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8R8O
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BU of 8r8o by Molmil
Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Beck, J, Shanmugaratnam, S, Hocker, B.
登録日2023-11-29
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
8R8N
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BU of 8r8n by Molmil
Hallucinated de novo TIM barrel with two helical extensions - HalluTIM2-2
分子名称: HalluTIM2-2, SULFATE ION
著者Beck, J, Shanmugaratnam, S, Hocker, B.
登録日2023-11-29
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
1W9Q
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BU of 1w9q by Molmil
Crystal structure of the PDZ tandem of human syntenin in complex with TNEFAF peptide
分子名称: BENZOIC ACID, SYNTENIN 1, TNEFAF PEPTIDE
著者Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, Z.S.
登録日2004-10-15
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
1W9E
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BU of 1w9e by Molmil
Crystal structure of the PDZ tandem of human syntenin in complex with TNEFYF peptide
分子名称: BENZOIC ACID, SYNTENIN 1, TNEFYF PEPTIDE
著者Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, U, Derewenda, Z.S.
登録日2004-10-09
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
1W9O
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BU of 1w9o by Molmil
Crystal structure of the PDZ tandem of human syntenin in complex with TNEYYV peptide
分子名称: BENZOIC ACID, SYNTENIN 1, TNEYYV PEPTIDE
著者Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, U, Derewenda, Z.S.
登録日2004-10-15
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
1V1T
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BU of 1v1t by Molmil
Crystal structure of the PDZ tandem of human syntenin in complex with TNEYKV peptide
分子名称: BENZOIC ACID, SYNTENIN 1, TNEYKV PEPTIDE
著者Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, U, Derewenda, Z.S.
登録日2004-04-23
公開日2005-06-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
1YBO
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BU of 1ybo by Molmil
Crystal structure of the PDZ tandem of human syntenin with syndecan peptide
分子名称: Syndecan-4, Syntenin 1
著者Grembecka, J, Cooper, D.R, Cierpicki, T, Kang, B.S, Devedjiev, Y, Derewenda, Z.
登録日2004-12-21
公開日2006-01-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The binding of the PDZ tandem of syntenin to target proteins
Biochemistry, 45, 2006
6RUH
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BU of 6ruh by Molmil
Ni-substituted alpha-Keggin bound to Proteinase K solved by MR
分子名称: Ni-substituted alpha-Keggin, Proteinase K, SULFATE ION
著者Breibeck, J, Bijelic, A, Rompel, A.
登録日2019-05-28
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
6RVE
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BU of 6rve by Molmil
Co-substituted beta-Keggin bound to Proteinase K solved by MR
分子名称: Co-substituted beta-Keggin, Proteinase K, SULFATE ION, ...
著者Breibeck, J, Bijelic, A, Rompel, A.
登録日2019-05-31
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
6RVG
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BU of 6rvg by Molmil
Co-substituted beta-Keggin bound to Proteinase K solved by MR
分子名称: Co-substituted beta-Keggin, Proteinase K, SULFATE ION
著者Breibeck, J, Bijelic, A, Rompel, A.
登録日2019-05-31
公開日2019-09-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
6RUK
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BU of 6ruk by Molmil
Cu-substituted alpha-Keggin bound to Proteinase K solved by MR
分子名称: Cu-substituted alpha-Keggin, Proteinase K, SULFATE ION
著者Breibeck, J, Bijelic, A, Rompel, A.
登録日2019-05-28
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
6RUW
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BU of 6ruw by Molmil
Zn-substituted alpha-Keggin bound to Proteinase K solved by MR
分子名称: Proteinase K, SULFATE ION, Zn-substituted alpha-Keggin
著者Breibeck, J, Bijelic, A, Rompel, A.
登録日2019-05-29
公開日2019-09-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
6RUG
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BU of 6rug by Molmil
Co-substituted alpha-Keggin bound to Proteinase K solved by MR
分子名称: Co-substituted alpha-Keggin, Proteinase K, SULFATE ION
著者Breibeck, J, Bijelic, A, Rompel, A.
登録日2019-05-28
公開日2019-09-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
6RUN
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BU of 6run by Molmil
Co-substituted alpha-Keggin bound to Proteinase K solved by EP
分子名称: Co-substituted alpha-Keggin, Proteinase K, SULFATE ION
著者Breibeck, J, Bijelic, A, Rompel, A.
