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PDB形式変換不可の PDB エントリー
6TM4
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BU of 6tm4 by Molmil
NatL2 in complex with two molecules of salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Naismith, J.H, Song, H.
登録日2019-12-03
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6TMG
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BU of 6tmg by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, membrane region model
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATPTG1, ...
著者Muhleip, A, Kock Flygaard, R, Amunts, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TMJ
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BU of 6tmj by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, rotor-stator model
分子名称: ATP synthase subunit delta, ATP synthase subunit epsilon, ATP synthase subunit gamma, ...
著者Muhleip, A, Kock Flygaard, R, Amunts, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TMK
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BU of 6tmk by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, composite model
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
著者Muhleip, A, Kock Flygaard, R, Amunts, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TML
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BU of 6tml by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase hexamer, composite model
分子名称: ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ...
著者Muhleip, A, Kock Flygaard, R, Amunts, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TMM
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BU of 6tmm by Molmil
BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Chiarini, V, Ilari, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Biochim Biophys Acta Gen Subj, 1865, 2021
6TMP
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BU of 6tmp by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
分子名称: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ...
著者Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
登録日2019-12-05
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.076 Å)
主引用文献Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
6TMQ
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BU of 6tmq by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
分子名称: DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ...
著者Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
登録日2019-12-05
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
6TMZ
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BU of 6tmz by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
分子名称: MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ...
著者Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
登録日2019-12-05
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
6TN0
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BU of 6tn0 by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
分子名称: 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
登録日2019-12-05
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
6TN1
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BU of 6tn1 by Molmil
Unliganded Crystal Structure of Recombinant GBA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ...
著者Rowland, R.J, Davies, G.J.
登録日2019-12-05
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TN2
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BU of 6tn2 by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, ...
著者Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
登録日2019-12-05
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
6TN4
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BU of 6tn4 by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
分子名称: 2,4-bis(oxidanyl)benzamide, CHLORIDE ION, Heat shock protein HSP 90-alpha
著者Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
登録日2019-12-05
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.274 Å)
主引用文献Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
6TN5
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BU of 6tn5 by Molmil
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
分子名称: CHLORIDE ION, Heat shock protein HSP 90-alpha, ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide
著者Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E.
登録日2019-12-05
公開日2020-10-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.165 Å)
主引用文献Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
6TNL
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BU of 6tnl by Molmil
GSTF1 from Alopecurus myosuroides
分子名称: Glutathione transferase, SULFATE ION
著者Pohl, E, Eno, R.F.M, Freitag-Pohl, S, Edwards, R.
登録日2019-12-09
公開日2021-06-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献GSTF1 from Alopecurus myosuroides
To Be Published
6TNU
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BU of 6tnu by Molmil
Yeast 80S ribosome in complex with eIF5A and decoding A-site and P-site tRNAs.
分子名称: 18S rRNA, 25S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
著者Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R.
登録日2019-12-10
公開日2020-04-22
最終更新日2020-04-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The Ccr4-Not complex monitors the translating ribosome for codon optimality.
Science, 368, 2020
6TO3
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BU of 6to3 by Molmil
GSTF1 from Alopecurus myosuroides - covalently modified
分子名称: 4-chloro-7-nitrobenzofurazan, Glutathione transferase
著者Pohl, E, Eno, R.F.M, Freitag-Pohl, S.
登録日2019-12-11
公開日2021-08-18
最終更新日2022-08-31
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance.
Org.Biomol.Chem., 19, 2021
6TO5
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BU of 6to5 by Molmil
Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis.
分子名称: MAGNESIUM ION, Protein PHOSPHATE STARVATION RESPONSE 1
著者Hothorn, M.
登録日2019-12-11
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Inositol pyrophosphates promote the interaction of SPX domains with the coiled-coil motif of PHR transcription factors to regulate plant phosphate homeostasis.
Nat Commun, 12, 2021
6TO9
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BU of 6to9 by Molmil
Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis (crystal form 2)
分子名称: MAGNESIUM ION, Protein PHOSPHATE STARVATION RESPONSE 1
著者Hothorn, M.
登録日2019-12-11
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Inositol pyrophosphates promote the interaction of SPX domains with the coiled-coil motif of PHR transcription factors to regulate plant phosphate homeostasis.
Nat Commun, 12, 2021
6TOC
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BU of 6toc by Molmil
Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis (crystal form 3).
分子名称: Protein PHOSPHATE STARVATION RESPONSE 1
著者Hothorn, M.
登録日2019-12-11
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Inositol pyrophosphates promote the interaction of SPX domains with the coiled-coil motif of PHR transcription factors to regulate plant phosphate homeostasis.
Nat Commun, 12, 2021
6TOQ
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BU of 6toq by Molmil
Crystal structure of a PP2A B56y/HTLV-1 integrase complex
分子名称: Pol protein, Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform
著者Minnell, J.J, Barski, M.S, Maertens, G.N.
登録日2019-12-11
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.164 Å)
主引用文献Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
6TPX
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BU of 6tpx by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TPY
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BU of 6tpy by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TPZ
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BU of 6tpz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.299 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TQ1
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BU of 6tq1 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one, Bromodomain-containing protein 2, ...
著者Chung, C.
登録日2019-12-15
公開日2020-01-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020

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