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7A0T
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BU of 7a0t by Molmil
Crystal structure of kievitone hydratase from Nectria haematococca (P21 SG)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CrtC domain-containing protein, IMIDAZOLE, ...
著者Pavkov-Keller, T, Gruber, K.
登録日2020-08-10
公開日2021-08-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca
to be published
1JOI
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BU of 1joi by Molmil
STRUCTURE OF PSEUDOMONAS FLUORESCENS HOLO AZURIN
分子名称: AZURIN, COPPER (II) ION
著者Lee, X, Ton-that, H, Zhu, D.-W, Biesterfedlt, J, Lanthier, P.H, Yachuchi, M, Dahms, T, Szabo, A.G.
登録日1997-06-09
公開日1997-12-10
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallization and preliminary crystallographic studies of the crystals of the azurin Pseudomonas fluorescens.
Arch.Biochem.Biophys., 308, 1994
5MFP
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BU of 5mfp by Molmil
Human Sirt6 in complex with activator UBCS58
分子名称: 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ...
著者Steegborn, C, You, W, Kambach, C.
登録日2016-11-18
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MF6
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BU of 5mf6 by Molmil
Human Sirt6 in complex with activator UBCS039
分子名称: (4~{R})-4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ...
著者Steegborn, C, You, W, Kambach, C.
登録日2016-11-17
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MGN
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BU of 5mgn by Molmil
Human Sirt6 in complex with activator UBCS38
分子名称: (4~{R})-4-pyridin-3-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-4~{H}-pyrrolo[1,2-a]quinoxaline, 1,2-ETHANEDIOL, NAD-dependent protein deacetylase sirtuin-6, ...
著者Steegborn, C, You, W, Kambach, C.
登録日2016-11-21
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
8G1Z
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BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
分子名称: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.87 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
8G20
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BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
分子名称: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
著者Tararina, M.A, Christianson, D.W.
登録日2023-02-03
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.766 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
5MFZ
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BU of 5mfz by Molmil
Human Sirt6 in complex with small molecule UBCS40
分子名称: 1,2-ETHANEDIOL, 1-pyrrolo[1,2-a]quinoxalin-4-ylnaphthalen-2-ol, NAD-dependent protein deacetylase sirtuin-6, ...
著者Steegborn, C, You, W, Kambach, C.
登録日2016-11-19
公開日2016-12-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules.
Angew. Chem. Int. Ed. Engl., 56, 2017
4UTR
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BU of 4utr by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with glutarylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLUTARIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-22
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UU7
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BU of 4uu7 by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-methyl- succinylated CPS1-peptide
分子名称: (2R)-2-methylbutanedioic acid, (2S)-2-methylbutanedioic acid, 1,2-ETHANEDIOL, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-24
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UU8
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BU of 4uu8 by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3,3-dimethyl- succinylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 2,2-dimethylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-24
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTV
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BU of 4utv by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-phenyl- succinylated CPS1-peptide
分子名称: (2R)-2-phenylbutanedioic acid, (2S)-2-phenylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-23
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UUB
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BU of 4uub by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 2R-butyl- succinylated CPS1-peptide
分子名称: (2R)-2-butylbutanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-25
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTX
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BU of 4utx by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-23
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UTZ
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BU of 4utz by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with adipoylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-24
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UUA
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BU of 4uua by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3S-Z-amino- succinylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-25
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
8TXY
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BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
分子名称: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
著者Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
登録日2023-08-24
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
6XU3
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BU of 6xu3 by Molmil
(R)-selective amine transaminase from Shinella sp.
分子名称: 3-AMINOBENZOIC ACID, CHLORIDE ION, Class IV aminotransferase, ...
著者Telzerow, A, Hakansson, M, Steiner, K.
登録日2020-01-17
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members.
Chembiochem, 22, 2021
7NHT
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BU of 7nht by Molmil
Akirin2 bound human proteasome
分子名称: Akirin-2, POTASSIUM ION, Proteasome subunit alpha type-1, ...
著者Singh, K, Brunner, H, Grishkovskaya, I, de Almeida, M, Hinterndorfer, M, Zuber, J, Haselbach, D.
登録日2021-02-11
公開日2021-09-01
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献AKIRIN2 controls the nuclear import of proteasomes in vertebrates.
Nature, 599, 2021
2MPW
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BU of 2mpw by Molmil
Solution structure of the LysM region of the E. coli Intimin periplasmic domain
分子名称: Intimin
著者Coles, M, Chaubey, M, Leo, J.C, Linke, D, Schuetz, M.C, Goetz, F, Autenrieth, I.B.
登録日2014-06-05
公開日2014-11-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Intimin periplasmic domain mediates dimerisation and binding to peptidoglycan.
Mol.Microbiol., 95, 2015
6SRU
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BU of 6sru by Molmil
Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1)
分子名称: Programmed cell death 1 ligand 1
著者Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A.
登録日2019-09-06
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.532 Å)
主引用文献Human and mouse PD-L1: similar molecular structure, but different druggability profiles.
Iscience, 24, 2021
6DCE
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BU of 6dce by Molmil
X-ray structure of FIP200 claw domain
分子名称: RB1-inducible coiled-coil protein 1, SULFATE ION
著者Su, M.-Y, Hurley, J.H.
登録日2018-05-05
公開日2019-03-06
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献FIP200 Claw Domain Binding to p62 Promotes Autophagosome Formation at Ubiquitin Condensates.
Mol. Cell, 74, 2019
5LX1
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BU of 5lx1 by Molmil
Cys-Gly dipeptidase GliJ mutant D304A
分子名称: Dipeptidase, FE (III) ION, GLYCEROL
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 (2.7 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LX7
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BU of 5lx7 by Molmil
Cys-Gly dipeptidase GliJ mutant D38N
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dipeptidase, FE (III) ION, ...
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 (1.95 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LWZ
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BU of 5lwz by Molmil
Cys-Gly dipeptidase GliJ (space group C2)
分子名称: Dipeptidase, FE (III) ION, GLYCEROL
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 (2.1 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017

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