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7AFK
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BU of 7afk by Molmil
Bacterial 30S ribosomal subunit assembly complex state D (head domain)
分子名称: 16SrRNA (head domain of the 30S ribosome), 30S ribosomal protein S10, 30S ribosomal protein S13, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2020-09-19
公開日2021-07-07
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
4YU2
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BU of 4yu2 by Molmil
Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor
分子名称: (1-chloro-7-methoxy-9H-beta-carbolin-9-yl)acetonitrile, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ...
著者Chaikuad, A, Wurzlbauer, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-03-18
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine.
Molecules, 25, 2020
5IWA
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BU of 5iwa by Molmil
Crystal structure of the 30S ribosomal subunit from Thermus thermophilus in complex with the GE81112 peptide antibiotic
分子名称: (2S,3S)-2-{[(2S)-3-(2-amino-1H-imidazol-5-yl)-2-{[(2S,4S)-5-(carbamoyloxy)-4-hydroxy-2-({[(2S,3S)-3-hydroxypiperidin-2-yl]carbonyl}amino)pentanoyl]amino}propanoyl]amino}-3-(2-chloro-1H-imidazol-5-yl)-3-hydroxypropanoic acid, 16S ribosomal RNA, 30S ribosomal protein S10, ...
著者Schedlbauer, A, Kaminishi, T, Ochoa-Lizarralde, B, Chieko, N, Masahito, K, Takemoto, C, Yokoyama, S, Connell, S.R, Fucini, P.
登録日2016-03-22
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Inhibition of translation initiation complex formation by GE81112 unravels a 16S rRNA structural switch involved in P-site decoding.
Proc.Natl.Acad.Sci.USA, 113, 2016
1ZYI
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BU of 1zyi by Molmil
Solution structure of ICLN, a multifunctional protein involved in regulatory mechanisms as different as cell volume regulation and rna splicing
分子名称: Methylosome subunit pICln
著者Fuerst, J, Schedlbauer, A, Gandini, R, Garavaglia, M.L, Siano, S, Gschwentner, M, Sarg, B, Kontaxis, G, Konrat, R, Paulmichl, M.
登録日2005-06-10
公開日2005-06-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献ICln159 folds into a pleckstrin homology domain-like structure. Interaction with kinases and the splicing factor LSm4
J.Biol.Chem., 280, 2005
5WZZ
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BU of 5wzz by Molmil
The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation
分子名称: Axin-1, E3 ubiquitin-protein ligase SIAH1, ZINC ION
著者Ji, L, Jiang, B, Jiang, X, Charlat, O, Chen, A, Mickanin, C, Bauer, A, Xu, W, Yan, X.-X, Cong, F.
登録日2017-01-19
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献The SIAH E3 ubiquitin ligases promote Wnt/ beta-catenin signaling through mediating Wnt-induced Axin degradation
Genes Dev., 31, 2017
4XYC
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BU of 4xyc by Molmil
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES
分子名称: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1
著者Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E.
登録日2015-02-02
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25, 2015
2BQW
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BU of 2bqw by Molmil
CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45
分子名称: 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-28
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BOH
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BU of 2boh by Molmil
Crystal structure of factor Xa in complex with compound "1"
分子名称: 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-11
公開日2006-04-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQ7
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BU of 2bq7 by Molmil
Crystal structure of factor Xa in complex with 43
分子名称: CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ...
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-27
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2BQ6
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BU of 2bq6 by Molmil
Crystal structure of factor Xa in complex with 21
分子名称: 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
著者Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V.
登録日2005-04-27
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
2YBA
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BU of 2yba by Molmil
Crystal structure of Nurf55 in complex with histone H3
分子名称: HISTONE H3, PROBABLE HISTONE-BINDING PROTEIN CAF1
著者Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
登録日2011-03-02
公開日2011-05-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks
Mol.Cell, 42, 2011
2YB8
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BU of 2yb8 by Molmil
Crystal structure of Nurf55 in complex with Su(z)12
分子名称: POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION
著者Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
登録日2011-03-02
公開日2011-05-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks.
