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6ZRW
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BU of 6zrw by Molmil
Crystal structure of the fungal lectin CML1
分子名称: ACETATE ION, GLYCEROL, Mucin-binding lectin 1, ...
著者Bleuler-Martinez, S, Olieric, V, Sharpe, M, Capitani, G, Aebi, M, Kuenzler, M.
登録日2020-07-15
公開日2021-07-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity.
Glycobiology, 32, 2022
5LX0
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BU of 5lx0 by Molmil
Cys-Gly dipeptidase GliJ (space group P3221)
分子名称: Dipeptidase, FE (III) ION
著者Huber, E.M, Groll, M.
登録日2016-09-19
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LX4
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BU of 5lx4 by Molmil
Cys-Gly dipeptidase GliJ mutant D38H
分子名称: Dipeptidase, FE (III) ION, GLYCEROL
著者Huber, E.M, Groll, M.
登録日2016-09-20
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
8POI
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BU of 8poi by Molmil
Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
分子名称: 4-pyridin-2-yl-1,3-thiazol-2-amine, Survival of motor neuron-related-splicing factor 30
著者Borggraefe, J, Gaussmann, S, Sattler, M.
登録日2023-07-04
公開日2023-08-23
最終更新日2023-08-30
実験手法SOLUTION NMR
主引用文献Pharmacological perturbation of the phase-separating protein SMNDC1.
Nat Commun, 14, 2023
5LBT
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BU of 5lbt by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with imiquimod
分子名称: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Gross, O.
登録日2016-06-17
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
5LBU
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BU of 5lbu by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with to CL097
分子名称: 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Gross, O.
登録日2016-06-17
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
8OWZ
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BU of 8owz by Molmil
Crystal structure of human Sirt2 in complex with a triazole-based SirReal
分子名称: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ...
著者Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M.
登録日2023-04-28
公開日2023-11-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
6FLG
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BU of 6flg by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3(S)-(naphthylthio)succinyl-CPS1 peptide
分子名称: 1,2-ETHANEDIOL, 3(S)-(naphthylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
5MGQ
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BU of 5mgq by Molmil
Solution structure of oxidized and amidated human IAPP (1-37), the diabetes II peptide.
分子名称: Islet amyloid polypeptide
著者Rodriguez Camargo, D.C, Tripsianes, K, Reif, B.
登録日2016-11-21
公開日2017-03-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The redox environment triggers conformational changes and aggregation of hIAPP in Type II Diabetes.
Sci Rep, 7, 2017
6FKZ
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BU of 6fkz by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(phenylthio)succinyl-CPS1 peptide
分子名称: 3(R)-(phenylthio)succinyl-CPS1 peptide, 3(S)-(phenylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6FKY
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BU of 6fky by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(benzylthio)succinyl-CPS1 peptide
分子名称: (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid, (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid, 1,2-ETHANEDIOL, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6YAU
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BU of 6yau by Molmil
CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A.
分子名称: 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION
著者Schreuder, H.A, Liesum, A.
登録日2020-03-13
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6YG9
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BU of 6yg9 by Molmil
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07.
分子名称: 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin
著者Schreuder, H.A, Liesum, A.
登録日2020-03-27
公開日2021-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6ZU2
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BU of 6zu2 by Molmil
CML1 crystal structure in complex with H-type 1 trisaccharide
分子名称: Mucin-binding lectin 1, SULFATE ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Varrot, A, Bleuler-Martinez, S.
登録日2020-07-21
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity.
Glycobiology, 32, 2022
6ZV5
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BU of 6zv5 by Molmil
CML1 crystal structure in complex with Lewis a tetrasaccharide
分子名称: Mucin-binding lectin 1, SULFATE ION, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Varrot, A, Bleuler-Martinez, S.
登録日2020-07-24
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity.
Glycobiology, 32, 2022
4WSJ
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BU of 4wsj by Molmil
Crystal structure of a bacterial fucodiase in complex with 1-((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)ethan-1-one
分子名称: Alpha-L-fucosidase, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide, SULFATE ION
著者Davies, G.J, Wright, D.W.
登録日2014-10-28
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
4WSK
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BU of 4wsk by Molmil
Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone
分子名称: Alpha-L-fucosidase, IMIDAZOLE, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ...
著者Davies, G.J.
登録日2014-10-28
公開日2014-11-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
6GMA
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BU of 6gma by Molmil
Crystal structure of the FIP200 C-terminal region
分子名称: RB1-inducible coiled-coil protein 1
著者Witt, M, Bock, T, Daumke, O.
登録日2018-05-24
公開日2019-03-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献FIP200 Claw Domain Binding to p62 Promotes Autophagosome Formation at Ubiquitin Condensates.
Mol.Cell, 74, 2019
2ACE
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BU of 2ace by Molmil
NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA
分子名称: ACETYLCHOLINE, ACETYLCHOLINESTERASE
著者Harel, M, Raves, M.L, Silman, I, Sussman, J.L.
登録日1996-06-23
公開日1996-11-08
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
1EA5
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NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA at 1.8A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者Harel, M, Weik, M, Silman, I, Sussman, J.L.
登録日2000-11-06
公開日2000-11-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-Ray Structures of Torpedo Californica Acetylcholinesterase Complexed with (+)-Huperzine a and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement
Biochemistry, 41, 2002
5HT6
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BU of 5ht6 by Molmil
Crystal structure of the SET domain of the human MLL5 methyltransferase
分子名称: Histone-lysine N-methyltransferase 2E
著者le Maire, A, Mas-y-Mas, S, Dumas, C, Lebedev, A.
登録日2016-01-26
公開日2016-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献The Human Mixed Lineage Leukemia 5 (MLL5), a Sequentially and Structurally Divergent SET Domain-Containing Protein with No Intrinsic Catalytic Activity.
Plos One, 11, 2016
6YUQ
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BU of 6yuq by Molmil
Capsule O-acetyltransferase of Neisseria meningitidis serogroup A in complex with polysaccharide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ...
著者Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M.
登録日2020-04-27
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A.
Nat Commun, 11, 2020
6YUV
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BU of 6yuv by Molmil
Capsule O-acetyltransferase of Neisseria meningitidis serogroup A
分子名称: CHLORIDE ION, SacC, TRIETHYLENE GLYCOL
著者Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M.
登録日2020-04-27
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A.
Nat Commun, 11, 2020
6YUS
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BU of 6yus by Molmil
Capsule O-acetyltransferase of Neisseria meningitidis serogroup A H228A mutant in complex with CoA
分子名称: 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
著者Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M.
登録日2020-04-27
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A.
Nat Commun, 11, 2020
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2024-01-17
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

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