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5RBW
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BU of 5rbw by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D06b
分子名称: (3-methoxyphenyl)(pyrrolidin-1-yl)methanone, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCC
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BU of 5rcc by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H02b
分子名称: 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBX
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BU of 5rbx by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D10a
分子名称: 2-methyl-N-(4-methylphenyl)-L-alanine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCF
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BU of 5rcf by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H10b
分子名称: (1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBR
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BU of 5rbr by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C04a
分子名称: 2-hydrazinyl-4-methoxypyrimidine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC6
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BU of 5rc6 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F08b
分子名称: 4-[(methylamino)methyl]phenol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
6XKI
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BU of 6xki by Molmil
Crystal structure of eIF4A-I in complex with RNA bound to des-MePateA, a pateamine A analog
分子名称: (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ...
著者Liang, J, Naineni, S.K, Pelletier, J, Nagar, B.
登録日2020-06-26
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A.
Cell Chem Biol, 28, 2021
5RC7
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BU of 5rc7 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F11a
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
4V1A
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BU of 4v1a by Molmil
Structure of the large subunit of the mammalian mitoribosome, part 2 of 2
分子名称: MITORIBOSOMAL PROTEIN ML37, MRPL37, MITORIBOSOMAL PROTEIN ML38, ...
著者Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N.
登録日2014-09-25
公開日2014-10-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome
Nature, 515, 2014
4YKE
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BU of 4yke by Molmil
Crystal structure of eukaryotic Mre11 catalytic domain from Chaetomium thermophilum
分子名称: MANGANESE (II) ION, Mre11
著者Seifert, F.U, Lammens, K, Hopfner, K.-P.
登録日2015-03-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.783 Å)
主引用文献Structure of the catalytic domain of Mre11 from Chaetomium thermophilum.
Acta Crystallogr.,Sect.F, 71, 2015
3NHG
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BU of 3nhg by Molmil
RB69 DNA Polymerase (S565G/Y567A) Ternary Complex with dTTP Opposite dG
分子名称: CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ...
著者Wang, M, Wang, J, Konigsberg, W.H.
登録日2010-06-14
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Variation in Mutation Rates Caused by RB69pol Fidelity Mutants Can Be Rationalized on the Basis of Their Kinetic Behavior and Crystal Structures.
J.Mol.Biol., 406, 2011
7Z34
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BU of 7z34 by Molmil
Structure of pre-60S particle bound to DRG1(AFG2).
分子名称: 35S pre-ribosomal RNA, 5.8S rRNA, 5S rRNA, ...
著者Prattes, M, Grishkovskaya, I, Bergler, H, Haselbach, D.
登録日2022-03-01
公開日2022-09-21
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Visualizing maturation factor extraction from the nascent ribosome by the AAA-ATPase Drg1.
Nat.Struct.Mol.Biol., 29, 2022
5RBU
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BU of 5rbu by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D01a
分子名称: 2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC9
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BU of 5rc9 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G03b
分子名称: 3-ethoxybenzene-1-carboximidamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBP
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BU of 5rbp by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library B03a
分子名称: 2-[(1~{S})-1-azanylpropyl]phenol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC4
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BU of 5rc4 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F04a
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2020-06-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
3NGI
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BU of 3ngi by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite dG
分子名称: CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ...
著者Wang, M, Wang, J, Konigsberg, W.H.
登録日2010-06-11
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.886 Å)
主引用文献Variation in Mutation Rates Caused by RB69pol Fidelity Mutants Can Be Rationalized on the Basis of Their Kinetic Behavior and Crystal Structures.
J.Mol.Biol., 406, 2011
6VP9
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BU of 6vp9 by Molmil
Cryo-EM structure of human NatB complex
分子名称: CARBOXYMETHYL COENZYME *A, MDVFM peptide, N-alpha-acetyltransferase 20, ...
著者Deng, S, Marmorstein, R.
登録日2020-02-02
公開日2020-09-23
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Molecular basis for N-terminal alpha-synuclein acetylation by human NatB.
Elife, 9, 2020
4W68
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BU of 4w68 by Molmil
Cytoplasmically Produced Homodimeric Single Domain Antibody (sdAb) C22A/C99V variant against Staphylococcal enterotoxin B (SEB)
分子名称: SULFATE ION, Single domain antibody
著者George, J, Legler, P.M.
登録日2014-08-20
公開日2014-11-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mutational analysis of a monomeric and dimeric form of a single domain antibody with implications for protein misfolding.
Proteins, 82, 2014
6VZ8
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BU of 6vz8 by Molmil
Arabidopsis thaliana acetohydroxyacid synthase complex with valine bound
分子名称: Acetolactate synthase small subunit 2, chloroplastic, Acetolactate synthase, ...
著者Guddat, L.W, Low, Y.S.
登録日2020-02-27
公開日2020-07-15
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
6VZD
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BU of 6vzd by Molmil
N-terminal domain of mouse surfactant protein B (K46E/R51E mutant) with bound lipid
分子名称: (7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate, Pulmonary surfactant-associated protein B
著者Rapoport, T.A, Bodnar, N.O.
登録日2020-02-28
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Mechanism of Lamellar Body Formation by Lung Surfactant Protein B.
Mol.Cell, 81, 2021
4W6Z
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BU of 4w6z by Molmil
YEAST ALCOHOL DEHYDROGENASE I, SACCHAROMYCES CEREVISIAE FERMENTATIVE ENZYME
分子名称: Alcohol dehydrogenase 1, NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
著者plapp, B.v, savarimuthu, b.r, ramaswamy, s.
登録日2014-08-21
公開日2014-09-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Yeast alcohol dehydrogenase structure and catalysis.
Biochemistry, 53, 2014
4W85
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BU of 4w85 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in complex with glucose
分子名称: MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase, beta-D-glucopyranose
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015
5XD2
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BU of 5xd2 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with Ap5A, ATP and manganese
分子名称: ADENOSINE-5'-PENTAPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Arif, S.M, Varshney, U, Vijayan, M.
登録日2017-03-24
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
4W84
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BU of 4w84 by Molmil
Crystal structure of XEG5A, a GH5 xyloglucan-specific endo-beta-1,4-glucanase from ruminal metagenomic library, in the native form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Xyloglucan-specific endo-beta-1,4-glucanase
著者Santos, C.R, Cordeiro, R.L, Wong, D.W.S, Murakami, M.T.
登録日2014-08-22
公開日2015-03-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for Xyloglucan Specificity and alpha-d-Xylp(1 6)-d-Glcp Recognition at the -1 Subsite within the GH5 Family.
Biochemistry, 54, 2015

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