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7QL8
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SARS-COV2 Main Protease in complex with inhibitor MG78
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者El Kilani, H, Hilgenfeld, R.
登録日2021-12-19
公開日2022-04-27
最終更新日2024-09-18
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
8WY7
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BU of 8wy7 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22
分子名称: 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8WY3
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BU of 8wy3 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21
分子名称: Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8WYG
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BU of 8wyg by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22
分子名称: 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8WXY
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BU of 8wxy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23
分子名称: 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL
著者Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
登録日2023-10-30
公開日2024-01-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
8WCT
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BU of 8wct by Molmil
The crystal structure of the CHASE4 domain of iron-sensetive membrane protein (IsmP,Uniprot ID:Q9I243)
分子名称: Bifunctional diguanylate cyclase/phosphodiesterase, GLYCEROL
著者Wang, C.C.
登録日2023-09-13
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
5N0L
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BU of 5n0l by Molmil
The structure of the cofactor binding GAF domain of the nutrient sensor CodY from Clostridium difficile
分子名称: GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE
著者Levdikov, V.M, Blagova, E.V, Wilkinson, A.J, Sonenshein, A.L.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027.
Plos One, 14, 2019
8TX1
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BU of 8tx1 by Molmil
Characterization of the Chlamydomonas Flagellar Mastigoneme Filament Structure at 3.6A
分子名称: Mastigoneme-like protein
著者Yue, W, Kai, Z.
登録日2023-08-22
公開日2023-10-25
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Cryo-EM reveals how the mastigoneme assembles and responds to environmental signal changes.
J.Cell Biol., 222, 2023
8TXC
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Characterization of the Chlamydomonas Flagellar Mastigoneme Filament Subunit MST1 Structure at 3.9 angstrom
分子名称: Mastigoneme-like protein
著者Yue, W, Kai, Z.
登録日2023-08-23
公開日2023-10-25
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM reveals how the mastigoneme assembles and responds to environmental signal changes.
J.Cell Biol., 222, 2023
8TXB
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BU of 8txb by Molmil
Characterization of the Chlamydomonas Flagellar Mastigoneme Filament Structure at 3.9A
分子名称: Mastigoneme-like protein
著者Yue, W, Kai, Z.
登録日2023-08-23
公開日2023-10-25
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM reveals how the mastigoneme assembles and responds to environmental signal changes.
J.Cell Biol., 222, 2023
8K3C
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BU of 8k3c by Molmil
Nipah virus Attachment glycoprotein with 41-6 antibody fragment
分子名称: Glycoprotein G, Heavy chain of 41-6 Fab fragments, Light chain of 41-6 Fab fragment
著者Sun, M.M.
登録日2023-07-15
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Potent human neutralizing antibodies against Nipah virus derived from two ancestral antibody heavy chains.
Nat Commun, 15, 2024
7KDT
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BU of 7kdt by Molmil
Human Tom70 in complex with SARS CoV2 Orf9b
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者QCRG Structural Biology Consortium
登録日2020-10-09
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.
Science, 370, 2020
8FDT
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BU of 8fdt by Molmil
Engineered human dynein motor domain in the microtubule-unbound state with LIS1 complex in the buffer containing ATP-Vi
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase, ...
著者Ton, W, Wang, Y, Chai, P.
登録日2022-12-04
公開日2023-06-21
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport.
Nat.Struct.Mol.Biol., 30, 2023
8FDU
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BU of 8fdu by Molmil
Engineered human dynein motor domain in the microtubule-unbound state with LIS1 complex in the buffer containing ATP-Vi (local refined on AAA3-AAA5 and LIS1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase, Platelet-activating factor acetylhydrolase IB subunit beta,Platelet-activating factor acetylhydrolase IB subunit beta,human LIS1 protein with a SNAP tag
著者Ton, W, Wang, Y, Chai, P.
登録日2022-12-04
公開日2023-06-21
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport.
