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9BH6
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Human DNA polymerase theta helicase domain tetramer in the apo form
分子名称: DNA polymerase theta
著者Zerio, C.J, Lander, G.C.
登録日2024-04-19
公開日2024-05-01
最終更新日2025-03-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Human polymerase theta helicase positions DNA microhomologies for double-strand break repair.
Nat.Struct.Mol.Biol., 2025
5N02
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Crystal structure of the decarboxylase AibA/AibB C56S variant
分子名称: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
9BHA
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Human DNA polymerase theta helicase domain dimer bound to DNA in the microhomology annealed conformation
分子名称: DNA polymerase theta, Stem-loop DNA with microhomology in the 3' overhang
著者Zerio, C.J, Lander, G.C.
登録日2024-04-19
公開日2024-05-01
最終更新日2025-03-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Human polymerase theta helicase positions DNA microhomologies for double-strand break repair.
Nat.Struct.Mol.Biol., 2025
2JST
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BU of 2jst by Molmil
Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics
分子名称: 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE, Four-Alpha-Helix Bundle
著者Cui, T, Bondarenko, V, Ma, D, Canlas, C, Brandon, N.R, Johansson, J.S, Tang, P, Xu, Y.
登録日2007-07-12
公開日2008-05-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Four-alpha-helix bundle with designed anesthetic binding pockets. Part II: halothane effects on structure and dynamics
Biophys.J., 94, 2008
5NJR
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BU of 5njr by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 4ET8
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
登録日2017-03-29
公開日2017-10-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
7RP8
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X-ray crystal structure of OXA-24/40 K84D in complex with imipenem
分子名称: Beta-lactamase, Imipenem, SULFATE ION
著者Powers, R.A, Mitchell, J.M, June, C.M.
登録日2021-08-03
公開日2022-07-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Conformational flexibility in carbapenem hydrolysis drives substrate specificity of the class D carbapenemase OXA-24/40.
J.Biol.Chem., 298, 2022
9BHR
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BU of 9bhr by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
分子名称: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1
著者kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2024-04-21
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound
To be published
1AG0
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BU of 1ag0 by Molmil
STRUCTURE OF CYS 112 ASP AZURIN FROM PSEUDOMONAS AERUGINOSA
分子名称: AZURIN, COPPER (II) ION
著者Faham, S, Rees, D.C.
登録日1997-03-26
公開日1997-10-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Role of the Active-Site Cysteine of Pseudomonas Aeruginosa Azurin. Crystal Structure Analysis of the Cu(II) Cys112Asp Protein
To be Published
5BYW
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BU of 5byw by Molmil
Crystal structure of engineered trifunctional CtCEL5E
分子名称: Endoglucanase H
著者Lin, W.L, Liang, P.H, Ho, M.C.
登録日2015-06-11
公開日2016-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of engineered trifunctional CtCel5E
to be published
6RKI
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BU of 6rki by Molmil
Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
3HSQ
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BU of 3hsq by Molmil
Structural Basis for the Sugar Nucleotide and Acyl Chain Selectivity of Leptospira interrogans LpxA
分子名称: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
著者Robins, L.I, Williams, A.H, Raetz, C.R.
登録日2009-06-10
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the sugar nucleotide and acyl-chain selectivity of Leptospira interrogans LpxA.
Biochemistry, 48, 2009
5N5M
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BU of 5n5m by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and (R)-3-(2-((isoquinolin-5-ylmethyl)(methyl)carbamoyl)phenyl)pyrrolidin-1-ium
分子名称: Pimtide, Serine/threonine-protein kinase pim-1, ~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A crystallographic fragment study with human Pim-1 kinase
to be published
6RKM
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BU of 6rkm by Molmil
Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
2BRC
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BU of 2brc by Molmil
Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.
分子名称: 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2005-05-04
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 15, 2005
5N5W
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BU of 5n5w by Molmil
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV3
分子名称: 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline, CALCIUM ION, ...
著者Sijbesma, E, Leysen, S, Ottmann, C.
登録日2017-02-14
公開日2017-07-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
6RL4
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BU of 6rl4 by Molmil
Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
5NLD
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BU of 5nld by Molmil
Chicken GRIFIN (crystallisation pH: 7.5)
分子名称: Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Ruiz, F.M, Romero, A.
登録日2017-04-04
公開日2018-02-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
3P6P
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BU of 3p6p by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
分子名称: (3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
著者Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
登録日2010-10-11
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
To be Published
2C2U
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BU of 2c2u by Molmil
Dps from Deinococcus radiodurans
分子名称: DNA-BINDING STRESS RESPONSE PROTEIN, FE (III) ION, SULFATE ION, ...
著者Romao, C.V, Mitchell, E, McSweeney, S.
登録日2005-09-30
公開日2006-07-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Crystal Structure of Deinococcus Radiodurans Dps Protein (Dr2263) Reveals the Presence of a Novel Metal Centre in the N Terminus.
J.Biol.Inorg.Chem., 11, 2006
3P04
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Crystal Structure of the BCR protein from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR8
分子名称: Uncharacterized BCR
著者Vorobiev, S, Lew, S, Seetharaman, J, Hamilton, H, Xiao, R, Patel, D.J, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-09-27
公開日2010-10-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the BCR protein from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR8.
To be Published
5CHG
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BU of 5chg by Molmil
Human DNA polymerase lambda L431A mutant- MgdGTP binary and complex with 6 paired DNA
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(P*GP*TP*AP*CP*TP*G)-3'), ...
著者Liu, M.S, Tsai, M.D.
登録日2015-07-10
公開日2016-02-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Mechanism for the Fidelity Modulation of DNA Polymerase lambda
J.Am.Chem.Soc., 138, 2016
9EHI
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BU of 9ehi by Molmil
Crystal structure of ENL YEATS in complex with histone H3 methacrylated at K18
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Histone H3.1, Protein ENL
著者Becht, D.C, Selvam, K, Kutateladze, T.G.
登録日2024-11-22
公開日2025-04-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of ENL YEATS in complex with histone H3 methacrylated at K18
To Be Published
1EB8
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Structure Determinants of Substrate Specificity of Hydroxynitrile Lyase from Manihot esculenta
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-ACETONE-CYANOHYDRIN LYASE
著者Lauble, H, Miehlich, B, Foerster, S, Kobler, C, Wajant, H, Effenberger, F.
登録日2001-07-24
公開日2002-01-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure Determinants of Substrate Specificity of Hydroxynitrile Lyase from Manihot Esculenta.
Protein Sci., 11, 2002
5C14
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Crystal structure of PECAM-1 D1D2 domain
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Zhou, D, Paddock, C, Newman, P, Zhu, J.
登録日2015-06-12
公開日2016-01-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for PECAM-1 homophilic binding.
Blood, 127, 2016
7S4F
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Protein Tyrosine Phosphatase 1B - F182Q mutant bound with Hepes
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Brandao, T.A.S, Hengge, A.C, Johnson, S.J.
登録日2021-09-08
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022

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件を2025-06-04に公開中

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