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8G0O
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BU of 8g0o by Molmil
Crystal structure of Y281F mutant of Hyaluronate lyase B from Cutibacterium acnes
分子名称: Hyaluronate lyase
著者Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R.
登録日2023-02-01
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
8GO9
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BU of 8go9 by Molmil
Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Atypical chemokine receptor 2, ACKR2 (D6R)
分子名称: Atypical chemokine receptor 2, Beta-arrestin-2, Fab30 Heavy Chain, ...
著者Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
登録日2022-08-24
公開日2023-12-27
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
6FIL
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BU of 6fil by Molmil
DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.730A, P212121, Rfree=24.5%
分子名称: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FEX
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BU of 6fex by Molmil
DDR1, 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,3-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.291A, P212121, Rfree=17.4%
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, CHLORIDE ION, ...
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-03
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.291 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIN
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BU of 6fin by Molmil
DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 1.670A, P1211, Rfree=22.8%
分子名称: 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, Epithelial discoidin domain-containing receptor 1, IODIDE ION
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIQ
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BU of 6fiq by Molmil
DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, 1.790A, P212121, Rfree=23.8%
分子名称: 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one, CHLORIDE ION, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FEW
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BU of 6few by Molmil
DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide, 1.440A, P1211, Rfree=24.1%
分子名称: 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-03
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
6FIO
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DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-oxospiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide, 1.990A, P6522, Rfree=27.7%
分子名称: 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Epithelial discoidin domain-containing receptor 1
著者Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G.
登録日2018-01-19
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
8FR6
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BU of 8fr6 by Molmil
Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Wang, S, Kwong, P.D.
登録日2023-01-06
公開日2023-04-19
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
6GCJ
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BU of 6gcj by Molmil
Solution structure of the RodA hydrophobin from Aspergillus fumigatus
分子名称: Hydrophobin
著者Pille, A, Kwan, A, Aimanianda, V, Latge, J.-P, Sunde, M, Guijarro, J.I.
登録日2018-04-18
公開日2019-03-27
最終更新日2019-09-04
実験手法SOLUTION NMR
主引用文献Assembly and disassembly of Aspergillus fumigatus conidial rodlets
Cell Surf, 2019
8GAS
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BU of 8gas by Molmil
vFP48.02 Fab in complex with BG505 DS-SOSIP Env trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-23
公開日2023-04-19
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8G85
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BU of 8g85 by Molmil
vFP52.02 Fab in complex with BG505 DS-SOSIP Env trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2023-02-17
公開日2023-04-19
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.99 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
8J97
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BU of 8j97 by Molmil
Structure of Muscarinic receptor (M2R) in complex with beta-arrestin1 (Local refine, cross-linked)
分子名称: Beta-arrestin-1, Fab30 Heavy Chain, Fab30 Light Chain, ...
著者Maharana, J, Sano, F.K, Shihoya, W, Banerjee, R, Nureki, O, Shukla, A.K.
登録日2023-05-02
公開日2023-12-27
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
8JAF
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BU of 8jaf by Molmil
Structure of Muscarinic receptor (M2R) in complex with beta-arrestin1 (Local Refine, non-cross linked)
分子名称: Beta-arrestin-1, Fab30 heavy chain, Fab30 light chain, ...
著者Maharana, J, Sano, F.K, Shihoya, W, Banerjee, R, Nureki, O, Shukla, A.K.
登録日2023-05-05
公開日2023-12-27
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
8J8R
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BU of 8j8r by Molmil
Structure of beta-arrestin2 in complex with M2Rpp
分子名称: Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ...
著者Maharana, J, Sano, F.K, Shihoya, W, Banerjee, R, Nureki, O, Shukla, A.K.
登録日2023-05-02
公開日2023-12-27
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors.
Science, 383, 2024
8B7D
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BU of 8b7d by Molmil
Luminal domain of TMEM106B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
著者Pye, V.E, Roustan, C, Cherepanov, P.
登録日2022-09-29
公開日2023-07-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献TMEM106B is a receptor mediating ACE2-independent SARS-CoV-2 cell entry.
Cell, 186, 2023
6WPE
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BU of 6wpe by Molmil
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
分子名称: 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A.
登録日2020-04-27
公開日2021-03-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
6M89
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BU of 6m89 by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8D
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BU of 6m8d by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with diosmetin
分子名称: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8C
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BU of 6m8c by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with isorhamnetin
分子名称: Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, isorhamnetin
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8A
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BU of 6m8a by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with luteolin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
6M8E
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BU of 6m8e by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with rhamnetin
分子名称: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
4R8W
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BU of 4r8w by Molmil
Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a neutralizing antibody CT149
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of neutralizing antibody CT149, Hemagglutinin, ...
著者Wu, Y, Shi, Y, Qi, J, Gao, G.F.
登録日2014-09-03
公開日2015-08-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.795 Å)
主引用文献A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus
Nat Commun, 6, 2015
8E1O
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BU of 8e1o by Molmil
Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide, Transcriptional enhancer factor TEF-4
著者Noland, C.L, Dey, A, Zbieg, J, Crawford, J.
登録日2022-08-10
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeting the Hippo pathway in cancers via ubiquitination dependent TEAD degradation
Biorxiv, 2024
6M8B
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BU of 6m8b by Molmil
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with kaempferol
分子名称: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase
著者Wang, H, Shears, S.B.
登録日2018-08-21
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019

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