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5LUA
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BU of 5lua by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11b
分子名称: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
4RB2
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BU of 4rb2 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Fur-Mn2+-feoAB1 operator
分子名称: DNA (25-MER), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RB0
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BU of 4rb0 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Apo-Fur
分子名称: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
9IJ0
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BU of 9ij0 by Molmil
Cryo-EM Structure of MILI-piRNA-target (8-nt)
分子名称: MAGNESIUM ION, Piwi-like protein 2, RNA (26-MER), ...
著者Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z.
登録日2024-06-21
公開日2024-11-13
最終更新日2025-07-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into RNA cleavage by PIWI Argonaute.
Nature, 639, 2025
9IIY
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BU of 9iiy by Molmil
Cryo-EM Structure of EfPiwi-piRNA-target (25-nt, bilobed)
分子名称: Piwi, RNA (5'-R(P*CP*GP*UP*CP*UP*AP*UP*AP*CP*AP*AP*CP*CP*GP*AP*UP*CP*AP*GP*CP*U)-3'), RNA (5'-R(P*UP*AP*GP*CP*AP*GP*AP*UP*CP*GP*GP*UP*UP*GP*UP*AP*UP*AP*GP*AP*CP*G)-3')
著者Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z.
登録日2024-06-21
公開日2024-11-13
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into RNA cleavage by PIWI Argonaute.
Nature, 639, 2025
9IIZ
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BU of 9iiz by Molmil
Cryo-EM Structure of EfPiwi-piRNA-target (25-nt, comma)
分子名称: Piwi, RNA (25-MER), RNA (5'-R(P*AP*GP*CP*CP*AP*AP*GP*UP*UP*UP*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*A)-3')
著者Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z.
登録日2024-06-21
公開日2024-11-13
最終更新日2025-07-16
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into RNA cleavage by PIWI Argonaute.
Nature, 639, 2025
9IJ1
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BU of 9ij1 by Molmil
Cryo-EM Structure of MILI-piRNA-target (22-nt, bilobed)
分子名称: MAGNESIUM ION, Piwi-like protein 2, RNA (26-MER), ...
著者Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z.
登録日2024-06-21
公開日2024-11-13
最終更新日2025-07-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into RNA cleavage by PIWI Argonaute.
Nature, 639, 2025
9IJ3
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BU of 9ij3 by Molmil
Cryo-EM Structure of MILI-piRNA-target (26-nt)
分子名称: MANGANESE (II) ION, Piwi-like protein 2, RNA (25-MER), ...
著者Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z.
登録日2024-06-21
公開日2024-11-13
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural insights into RNA cleavage by PIWI Argonaute.
Nature, 639, 2025
9IJ2
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BU of 9ij2 by Molmil
Cryo-EM Structure of MILI-piRNA-target (22-nt, comma)
分子名称: Piwi-like protein 2, RNA (5'-R(P*CP*AP*AP*GP*UP*UP*UP*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*A)-3'), RNA (5'-R(P*UP*UP*AP*CP*CP*AP*UP*CP*AP*AP*CP*AP*UP*GP*GP*AP*AP*AP*CP*UP*UP*G)-3')
著者Li, Z.Q, Xu, Q.K, Wu, J.P, Shen, E.Z.
登録日2024-06-21
公開日2024-11-13
最終更新日2025-07-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural insights into RNA cleavage by PIWI Argonaute.
Nature, 639, 2025
5LU8
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BU of 5lu8 by Molmil
CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B
分子名称: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
著者Dall, E, Ye, K, Brandstetter, H.
登録日2016-09-08
公開日2017-03-29
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
4RB3
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BU of 4rb3 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-feoAB1 operator
分子名称: DNA (25-MER), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION, ...
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4O3F
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BU of 4o3f by Molmil
Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
著者Li, X.L, Finci, I.L, Wang, J.H.
登録日2013-12-18
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
2NAE
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BU of 2nae by Molmil
Membrane-bound mouse CD28 cytoplasmic tail
分子名称: T-cell-specific surface glycoprotein CD28
著者Li, H, Xu, C, Pan, W.
登録日2015-12-23
公開日2016-12-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dynamic regulation of CD28 conformation and signaling by charged lipids and ions.
Nat.Struct.Mol.Biol., 24, 2017
6IR5
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BU of 6ir5 by Molmil
P domain of GII.3-TV24
分子名称: VP1 Capsid protein
著者Yang, Y.
登録日2018-11-10
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
6IS5
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BU of 6is5 by Molmil
P domain of GII.3-TV24 with A-tetrasaccharide complex
分子名称: VP1 Capsid protein, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Yang, Y.
登録日2018-11-15
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural basis of host ligand specificity change of GII porcine noroviruses from their closely related GII human noroviruses.
Emerg Microbes Infect, 8, 2019
7YW2
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BU of 7yw2 by Molmil
Crystal structure of tRNA 2'-phosphotransferase from Mus musculus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ...
著者Yang, X.Y, Liu, X.H.
登録日2022-08-21
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
7YW3
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BU of 7yw3 by Molmil
Crystal structure of tRNA 2'-phosphotransferase from Homo sapiens
分子名称: 1,2-ETHANEDIOL, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, tRNA 2'-phosphotransferase 1
著者Yang, X.Y, Liu, X.H.
登録日2022-08-21
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
7YW4
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BU of 7yw4 by Molmil
Crystal structure of tRNA 2'-phosphotransferase from Saccharomyces cerevisiae
分子名称: D(-)-TARTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, tRNA 2'-phosphotransferase
著者Yang, X.Y, Liu, X.H.
登録日2022-08-21
公開日2023-07-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation.
Nucleic Acids Res., 51, 2023
7OKB
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BU of 7okb by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 45
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, SULFATE ION, ...
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJY
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BU of 7ojy by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 6
分子名称: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OKC
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BU of 7okc by Molmil
Crystal structure of Escherichia coli LpxA in complex with compound 1
分子名称: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, SODIUM ION
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJP
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BU of 7ojp by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
分子名称: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, MAGNESIUM ION
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OK1
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BU of 7ok1 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3
分子名称: Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJ6
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BU of 7oj6 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
分子名称: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ...
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-14
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OKA
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BU of 7oka by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14
分子名称: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ...
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021

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