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5LWO
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BU of 5lwo by Molmil
Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at 100K
分子名称: 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T.
登録日2016-09-18
公開日2017-03-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.183 Å)
主引用文献Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins.
J Phys Chem Lett, 8, 2017
6T33
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BU of 6t33 by Molmil
The unusual structure of Ruminococcin C1 antimicrobial peptide confers activity against clinical pathogens
分子名称: Ruminococcin C
著者Chiumento, S, Roblin, C, Bornet, O, Nouailler, M, Muller, C, Basset, C, Kieffer-Jaquinod, S, Coute, Y, Torelli, S, Le Pape, L, Shunemann, V, Jeannot, K, Nicoletti, C, Iranzo, O, Maresca, M, Giardina, T, Fons, M, Devillard, E, Perrier, J, Atta, M, Guerlesquin, F, Lafond, M, Duarte, V.
登録日2019-10-10
公開日2020-08-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The unusual structure of Ruminococcin C1 antimicrobial peptide confers clinical properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
3NSU
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BU of 3nsu by Molmil
A Systematic Screen for Protein-Lipid Interactions in Saccharomyces cerevisiae
分子名称: Phosphatidylinositol 4,5-bisphosphate-binding protein SLM1, SULFATE ION
著者Gallego, O, Fernandez-Tornero, C, Aguilar-Gurrieri, C, Muller, C, Gavin, A.C.
登録日2010-07-02
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A systematic screen for protein-lipid interactions in Saccharomyces cerevisiae.
Mol. Syst. Biol., 6, 2010
6NVX
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BU of 6nvx by Molmil
Crystal structure of penicillin G acylase from Bacillus sp. FJAT-27231
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
著者Blankenfeldt, W.
登録日2019-02-05
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Appl.Microbiol.Biotechnol., 103, 2019
6NVW
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BU of 6nvw by Molmil
Crystal structure of penicillin G acylase from Bacillus megaterium
分子名称: CALCIUM ION, Penicillin G acylase
著者Blankenfeldt, W.
登録日2019-02-05
公開日2019-07-03
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Appl.Microbiol.Biotechnol., 103, 2019
6NVY
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BU of 6nvy by Molmil
Crystal structure of penicillin G acylase from Bacillus thermotolerans
分子名称: CALCIUM ION, GLYCEROL, Penicillin G acylase
著者Blankenfeldt, W.
登録日2019-02-05
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Appl.Microbiol.Biotechnol., 103, 2019
1G29
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BU of 1g29 by Molmil
MALK
分子名称: 1,4-DIETHYLENE DIOXIDE, AMMONIUM ION, CHLORIDE ION, ...
著者Diederichs, K, Diez, J, Greller, G, Mueller, C, Breed, J, Schnell, C, Vonrhein, C, Boos, W, Welte, W.
登録日2000-10-18
公開日2000-12-06
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of MalK, the ATPase subunit of the trehalose/maltose ABC transporter of the archaeon Thermococcus litoralis.
EMBO J., 19, 2000
4X1G
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BU of 4x1g by Molmil
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, ISOPROPYL ALCOHOL, ...
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-11-24
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
4X1F
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BU of 4x1f by Molmil
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-11-24
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
4XAO
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BU of 4xao by Molmil
Crystal structure of the hPXR-LBD obtained in presence of the pesticide trans-nonachlor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2014-12-15
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
6SBO
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BU of 6sbo by Molmil
Estrogen receptor mutant L536S
分子名称: 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid, Estrogen receptor
著者Vallee, F, Steier, V, Rak, A.
登録日2019-07-22
公開日2019-11-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of 6-(2,4-Dichlorophenyl)-5-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid (SAR439859), a Potent and Selective Estrogen Receptor Degrader (SERD) for the Treatment of Estrogen-Receptor-Positive Breast Cancer.
J.Med.Chem., 63, 2020
6FNX
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BU of 6fnx by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR F1
分子名称: 1,2-ETHANEDIOL, 7-ethyl-3-(phenylmethyl)purine-2,6-dione, Bromodomain-containing protein 4
著者Raux, B, Betzi, S.
登録日2018-02-05
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
5MGP
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BU of 5mgp by Molmil
Structural basis for ArfA-RF2 mediated translation termination on stop-codon lacking mRNAs
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Huter, P, Mueller, C, Beckert, B, Arenz, S, Berninghausen, O, Beckmann, R, Wilson, N.D.
登録日2016-11-21
公開日2016-12-14
最終更新日2017-08-30
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for ArfA-RF2-mediated translation termination on mRNAs lacking stop codons.
Nature, 541, 2017
6HBD
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BU of 6hbd by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with Beta-D-Galactofuranose
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION, beta-D-galactofuranose
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-10
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
6HBM
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BU of 6hbm by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with alpha-L-arabinofuranose
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION, alpha-L-arabinofuranose
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-10
公開日2019-05-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
6HB0
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BU of 6hb0 by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis
分子名称: ABC transporter periplasmic-binding protein YtfQ, ZINC ION
著者Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C.
登録日2018-08-09
公開日2019-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
6HYH
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BU of 6hyh by Molmil
Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with Beta-D-Fucofuranose
分子名称: Periplasmic binding protein/LacI transcriptional regulator, ZINC ION, beta-D-fucofuranose
著者Li, M, Mueller, C, Zhang, L, Einsle, O, Jessen-Trefzer, C.
登録日2018-10-21
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol.
Cell Chem Biol, 26, 2019
8BGA
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BU of 8bga by Molmil
Structure of Mpro in complex with FGA146
分子名称: 3C-like proteinase nsp5, 4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
著者Medrano, F.J, Romero, A.
登録日2022-10-27
公開日2023-11-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.
Commun Chem, 7, 2024
5HYI
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BU of 5hyi by Molmil
Glycosylated, disulfide-linked Hole-Hole Fc fragment
分子名称: Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
5HYE
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BU of 5hye by Molmil
Glycosylated Knob-Knob Fc fragment (P212121)
分子名称: Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
5HYF
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BU of 5hyf by Molmil
Glycosylated Knob-Knob Fc fragment (P6122)
分子名称: Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
5HY9
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BU of 5hy9 by Molmil
Glycosylated, disulfide-linked Knob-into-Hole Fc fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural differences between glycosylated, disulfide-linked heterodimeric Knob-into-Hole Fc fragment and its homodimeric Knob-Knob and Hole-Hole side products.
Protein Eng. Des. Sel., 30, 2017
6RKZ
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BU of 6rkz by Molmil
Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
登録日2019-04-30
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6RL0
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Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
登録日2019-04-30
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6FO5
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BU of 6fo5 by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
著者Raux, B, Betzi, S.
登録日2018-02-06
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018

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