Nat.Struct.Mol.Biol., 30, 2023
8FCY
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BU of 8fcy by Molmil
Engineered human dynein motor domain in microtubule-bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase
著者Ton, W, Wang, Y, Chai, P.
登録日2022-12-01
公開日2023-06-21
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport.
Nat.Struct.Mol.Biol., 30, 2023
8FD6
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BU of 8fd6 by Molmil
Engineered human dynein motor domain in the microtubule-unbound state in the buffer containing ATP-Vi
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1,Serine--tRNA ligase, ...
著者Ton, W, Wang, Y, Chai, P.
登録日2022-12-02
公開日2023-06-21
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Microtubule-binding-induced allostery triggers LIS1 dissociation from dynein prior to cargo transport.
Nat.Struct.Mol.Biol., 30, 2023
6NIL
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BU of 6nil by Molmil
cryoEM structure of the truncated HIV-1 Vif/CBFbeta/A3F complex
分子名称: Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3F, Virion infectivity factor, ...
著者Hu, Y, Xiong, Y.
登録日2018-12-29
公開日2019-12-11
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of antagonism of human APOBEC3F by HIV-1 Vif.
Nat.Struct.Mol.Biol., 26, 2019
5X9C
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BU of 5x9c by Molmil
Crystal structure of the cytosolic domain of human MiD51
分子名称: Mitochondrial dynamics protein MID51
著者Sun, F, Pang, X, Ma, J.
登録日2017-03-06
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献New interfaces on MiD51 for Drp1 recruitment and mitochondrial fission regulation
To Be Published
8X5X
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BU of 8x5x by Molmil
CryoEM structure of the histamine H1 receptor in apo-form
分子名称: Histamine H1 receptor,Soluble cytochrome b562
著者Wang, D.D, Guo, Q, Tao, Y.Y.
登録日2023-11-20
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular mechanism of antihistamines recognition and regulation of the histamine H 1 receptor.
Nat Commun, 15, 2024
8X63
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CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with mepyramine
分子名称: Histamine H1 receptor,Soluble cytochrome b562, mepyramine
著者Wang, D.D, Guo, Q.
登録日2023-11-20
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular mechanism of antihistamines recognition and regulation of the histamine H 1 receptor.
Nat Commun, 15, 2024
5X9B
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Crystal structure of the cytosolic domain of human MiD51
分子名称: Mitochondrial dynamics protein MID51
著者Sun, F, Pang, X, Ma, J.
登録日2017-03-06
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献New interfaces on MiD51 for Drp1 recruitment and regulation.
Plos One, 14, 2019
8X64
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CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with desloratadine
分子名称: Histamine H1 receptor,Soluble cytochrome b562, desloratadine
著者Wang, D.D, Guo, Q.
登録日2023-11-20
公開日2024-01-17
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular mechanism of antihistamines recognition and regulation of the histamine H 1 receptor.
Nat Commun, 15, 2024
8X5Y
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BU of 8x5y by Molmil
CryoEM structure of the histamine H1 receptor-BRIL/Anti BRIL Fab complex with astemizole
分子名称: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Histamine H1 receptor,Soluble cytochrome b562
著者Wang, D.D, Guo, Q, Tao, Y.Y.
登録日2023-11-20
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular mechanism of antihistamines recognition and regulation of the histamine H 1 receptor.
Nat Commun, 15, 2024
8ENK
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BU of 8enk by Molmil
Crystal structure of UAP56 in complex with Tho1, the yeast homolog of human SARNP
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Xie, Y, Ren, Y.
登録日2022-09-30
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for high-order complex of SARNP and DDX39B to facilitate mRNP assembly.
Cell Rep, 42, 2023
3B6C
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BU of 3b6c by Molmil
Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with (S)-DNPA
分子名称: ActII protein, [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
著者Willems, A.R, Junop, M.S.
登録日2007-10-28
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008

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