Mol.Cell, 42, 2011
4A7I
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BU of 4a7i by Molmil
Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor
分子名称: 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ...
著者Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V.
登録日2011-11-14
公開日2012-02-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
5DM6
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BU of 5dm6 by Molmil
Crystal structure of the 50S ribosomal subunit from Deinococcus radiodurans
分子名称: 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
著者Kaminishi, T, Schedlbauer, A, Ochoa-Lizarralde, B, Connell, S.R, Fucini, P.
登録日2015-09-08
公開日2015-11-11
最終更新日2016-02-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystallographic characterization of the ribosomal binding site and molecular mechanism of action of Hygromycin A.
Nucleic Acids Res., 43, 2015
5DM7
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BU of 5dm7 by Molmil
Crystal structure of the 50S ribosomal subunit from Deinococcus radiodurans in complex with hygromycin A
分子名称: 23S ribosomal RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
著者Kaminishi, T, Schedlbauer, A, Ochoa-Lizarralde, B, Connell, S.R, Fucini, P.
登録日2015-09-08
公開日2015-11-11
最終更新日2015-11-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic characterization of the ribosomal binding site and molecular mechanism of action of Hygromycin A.
Nucleic Acids Res., 43, 2015
5NO3
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BU of 5no3 by Molmil
RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate without uS3)
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R.
登録日2017-04-10
公開日2017-05-31
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (5.16 Å)
主引用文献RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
5NO4
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BU of 5no4 by Molmil
RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate with uS3)
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R.
登録日2017-04-10
公開日2017-05-31
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (5.16 Å)
主引用文献RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
5NO2
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BU of 5no2 by Molmil
RsgA-GDPNP bound to the 30S ribosomal subunit (RsgA assembly intermediate)
分子名称: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Lopez-Alonso, J.P, Kaminishi, T, Kikuchi, T, Hirata, Y, Iturrioz, I, Dhimole, N, Schedlbauer, A, Hase, Y, Goto, S, Kurita, D, Muto, A, Zhou, S, Naoe, C, Mills, D.J, Gil-Carton, D, Takemoto, C, Himeno, H, Fucini, P, Connell, S.R.
登録日2017-04-10
公開日2017-05-24
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (5.16 Å)
主引用文献RsgA couples the maturation state of the 30S ribosomal decoding center to activation of its GTPase pocket.
Nucleic Acids Res., 45, 2017
6MRR
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BU of 6mrr by Molmil
De novo designed protein Foldit1
分子名称: Foldit1
著者Koepnick, B, Bick, M.J, Estep, R.D, Kleinfelter, S, Wei, L, Baker, D.
登録日2018-10-15
公開日2019-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献De novo protein design by citizen scientists.
Nature, 570, 2019
6MSP
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BU of 6msp by Molmil
De novo Designed Protein Foldit3
分子名称: De novo Designed Protein Foldit3
著者Liu, G, Ishida, Y, Swapna, G.V.T, Kleinfelter, S, Koepnick, B, Baker, D, Montelione, G.T.
登録日2018-10-17
公開日2019-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献De novo protein design by citizen scientists.
Nature, 570, 2019
6MRS
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BU of 6mrs by Molmil
De novo designed protein Peak6
分子名称: Peak6, SULFATE ION
著者Koepnick, B, Boykov, A, Baker, D.
登録日2018-10-15
公開日2019-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.541 Å)
主引用文献De novo protein design by citizen scientists.
Nature, 570, 2019
6NUK
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BU of 6nuk by Molmil
De novo designed protein Ferredog-Diesel
分子名称: Ferredog-Diesel
著者Koepnick, B, Bick, M.J, DiMaio, F, Norgard-Solano, T, Baker, D.
登録日2019-02-01
公開日2019-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献De novo protein design by citizen scientists.
Nature, 570, 2019
5AH2
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BU of 5ah2 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.129 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AGU
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BU of 5agu by Molmil
The sliding clamp of Mycobacterium tuberculosis in complex with a natural product.
分子名称: (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA POLYMERASE III SUBUNIT BETA, ...
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-03
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
分子名称: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
著者Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
登録日2015-02-04
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.313 Å)
主引用文献Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015

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