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PDB: 492 件

8BA5
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Crystal structure of the DNMT3A ADD domain
分子名称: 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, MAGNESIUM ION, ...
著者Linhard, V, Kunert, S, Wollenhaupt, J, Broehm, A, Schwalbe, H, Jeltsch, A.
登録日2022-10-11
公開日2022-11-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site.
Protein Sci., 32, 2023
5M6U
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HUMAN PI3KDELTA IN COMPLEX WITH LASW1579
分子名称: 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A.
登録日2016-10-26
公開日2017-02-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
6Q6C
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Pore-modulating toxins exploit inherent slow inactivation to block K+ channels
分子名称: 1,2-ETHANEDIOL, Kunitz-type conkunitzin-S1, NITRATE ION, ...
著者Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E.
登録日2018-12-10
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Pore-modulating toxins exploit inherent slow inactivation to block K+channels.
Proc.Natl.Acad.Sci.USA, 116, 2019
6P7A
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CRYSTAL STRUCTURE OF THE FOWLPOX VIRUS HOLLIDAY JUNCTION RESOLVASE
分子名称: CADMIUM ION, Holliday junction resolvase
著者Li, N, Shi, K, Banerjee, S, Rao, T, Aihara, H.
登録日2019-06-05
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.081 Å)
主引用文献Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
8P7I
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The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol, FORMIC ACID, Parathion hydrolase, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7S
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The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-31
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7N
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The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: FORMIC ACID, Parathion hydrolase, ZINC ION
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7V
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The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ...
著者Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-31
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.737 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7Q
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BU of 8p7q by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7U
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BU of 8p7u by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-31
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7R
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BU of 8p7r by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7T
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BU of 8p7t by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-31
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7M
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BU of 8p7m by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: FORMIC ACID, GLYCEROL, METHYLPHOSPHONIC ACID ESTER GROUP, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7H
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BU of 8p7h by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: 1,2-ETHANEDIOL, 2-methylidene-1,3-dioxane-4,4-diol, FORMIC ACID, ...
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.774 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
8P7F
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BU of 8p7f by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: Parathion hydrolase, ZINC ION
著者Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-11-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
6P7B
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Crystal structure of Fowlpox virus resolvase and substrate Holliday junction DNA complex
分子名称: DNA (29-MER), Holliday junction resolvase
著者Li, N, Shi, K, Rao, T, Banerjee, S, Aihara, H.
登録日2019-06-05
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.317 Å)
主引用文献Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
6V3R
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Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole
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, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ...
著者Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
登録日2019-11-26
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
8GKV
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Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X.
登録日2023-03-20
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis
to be published
5VGL
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Crystal structure of lachrymatory factor synthase from Allium cepa
分子名称: Lachrymatory-factor synthase
著者Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M.
登録日2017-04-11
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
8P7K
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The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
分子名称: (2~{R})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ...
著者Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
登録日2023-05-30
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
5VGS
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Crystal structure of lachrymatory factor synthase from Allium cepa in complex with crotyl alcohol
分子名称: (2E)-but-2-en-1-ol, (2Z)-but-2-en-1-ol, Lachrymatory-factor synthase
著者Silvaroli, J.A, Pleshinger, M.J, Banerjee, S, Kiser, P.D, Golczak, M.
登録日2017-04-11
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enzyme That Makes You Cry-Crystal Structure of Lachrymatory Factor Synthase from Allium cepa.
ACS Chem. Biol., 12, 2017
5XZE
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Mouse cGAS bound to the inhibitor RU332
分子名称: (3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3'), ...
著者Vincent, J, Adura, C, Gao, P, Luz, A, Lama, L, Asano, Y, Okamoto, R, Imaeda, T, Aida, J, Rothamel, K, Gogakos, T, Steinberg, J, Reasoner, S, Aso, K, Tuschl, T, Patel, D.J, Glickman, J.F, Ascano, M.
登録日2017-07-12
公開日2017-10-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Nat Commun, 8, 2017
6FYH
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Disulfide between ubiquitin G76C and the E3 HECT ligase Huwe1
分子名称: E3 ubiquitin-protein ligase HUWE1, Polyubiquitin-B, SULFATE ION, ...
著者Jaeckl, M, Hartmann, M.D, Wiesner, S.
登録日2018-03-12
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation.
J. Mol. Biol., 430, 2018
7PYU
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Structure of an LPMO (expressed in E.coli) at 1.49x10^4 Gy
分子名称: ACETATE ION, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
登録日2021-10-11
公開日2022-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
6YR6
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14-3-3 sigma in complex with hDM2-186 peptide
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
著者Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C.
登録日2020-04-19
公開日2021-11-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022

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