登録日2019-05-28
公開日2019-09-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization.
Chem.Commun.(Camb.), 55, 2019
7A9K
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BU of 7a9k by Molmil
Co-substituted Keggin silicotungstate with covalent bond to proteinase K
分子名称: Co-substituted Keggin silicotungstate, Proteinase K, SULFATE ION
著者Breibeck, J, Rompel, A.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Speciation of Transition-Metal-Substituted Keggin-Type Silicotungstates Affected by the Co-crystallization Conditions with Proteinase K.
Inorg.Chem., 60, 2021
7A9F
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BU of 7a9f by Molmil
Co-substituted Keggin silicotungstate with covalent bond to proteinase K
分子名称: Co-substituted Keggin silicotungstate, Proteinase K, SULFATE ION
著者Breibeck, J, Rompel, A.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Speciation of Transition-Metal-Substituted Keggin-Type Silicotungstates Affected by the Co-crystallization Conditions with Proteinase K.
Inorg.Chem., 60, 2021
7A9M
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BU of 7a9m by Molmil
Ni-substituted Keggin silicotungstate with covalent bond to proteinase K
分子名称: Ni-substituted Keggin silicotungstate, Proteinase K, SULFATE ION
著者Breibeck, J, Rompel, A.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Speciation of Transition-Metal-Substituted Keggin-Type Silicotungstates Affected by the Co-crystallization Conditions with Proteinase K.
Inorg.Chem., 60, 2021
3LZJ
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BU of 3lzj by Molmil
RB69 DNA Polymerase (Y567A) ternary complex with dCTP Opposite 7,8-Dihydro-8-oxoguanine
分子名称: CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ...
著者Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H.
登録日2010-03-01
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Substitution of Ala for Tyr567 in RB69 DNA polymerase allows dAMP to be inserted opposite 7,8-dihydro-8-oxoguanine .
Biochemistry, 49, 2010
3LZI
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BU of 3lzi by Molmil
RB69 DNA Polymerase (Y567A) ternary complex with dATP Opposite 7,8-dihydro-8-oxoguanine
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ...
著者Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H.
登録日2010-03-01
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substitution of Ala for Tyr567 in RB69 DNA polymerase allows dAMP to be inserted opposite 7,8-dihydro-8-oxoguanine .
Biochemistry, 49, 2010
3NAE
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BU of 3nae by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dATP Opposite Guanidinohydantoin
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ...
著者Wang, M, Beckman, J, Blaha, G, Wang, J, Konigsberg, W.H.
登録日2010-06-01
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Substitution of Ala for Tyr567 in RB69 DNA Polymerase Allows dAMP and dGMP To Be Inserted opposite Guanidinohydantoin .
Biochemistry, 49, 2010
5FZP
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BU of 5fzp by Molmil
Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis
分子名称: CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL
著者Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A.
登録日2016-03-15
公開日2016-08-10
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
J.Biol.Chem., 291, 2016
4X5Y
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BU of 4x5y by Molmil
Menin in complex with MI-503
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ...
著者Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2014-12-06
公開日2015-04-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
4WH7
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BU of 4wh7 by Molmil
Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand
分子名称: 2-fluoro-4-hydroxybenzonitrile, GLYCEROL, M-phase inducer phosphatase 2, ...
著者Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T.
登録日2014-09-20
公開日2014-12-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
4WH9
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BU of 4wh9 by Molmil
Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor
分子名称: 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid, GLYCEROL, M-phase inducer phosphatase 2, ...
著者Lund, G.L, Dudkin, S, Borkin, D, Ni, W, Grembecka, J, Cierpicki, T.
登録日2014-09-20
公開日2014-12-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction.
Acs Chem.Biol., 10, 2015
6OPJ
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BU of 6opj by Molmil
Menin in complex with peptide inhibitor 25
分子名称: DIMETHYL SULFOXIDE, Menin, Peptide inhibitor 25, ...
著者Linhares, B.M, Fortuna, P, Cierpicki, T, Grembecka, J, Berlicki, L.
登録日2019-04-25
公開日2020-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5006572 Å)
主引用文献Covalent and noncovalent constraints yield a figure eight-like conformation of a peptide inhibiting the menin-MLL interaction.
Eur.J.Med.Chem., 207, 2020

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