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6SHX
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BU of 6shx by Molmil
DNA mismatch repair proteins MLH1 and MLH3
分子名称: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
著者Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2019-08-08
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6SNS
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BU of 6sns by Molmil
DNA mismatch repair proteins MLH1 and MLH3
分子名称: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
著者Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2019-08-27
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6SNV
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BU of 6snv by Molmil
DNA mismatch repair proteins MLH1 and MLH3
分子名称: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
著者Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2019-08-27
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
5HDA
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BU of 5hda by Molmil
Crystal Structure of the BS69 coiled coil-MYND domains bound to an EBNA2 PXLXP motif
分子名称: Epstein-Barr nuclear antigen 2, ZINC ION, Zinc finger MYND domain-containing protein 11
著者Song, J, Harter, M.
登録日2016-01-05
公開日2016-01-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3899 Å)
主引用文献BS69/ZMYND11 C-Terminal Domains Bind and Inhibit EBNA2.
Plos Pathog., 12, 2016
6TQH
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BU of 6tqh by Molmil
Escherichia coli AdhE structure in its extended conformation
分子名称: Aldehyde-alcohol dehydrogenase, FE (III) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Fronzes, R, Pony, P.
登録日2019-12-16
公開日2020-06-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Filamentation of the bacterial bi-functional alcohol/aldehyde dehydrogenase AdhE is essential for substrate channeling and enzymatic regulation.
Nat Commun, 11, 2020
7BO6
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VDR complex with LCA derivative
分子名称: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Nuclear receptor coactivator 1, Vitamin D3 receptor A
著者Rochel, N.
登録日2021-01-24
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Lithocholic acid-based design of noncalcemic vitamin D receptor agonists.
Bioorg.Chem., 111, 2021
6G1B
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BU of 6g1b by Molmil
Corynebacterium glutamicum OxyR, oxidized form
分子名称: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, FORMIC ACID, HYDROGEN PEROXIDE, ...
著者Young, D.R, Pedre, B.P, Messens, J.M.
登録日2018-03-21
公開日2018-12-05
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6G4R
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BU of 6g4r by Molmil
Corynebacterium glutamicum OxyR C206S mutant, H2O2-bound
分子名称: 1,2-ETHANEDIOL, HYDROGEN PEROXIDE, Hydrogen peroxide-inducible genes activator, ...
著者Young, D.R, Pedre, B.P, Messens, J.M.
登録日2018-03-28
公開日2018-12-05
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6G1D
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BU of 6g1d by Molmil
Corynebacterium glutamicum OxyR C206 mutant
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Young, D.R, Pedre, B.P, Messens, J.M.
登録日2018-03-21
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7ZCE
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BU of 7zce by Molmil
SARS-CoV-2 Spike protein in complex with the single chain fragment scFv76
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, Spike glycoprotein,Fibritin, ...
著者Chaves-Sanjuan, A, Bolognesi, M.
登録日2022-03-28
公開日2022-10-12
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
7ZCF
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BU of 7zcf by Molmil
SARS-CoV-2 Spike RBD in complex with the single chain fragment scFv76 (Focused Refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, scFv76 single chain fragment
著者Chaves-Sanjuan, A, Bolognesi, M.
登録日2022-03-28
公開日2022-10-12
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
分子名称: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-07-31
公開日2018-11-14
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
著者Judge, R.A, Hobson, A.D.
登録日2018-08-08
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9W
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BU of 6e9w by Molmil
Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
8AMD
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BU of 8amd by Molmil
Cryo-EM structure of the RecA presynaptic filament from S.pneumoniae
分子名称: DNA, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein RecA
著者Perry, T.N, Fronzes, R, Polard, P, Hertzog, M.
登録日2022-08-03
公開日2023-03-22
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Assembly mechanism and cryoEM structure of RecA recombination nucleofilaments from Streptococcus pneumoniae.
Nucleic Acids Res., 51, 2023
8AMF
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BU of 8amf by Molmil
Cryo-EM structure of the RecA postsynaptic filament from S. pneumoniae
分子名称: DNA, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein RecA
著者Perry, T.N, Fronzes, R, Polard, P, Hertzog, M.
登録日2022-08-03
公開日2024-02-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Assembly mechanism and cryoEM structure of RecA recombination nucleofilaments from Streptococcus pneumoniae.
Nucleic Acids Res., 51, 2023
8TX6
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BU of 8tx6 by Molmil
Crystal structure of an engineered variant of galactose oxidase, GOaseRd7BB, from Fusarium graminearum
分子名称: ACETATE ION, CALCIUM ION, COPPER (II) ION, ...
著者Selvaraj, B, Orth, P.
登録日2023-08-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Development of a Biocatalytic Aerobic Oxidation for the Manufacturing Route to Islatravir
Chemrxiv, 2023
8TX5
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BU of 8tx5 by Molmil
Crystal structure of an engineered variant of galactose oxidase, GOaseRd4BB, from Fusarium graminearum
分子名称: COPPER (II) ION, GLYCEROL, Galactose oxidase
著者Selvaraj, B, Orth, P.
登録日2023-08-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Development of a Biocatalytic Aerobic Oxidation for the Manufacturing Route to Islatravir
Chemrxiv, 2023
6BW3
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BU of 6bw3 by Molmil
Crystal structure of RBBP4 in complex with PRDM3 N-terminal peptide
分子名称: Histone-binding protein RBBP4, MDS1 and EVI1 complex locus protein MDS1, UNKNOWN ATOM OR ION
著者Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-12-14
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
6BW4
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Crystal structure of RBBP4 in complex with PRDM16 N-terminal peptide
分子名称: Histone-binding protein RBBP4, PR domain zinc finger protein 16, UNKNOWN ATOM OR ION
著者Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-12-14
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
7QGC
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BU of 7qgc by Molmil
H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 5.5
分子名称: 5,6-DIBROMOBENZOTRIAZOLE, CITRATE ANION, Casein kinase II subunit alpha, ...
著者Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J.
登録日2021-12-08
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
7QGE
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BU of 7qge by Molmil
H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6,7,8-TETRABROMOBENZOTRIAZOLE (TBBt) AT PH 8.5
分子名称: 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J.
登録日2021-12-08
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
7QGD
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H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 8.5
分子名称: 5,6-DIBROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ...
著者Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J.
登録日2021-12-08
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
7QGB
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H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 6.5
分子名称: 5,6-DIBROMOBENZOTRIAZOLE, Casein kinase II subunit alpha
著者Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J.
登録日2021-12-08
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022

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