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9DOP
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BU of 9dop by Molmil
Inhibiting peptidylarginine deiminases (PAD1-4) by targeting a Ca2+ dependent allosteric binding site
分子名称: (2R)-2-amino-2-{1-[(5M)-5-(3,5-dichloropyridin-2-yl)isoquinolin-1-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one, CALCIUM ION, Protein-arginine deiminase type-4
著者Liu, S.
登録日2024-09-19
公開日2025-05-28
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Inhibiting peptidylarginine deiminases (PAD1-4) by targeting a Ca 2+ dependent allosteric binding site.
Nat Commun, 16, 2025
8X77
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BU of 8x77 by Molmil
Enterovirus proteinase with host factor
分子名称: 2A protein, Actin-histidine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Gao, X, Cui, S.
登録日2023-11-23
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction.
Nat Commun, 15, 2024
8IL0
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BU of 8il0 by Molmil
Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355
分子名称: Glycosyltransferase
著者Dai, Y, Li, P, Qiao, H, Xia, M, Liu, W, Fang, P.
登録日2023-03-01
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
8ILA
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BU of 8ila by Molmil
Crystal structure of LmbT from Streptomyces lincolnensis NRRL ISP-5355 in complex with substrates
分子名称: (2~{S})-3-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-1~{H}-imidazol-5-yl]-2-(trimethyl-$l^{4}-azanyl)propanoic acid, GUANOSINE-5'-DIPHOSPHATE, Glycosyltransferase
著者Dai, Y, Qiao, H, Xia, M, Fang, P, Liu, W.
登録日2023-03-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural Basis of Low-Molecular-Weight Thiol Glycosylation in Lincomycin A Biosynthesis.
Acs Chem.Biol., 18, 2023
4M13
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BU of 4m13 by Molmil
Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Z
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BU of 4m0z by Molmil
Crystal structure of ITK in complex with compound 5 {4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide}
分子名称: 4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M12
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BU of 4m12 by Molmil
Crystal structure of ITK in complex with compound 7 [4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M14
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BU of 4m14 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M15
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BU of 4m15 by Molmil
Crystal structure of ITK in complex with compound 9 [4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide] and ADP
分子名称: 4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
4M0Y
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BU of 4m0y by Molmil
Crystal structure of ITK in complex with compound 1 [4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide]
分子名称: 4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
著者Han, S, Caspers, N.L.
登録日2013-08-02
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
Biochem.J., 460, 2014
8J64
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BU of 8j64 by Molmil
Crystal structure of Toxoplasma gondii MIC2-M2AP complex
分子名称: MIC2-associated protein, Micronemal protein MIC2
著者Zhang, S, Wang, F.F, Zhang, D.J, Song, G.J, Springer, T.A.
登録日2023-04-24
公開日2023-08-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into MIC2 recognition by MIC2-associated protein in Toxoplasma gondii.
Commun Biol, 6, 2023
8J67
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BU of 8j67 by Molmil
Crystal structure of Toxoplasma gondii M2AP
分子名称: MIC2-associated protein
著者Wang, F.F, Zhang, D.J, Zhang, S, Springer, T.A, Song, G.J.
登録日2023-04-24
公開日2023-08-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural insights into MIC2 recognition by MIC2-associated protein in Toxoplasma gondii.
Commun Biol, 6, 2023
9IV2
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BU of 9iv2 by Molmil
Identification, structure and agonist design of an androgen membrane receptor.
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Adhesion G-protein coupled receptor D1, Gs protein alpha subunit, ...
著者Ping, Y.Q, Yang, Z.
登録日2024-07-22
公開日2025-02-12
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Identification, structure, and agonist design of an androgen membrane receptor.
Cell, 188, 2025
9IV1
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BU of 9iv1 by Molmil
Identification, structure and agonist design of an androgen membrane receptor.
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Adhesion G-protein coupled receptor D1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Ping, Y.Q, Yang, Z.
