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6QIL
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BU of 6qil by Molmil
The complex structure of hsRosR-S1 (VNG0258H/RosR-S1)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (28-MER), DNA binding protein, ...
著者Shaanan, B, Kutnowski, N.
登録日2019-01-21
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specificity of protein-DNA interactions in hypersaline environment: structural studies on complexes of Halobacterium salinarum oxidative stress-dependent protein hsRosR.
Nucleic Acids Res., 47, 2019
7Y0A
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BU of 7y0a by Molmil
Crystal structure of human short-chain acyl-CoA dehydrogenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, FORMIC ACID, Short-chain specific acyl-CoA dehydrogenase, ...
著者Huang, Y, Xu, Y, Li, J.
登録日2022-06-04
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.317 Å)
主引用文献Crystal structure of human short-chain acyl-CoA dehydrogenase
To Be Published
7Y0B
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BU of 7y0b by Molmil
Crystal structure of human short-chain acyl-CoA dehydrogenase
分子名称: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Short-chain specific acyl-CoA dehydrogenase, ...
著者Huang, Y, Xu, Y, Li, J.
登録日2022-06-04
公開日2023-07-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Crystal structure of human short-chain acyl-coA dehydrogenase
To Be Published
6QGH
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BU of 6qgh by Molmil
Structure of human Bcl-2 in complex with ABT-263
分子名称: 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGJ
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BU of 6qgj by Molmil
Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid
分子名称: 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QLH
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Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavin prenyltransferase UbiX, Isopentenyl phosphate, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLI
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Crystal structure of F181Q UbiX in complex with FMN and dimethylallyl monophosphate
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QLL
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Crystal structure of F181H UbiX in complex with FMN and dimethylallyl monophosphate
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, Flavin prenyltransferase UbiX, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6Q44
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BU of 6q44 by Molmil
Est3 telomerase subunit in the yeast Hansenula polymorpha
分子名称: Uncharacterized protein
著者Mantsyzov, A.B, Mariasina, S.S, Petrova, O.A, Efimov, S.V, Dontsova, O.A, Polshakov, V.I.
登録日2018-12-05
公開日2019-12-25
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Insights into the structure and function of Est3 from the Hansenula polymorpha telomerase.
Sci Rep, 10, 2020
6PWV
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BU of 6pwv by Molmil
Cryo-EM structure of MLL1 core complex bound to the nucleosome
分子名称: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6QNW
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BU of 6qnw by Molmil
Influenza A Polymerase Heterotrimer Human H3N2 Northern Territory 1968
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
著者Keown, J.R, Fan, H, Grimes, J.M.
登録日2019-02-12
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
6QLV
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Crystal structure of W200H UbiX in complex with a geranyl-FMN N5 adduct
分子名称: ACETATE ION, FLAVIN MONONUCLEOTIDE, Flavin prenyltransferase UbiX, ...
著者Marshall, S.A, Leys, D.
登録日2019-02-01
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
6QYH
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BU of 6qyh by Molmil
Structure of Apo HPAB from E.coli
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, CALCIUM ION, ...
著者Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M.
登録日2019-03-09
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
6QNP
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BU of 6qnp by Molmil
CLATHRIN HEAVY CHAIN N-TERMINAL DOMAIN BOUND TO GTSE1 LIDL MOTIF
分子名称: Clathrin heavy chain 1, G2 and S phase-expressed protein 1
著者Porfetye, A.T, Lin, Y, Vetter, I.R.
登録日2019-02-11
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Clathrin's adaptor interaction sites are repurposed to stabilize microtubules during mitosis.
J.Cell Biol., 219, 2020
6QP0
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Crystal structure of Chaetomium thermophilum Kti12 in complex with ADP-AlF3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
著者Krutyholowa, R, Glatt, S.
登録日2019-02-13
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Kti12, a PSTK-like tRNA dependent ATPase essential for tRNA modification by Elongator.
Nucleic Acids Res., 47, 2019
6QXP
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BU of 6qxp by Molmil
Protein peptide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat extensin-like protein 2, ...
著者Moussu, S, Caroline, C, Santos-Fernandez, G, Wehrle, S, Grossniklaus, U, Santiago, J.
登録日2019-03-07
公開日2020-03-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献Structural basis for recognition of RALF peptides by LRX proteins during pollen tube growth.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QV3
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BU of 6qv3 by Molmil
Crystal structure of the Ski2 RNA-helicase Brr2 from Chaetomium thermophilum bound to ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Absmeier, E, Santos, K.F, Wahl, M.C.
登録日2019-03-01
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular Mechanism Underlying Inhibition of Intrinsic ATPase Activity in a Ski2-like RNA Helicase.
Structure, 28, 2020
6QQ7
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BU of 6qq7 by Molmil
Bovine insulin at ambient pressure
分子名称: Insulin
著者Kurpiewska, K, Milaczewska, A, Lewinski, K.
登録日2019-02-18
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insulin conformational changes under high pressure in structural studies and molecular dynamics simulations
J.Mol.Struct., 2020
6QQG
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High pressure structure of bovine insulin (60 MPa)
分子名称: Insulin
著者Kurpiewska, K, Milaczewska, A, Lewinski, K.
登録日2019-02-18
公開日2019-03-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Insulin conformational changes under high pressure in structural studies and molecular dynamics simulations
J.Mol.Struct., 2020
6QUM
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BU of 6qum by Molmil
Thermus thermophilus V/A-type ATPase/synthase, rotational state 1
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, V-type ATP synthase alpha chain, ...
著者Zhou, L, Sazanov, L.
登録日2019-02-27
公開日2019-08-28
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structure and conformational plasticity of the intact Thermus thermophilus V/A-type ATPase.
Science, 365, 2019
6QYI
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BU of 6qyi by Molmil
Structure of HPAB from E.coli in complex with FAD
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxyphenylacetate 3-monooxygenase oxygenase component, DI(HYDROXYETHYL)ETHER, ...
著者Pecqueur, L, Lombard, M, Deng, Y, Fontecave, M.
登録日2019-03-09
公開日2019-06-12
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.
Chembiochem, 21, 2020
7YD9
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BU of 7yd9 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine
分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YDA
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BU of 7yda by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87V/T268V/A184V in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.557 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YDB
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Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,ethylbenzene and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.472 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023
7YDC
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BU of 7ydc by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
著者Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y.
登録日2022-07-04
公開日2023-05-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.609 Å)
主引用文献Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Angew.Chem.Int.Ed.Engl., 62, 2023

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件を2024-09-25に公開中

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