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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
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
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
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
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
5JHZ
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BU of 5jhz by Molmil
Crystal Structure of Fungal MagKatG2 at pH 7.0
分子名称: Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE
著者Gasselhuber, B, Obinger, C, Carpena, X.
登録日2016-04-21
公開日2016-06-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interaction with the Redox Cofactor MYW and Functional Role of a Mobile Arginine in Eukaryotic Catalase-Peroxidase.
Biochemistry, 55, 2016
2V90
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BU of 2v90 by Molmil
Crystal structure of the 3rd PDZ domain of intestine- and kidney- enriched PDZ domain IKEPP (PDZD3)
分子名称: PDZ DOMAIN-CONTAINING PROTEIN 3, SULFATE ION
著者Uppenberg, J, Gileadi, C, Phillips, C, Elkins, J, Bunkoczi, G, Cooper, C, Pike, A.C.W, Salah, E, Ugochukwu, E, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D.A.
登録日2007-08-16
公開日2007-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the 3Rd Pdz Domain of Intestine- and Kidney-Enriched Pdz Domain Ikepp (Pdzd3)
To be Published
4UUZ
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BU of 4uuz by Molmil
MCM2-histone complex
分子名称: DNA REPLICATION LICENSING FACTOR MCM2, HISTONE H3, HISTONE H4
著者Richet, N, Liu, D, Legrand, P, Bakail, M, Compper, C, Besle, A, Guerois, R, Ochsenbein, F.
登録日2014-08-01
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Insight Into How the Human Helicase Subunit Mcm2 May Act as a Histone Chaperone Together with Asf1 at the Replication Fork.
Nucleic Acids Res., 43, 2015
5CZB
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BU of 5czb by Molmil
HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
分子名称: 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Pierra, C, Dousson, C, Augustin, M.
登録日2015-07-31
公開日2016-06-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.
Bioorg.Med.Chem.Lett., 26, 2016
9J8G
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BU of 9j8g by Molmil
mouse zbp1 hybrid complex
分子名称: DNA (5'-D(P*CP*AP*CP*GP*CP*A)-3'), RNA (5'-R(P*UP*GP*CP*GP*UP*G)-3'), Z-DNA-binding protein 1
著者Gao, A.M, Zhoiu, C.
登録日2024-08-21
公開日2025-06-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ZBP1 senses spliceosome stress through Z-RNA:DNA hybrid recognition.
Mol.Cell, 85, 2025
9JLI
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BU of 9jli by Molmil
Structure of HHV6B glycoprotein B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B
著者Fang, X.Y, Xie, C, Sun, C, Zeng, M.S, Liu, Z.
登録日2024-09-19
公開日2025-06-25
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structure of HHV6B glycoprotein B
To Be Published
5JUI
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BU of 5jui by Molmil
domain-swapped dimer of the the KRT10-binding region (BR) of PsrP
分子名称: Cell wall surface anchor family protein, GLYCEROL, SODIUM ION
著者Schulte, T, Mikaelsson, C, Achour, A.
登録日2016-05-10
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The BR domain of PsrP interacts with extracellular DNA to promote bacterial aggregation; structural insights into pneumococcal biofilm formation.
Sci Rep, 6, 2016
3CL3
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BU of 3cl3 by Molmil
Crystal Structure of a vFLIP-IKKgamma complex: Insights into viral activation of the IKK signalosome
分子名称: NF-kappa-B essential modulator, ORF K13
著者Bagneris, C, Ageichik, A.V, Cronin, N, Boshoff, C, Waksman, G, Barrett, T.
登録日2008-03-18
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a vFlip-IKKgamma complex: insights into viral activation of the IKK signalosome.
Mol.Cell, 30, 2008
2VNA
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BU of 2vna by Molmil
Structure of Human Zinc-binding Alcohol Dehydrogenase 1 (ZADH1)
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN REDUCTASE 2
著者Shafqat, N, Kavanagh, K, Pike, A.C.W, Muniz, J.R.C, Pilka, E, Roos, A.K, Picaud, S, Johansson, C, Smee, C, Fedorov, O, Kochan, G, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, von Delft, F, Opperman, U.
登録日2008-02-01
公開日2009-02-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure of Human Zinc-Binding Alcohol Dehydrogenase 1 (Zadh1)
To be Published
4WGI
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BU of 4wgi by Molmil
A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
分子名称: (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ...
著者Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H.
登録日2014-09-18
公開日2014-11-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
6F6R
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BU of 6f6r by Molmil
Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide
分子名称: (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION
著者Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F.
登録日2017-12-06
公開日2018-05-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
5X72
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BU of 5x72 by Molmil
The crystal Structure PDE delta in complex with (rac)-p9
分子名称: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
2IX1
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BU of 2ix1 by Molmil
RNase II D209N mutant
分子名称: 5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP *AP*AP*A)-3', EXORIBONUCLEASE 2, MAGNESIUM ION
著者Frazao, C, McVey, C.E, Amblar, M, Barbas, A, Vonrhein, C, Arraiano, C.M, Carrondo, M.A.
登録日2006-07-05
公開日2006-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Unravelling the Dynamics of RNA Degradation by Ribonuclease II and its RNA-Bound Complex
Nature, 443, 2006
9LLD
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BU of 9lld by Molmil
Post-fusion ectodomain of KSHV gB in complex with 2C4 Fab
分子名称: 2C4 Fab H chain, 2C4 Fab L chain, Core gene UL27 family protein
著者Fang, X.Y, Sun, C, Xie, C, Zeng, M.S, Liu, Z.
登録日2025-01-17
公開日2025-03-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Post-fusion ectodomain of KSHV gB in complex with 2C4 Fab
To Be Published
3D21
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BU of 3d21 by Molmil
Crystal structure of a poplar wild-type thioredoxin h, PtTrxh4
分子名称: Thioredoxin H-type
著者Koh, C.S, Didierjean, C, Corbier, C, Rouhier, N, Jacquot, J.P, Gelhaye, E.
登録日2008-05-07
公開日2008-07-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Atypical Catalytic Mechanism Involving Three Cysteines of Thioredoxin.
J.Biol.Chem., 283, 2008
3DOB
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BU of 3dob by Molmil
Peptide-binding domain of Heat shock 70 kDa protein F44E5.5 from C.elegans.
分子名称: BETA-MERCAPTOETHANOL, Heat shock 70 kDa protein F44E5.5
著者Osipiuk, J, Hatzos, C, Gu, M, Zhang, R, Voisine, C, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-07-03
公開日2008-07-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献X-ray crystal structure of Peptide-binding domain of Heat shock 70 kDa protein F44E5.5 from C.elegans.
To be Published
4D49
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BU of 4d49 by Molmil
Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition.
分子名称: ARGININE, ARMADILLO REPEAT PROTEIN ARM00027, POLY ARG DECAPEPTIDE
著者Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A.
登録日2014-10-27
公開日2016-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition.
J.Mol.Biol., 428, 2016
4D4E
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BU of 4d4e by Molmil
Crystal structure of computationally designed armadillo repeat proteins for modular peptide recognition.
分子名称: ARMADILLO REPEAT PROTEIN ARM00016, GLYCEROL
著者Reichen, C, Forzani, C, Zhou, T, Parmeggiani, F, Fleishman, S.J, Mittl, P.R.E, Madhurantakam, C, Honegger, A, Ewald, C, Zerbe, O, Baker, D, Caflisch, A, Pluckthun, A.
登録日2014-10-28
公開日2016-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition.
J.Mol.Biol., 428, 2016

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