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3OE9
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BU of 3oe9 by Molmil
Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup
分子名称: (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera
著者Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-08-12
公開日2010-10-27
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3ODU
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BU of 3odu by Molmil
The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ...
著者Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-08-11
公開日2010-10-27
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3OE6
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BU of 3oe6 by Molmil
Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, ...
著者Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-08-12
公開日2010-10-27
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3OE8
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BU of 3oe8 by Molmil
Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in P1 spacegroup
分子名称: (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera
著者Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-08-12
公開日2010-10-27
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3RZE
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BU of 3rze by Molmil
Structure of the human histamine H1 receptor in complex with doxepin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ...
著者Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR)
登録日2011-05-11
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
2H1Y
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BU of 2h1y by Molmil
Crystal structure of malonyl-CoA:Acyl carrier protein transacylase (MCAT) from Helicobacter pylori
分子名称: Malonyl coenzyme A-acyl carrier protein transacylase
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-05-17
公開日2007-05-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Malonyl-CoA: acyl carrier protein transacylase from Helicobacter pylori: Crystal structure and its interaction with acyl carrier protein
Protein Sci., 16, 2007
2GLM
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BU of 2glm by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with Compound 2
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID, BENZAMIDINE, ...
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
8TES
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BU of 8tes by Molmil
Human cytomegalovirus portal vertex, virion configuration 2 (VC2)
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ...
著者Jih, J, Liu, Y.T, Liu, W, Zhou, H.
登録日2023-07-06
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
8TEW
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BU of 8tew by Molmil
Human cytomegalovirus penton vertex, CVSC-bound configuration
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ...
著者Jih, J, Liu, Y.T, Liu, W, Zhou, H.
登録日2023-07-07
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
8TET
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BU of 8tet by Molmil
Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 1 (NC1)
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ...
著者Jih, J, Liu, Y.T, Liu, W, Zhou, H.
登録日2023-07-07
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (4.26 Å)
主引用文献The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
8TEP
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BU of 8tep by Molmil
Human cytomegalovirus portal vertex, virion configuration 1 (VC1)
分子名称: Capsid vertex component 1, Capsid vertex component 2, Inner tegument protein, ...
著者Jih, J, Liu, Y.T, Liu, W, Zhou, H.
登録日2023-07-06
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
8TEU
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BU of 8teu by Molmil
Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 2 - inverted (NC2-inv)
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ...
著者Jih, J, Liu, Y.T, Liu, W, Zhou, H.
登録日2023-07-07
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (4.01 Å)
主引用文献The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
2GLV
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BU of 2glv by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) mutant(Y100A) from Helicobacter pylori
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
2GLL
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BU of 2gll by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
2GLP
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BU of 2glp by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with compound 1
分子名称: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
著者Zhang, L, Liu, W, Shen, X, Jiang, H.
登録日2006-04-05
公開日2007-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
5Y1Z
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BU of 5y1z by Molmil
Crystal structure of ZMYND8 PHD-BROMO-PWWP tandem in complex with Drebrin ADF-H domain
分子名称: Drebrin, GLYCEROL, Protein kinase C-binding protein 1, ...
著者Yao, N, Li, J, Liu, H, Wan, J, Liu, W, Zhang, M.
登録日2017-07-22
公開日2017-10-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.676 Å)
主引用文献The Structure of the ZMYND8/Drebrin Complex Suggests a Cytoplasmic Sequestering Mechanism of ZMYND8 by Drebrin
Structure, 25, 2017
5ZZ9
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BU of 5zz9 by Molmil
Crystal structure of Homer2 EVH1/Drebrin PPXXF complex
分子名称: Homer protein homolog 2, Peptide from Drebrin
著者Li, Z, Liu, H, Li, J, Liu, W, Zhang, M.
登録日2018-05-31
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Homer Tetramer Promotes Actin Bundling Activity of Drebrin.
Structure, 27, 2019
5YPI
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BU of 5ypi by Molmil
Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI1 complex
分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Feng, H, Wang, D, Liu, W.
登録日2017-11-01
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
5YPK
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BU of 5ypk by Molmil
Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI2 complex
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ...
著者Feng, H, Wang, D, Liu, W.
登録日2017-11-02
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
5YPL
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BU of 5ypl by Molmil
Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EP complex
分子名称: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ...
著者Feng, H, Wang, D, Liu, W.
登録日2017-11-02
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
5YPN
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BU of 5ypn by Molmil
Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI2 complex
分子名称: (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ...
著者Feng, H, Liu, W, Wang, D.
登録日2017-11-02
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
5YPM
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BU of 5ypm by Molmil
Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI1 complex
分子名称: (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ...
著者Feng, H, Wang, D, Liu, W.
登録日2017-11-02
公開日2018-02-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
5HDN
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BU of 5hdn by Molmil
Crystal structure of heat shock factor1-DBD complex with ds-DNA and TtT
分子名称: CITRIC ACID, DNA (5'-D(*GP*GP*TP*TP*CP*TP*AP*GP*AP*AP*CP*C)-3'), Heat shock factor protein 1, ...
著者Feng, H, Liu, W, Wang, D.C.
登録日2016-01-05
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献HSF1-DBD crystal structure
To Be Published
5HDG
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BU of 5hdg by Molmil
crystal structure of heat shock factor 1-DBD
分子名称: Heat shock factor protein 1, SODIUM ION
著者Feng, H, Liu, W, Wang, D.C.
登録日2016-01-05
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HSF1-DBD crystal structure
To Be Published
5HDK
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BU of 5hdk by Molmil
Crystal structure of heat shock factor 2-DBD
分子名称: CHLORIDE ION, Heat shock factor protein 2, POTASSIUM ION, ...
著者Feng, H, Liu, W, Wang, D.C.
登録日2016-01-05
公開日2017-01-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献HSF1-DBD crystal structure
To Be Published

223532

件を2024-08-07に公開中

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