登録日2024-07-22
公開日2025-02-12
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Identification, structure, and agonist design of an androgen membrane receptor.
Cell, 188, 2025
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
分子名称: Endolysin, FE (III) ION, MAGNESIUM ION, ...
著者Gu, J, Ouyang, S, Liu, Z.J, Han, W.
登録日2014-01-24
公開日2014-06-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4OLK
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BU of 4olk by Molmil
The CHAP domain of LysGH15
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin
著者Gu, J, Ouyang, S, Liu, Z.J, Han, W.
登録日2014-01-24
公開日2014-05-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
4FC6
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BU of 4fc6 by Molmil
Studies on DCR shed new light on peroxisomal beta-oxidation: Crystal structure of the ternary complex of pDCR
分子名称: HEXANOYL-COENZYME A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Peroxisomal 2,4-dienoyl-CoA reductase
著者Hua, T, Wu, D, Wang, J, Shaw, N, Liu, Z.-J.
登録日2012-05-24
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Studies of human 2,4-dienoyl CoA reductase shed new light on peroxisomal beta-oxidation of unsaturated fatty acids
J.Biol.Chem., 287, 2012
4FC7
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BU of 4fc7 by Molmil
Studies on DCR shed new light on peroxisomal beta-oxidation: Crystal structure of the ternary complex of pDCR
分子名称: COENZYME A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Peroxisomal 2,4-dienoyl-CoA reductase
著者Hua, T, Wu, D, Wang, J, Shaw, N, Liu, Z.-J.
登録日2012-05-24
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Studies of human 2,4-dienoyl CoA reductase shed new light on peroxisomal beta-oxidation of unsaturated fatty acids
J.Biol.Chem., 287, 2012
8X9S
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BU of 8x9s by Molmil
Identification, structure and agonist design of an androgen membrane receptor.
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Adhesion G-protein coupled receptor D1, Gs protein alpha subunit, ...
著者Ping, Y.Q, Yang, Z.
登録日2023-12-01
公開日2025-02-12
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Identification, structure, and agonist design of an androgen membrane receptor.
Cell, 188, 2025
8X9T
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BU of 8x9t by Molmil
Identification, structure and agonist design of an androgen membrane receptor
分子名称: Adhesion G-protein coupled receptor D1, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Ping, Y.Q, Yang, Z.
登録日2023-12-01
公開日2025-02-12
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Identification, structure, and agonist design of an androgen membrane receptor.
Cell, 188, 2025
8X9U
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BU of 8x9u by Molmil
Identification, structure and agonist design of an androgen membrane receptor
分子名称: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, Adhesion G-protein coupled receptor D1, Gs protein alpha subunit, ...
著者Ping, Y.Q, Yang, Z.
登録日2023-12-01
公開日2025-02-12
最終更新日2025-04-09
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Identification, structure, and agonist design of an androgen membrane receptor.
Cell, 188, 2025
6IHB
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BU of 6ihb by Molmil
Adeno-Associated Virus 2 in complex with AAVR
分子名称: Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein
著者Lou, Z.Y, Zhang, R.
登録日2018-09-29
公開日2019-03-20
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
6IH9
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Adeno-Associated Virus 2 at 2.8 ang
分子名称: Capsid protein VP1
著者Lou, Z.Y, Zhang, R.
登録日2018-09-29
公開日2019-07-03
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Adeno-associated virus 2 bound to its cellular receptor AAVR.
Nat Microbiol, 4, 2019
5VIO
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BU of 5vio by Molmil
Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13)
分子名称: 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Jasti, J, Chang, J, Kurumbail, R.
登録日2017-04-17
公開日2018-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017
5VIL
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BU of 5vil by Molmil
Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6)
分子名称: 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5
著者Jasti, J, Chang, J, Kurumbail, R.
登録日2017-04-17
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.
Eur J Med Chem, 145, 2017

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件を2025-07-09に公開中

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