein-related protein 1
著者Dong, J, Wang, J, Wu, J.W.
登録日2018-04-01
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.401 Å)
主引用文献Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2.
Nat Commun, 10, 2019
5ZM5
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BU of 5zm5 by Molmil
Crystal structure of human ORP1-ORD in complex with cholesterol at 2.6 A resolution
分子名称: CHOLESTEROL, Oxysterol-binding protein-related protein 1
著者Dong, J, Wang, J, Wu, J.W.
登録日2018-04-01
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric enhancement of ORP1-mediated cholesterol transport by PI(4,5)P2/PI(3,4)P2.
Nat Commun, 10, 2019
4G2F
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BU of 4g2f by Molmil
Human EphA3 kinase domain in complex with compound 7
分子名称: 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3
著者Dong, J, Caflisch, A.
登録日2012-07-12
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.
ACS MED.CHEM.LETT., 3, 2012
4GK3
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BU of 4gk3 by Molmil
Human EphA3 Kinase domain in complex with ligand 87
分子名称: 8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3
著者Dong, J, Caflisch, A.
登録日2012-08-10
公開日2013-01-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography.
J.Med.Chem., 56, 2013
4GK2
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BU of 4gk2 by Molmil
Human EphA3 Kinase domain in complex with ligand 66
分子名称: 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3
著者Dong, J, Caflisch, A.
登録日2012-08-10
公開日2013-01-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography.
J.Med.Chem., 56, 2013
4GK4
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BU of 4gk4 by Molmil
Human EphA3 Kinase domain in complex with ligand 90
分子名称: 8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3
著者Dong, J, Caflisch, A.
登録日2012-08-10
公開日2013-01-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography.
J.Med.Chem., 56, 2013
4P5Q
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BU of 4p5q by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
分子名称: 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
著者Dong, J, Caflisch, A.
登録日2014-03-19
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
4P4C
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BU of 4p4c by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
分子名称: 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3
著者Dong, J, Caflisch, A.
登録日2014-03-12
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
4PCE
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BU of 4pce by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13
分子名称: 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4
著者Dong, J, Caflisch, A.
登録日2014-04-15
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.293 Å)
主引用文献Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
4PCI
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BU of 4pci by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with B16
分子名称: (4S)-1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Dong, J, Caflisch, A.
登録日2014-04-15
公開日2014-05-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
4P5Z
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BU of 4p5z by Molmil
Human EphA3 Kinase domain in complex with quinoxaline derivatives
分子名称: 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3
著者Dong, J, Caflisch, A.
登録日2014-03-20
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation.
J.Med.Chem., 57, 2014
5ENG
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BU of 5eng by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UP39
分子名称: CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
著者Dong, J, Caflisch, A.
登録日2015-11-09
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5EP7
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BU of 5ep7 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UN32
分子名称: 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2015-11-11
公開日2016-11-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5EIC
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Crystal structure of the bromodomain of human CREBBP in complex with AYC
分子名称: 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
著者Dong, J, Caflisch, A.
登録日2015-10-29
公開日2016-11-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018

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