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8FVE
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BU of 8fve by Molmil
E coli. CTP synthase in complex with CTP (potassium malonate + 100 mM MgCl2)
分子名称: CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Holyoak, T, McLeod, M.J, Tran, N.
登録日2023-01-18
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
7SJB
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BU of 7sjb by Molmil
Crystal structure of dehaloperoxidase B in complex with alpha-terpinene
分子名称: 1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene, Dehaloperoxidase B, GLYCEROL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.718 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
8FVC
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BU of 8fvc by Molmil
E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 5 mM MgCl2)
分子名称: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MALONIC ACID
著者Holyoak, T, McLeod, M.J, Tran, N.
登録日2023-01-18
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
7SJE
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BU of 7sje by Molmil
Crystal structure of dehaloperoxidase B in complex with p-cymene
分子名称: 1-methyl-4-(1-methylethyl)benzene, Dehaloperoxidase B, OXYGEN MOLECULE, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-16
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-17
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-18
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7SJD
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BU of 7sjd by Molmil
Crystal structure of dehaloperoxidase B in complex with terpinolene
分子名称: 1-methyl-4-(propan-2-ylidene)cyclohex-1-ene, Dehaloperoxidase B, GLYCEROL, ...
著者Ghiladi, R.A, de Serrano, V.S, Yun, D, Malewschik, T.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
8FVD
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BU of 8fvd by Molmil
E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 100 mM MgCl2)
分子名称: 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MAGNESIUM ION, ...
著者Holyoak, T, McLeod, M.J, Tran, N.
登録日2023-01-18
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate.
Protein Sci., 32, 2023
7SJI
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BU of 7sji by Molmil
Crystal structure of dehaloperoxidase B in complex with R-(+)-limonene
分子名称: (4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene, Dehaloperoxidase B, GLYCEROL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
7SJC
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BU of 7sjc by Molmil
Crystal structure of dehaloperoxidase B in complex with gamma-terpinene
分子名称: 1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene, Dehaloperoxidase B, GLYCEROL, ...
著者Malewschik, T, Yun, D, de Serrano, V.S, Ghiladi, R.A.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
7SJG
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BU of 7sjg by Molmil
Structure of Dehaloperoxidase B in Complex with Thymoquinone
分子名称: (6R)-4-hydroxy-6-methyl-3-(propan-2-yl)cyclohexa-2,4-dien-1-one, 2-methyl-5-(propan-2-yl)benzene-1,4-diol, Dehaloperoxidase B, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
7SJF
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BU of 7sjf by Molmil
Structure of Dehaloperoxidase B in Complex with Thymol
分子名称: 5-METHYL-2-(1-METHYLETHYL)PHENOL, Dehaloperoxidase B, GLYCEROL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
6UWL
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BU of 6uwl by Molmil
GltPh in complex with L-aspartate and sodium ions in intermediate outward-facing state
分子名称: ASPARTIC ACID, Glutamate transporter homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Wang, X, Boudker, O.
登録日2019-11-05
公開日2020-04-22
最終更新日2020-11-18
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Use of paramagnetic 19 F NMR to monitor domain movement in a glutamate transporter homolog.
Nat.Chem.Biol., 16, 2020
7SJH
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BU of 7sjh by Molmil
Crystal structure of dehaloperoxidase B in complex with S-(-)-limonene
分子名称: (4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene, Dehaloperoxidase B, GLYCEROL, ...
著者Ghiladi, R.A, de Serrano, V.S, Malewschik, T, Yun, D.
登録日2021-10-17
公開日2022-11-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The Multifunctional Globin Dehaloperoxidase as a Biocatalyst in the Oxidation of Monoterpenes
To Be Published
6VAH
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BU of 6vah by Molmil
Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
分子名称: 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Dong, A, Li, Y, Melin, L, Gagnon, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V, Structural Genomics Consortium (SGC)
登録日2019-12-17
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
to be published
8FAE
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BU of 8fae by Molmil
Asymmetric structure of cleaved HIV-1 AE2 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles (AE2.1)
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, K, Zhang, S, Sodroski, J, Mao, Y.
登録日2022-11-26
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles.
Commun Biol, 6, 2023
8FAD
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BU of 8fad by Molmil
Asymmetric structure of cleaved HIV-1 AD8 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles
分子名称: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, K, Zhang, S, Sodroski, J, Mao, Y.
登録日2022-11-26
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles.
Commun Biol, 6, 2023
8QMI
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BU of 8qmi by Molmil
Crystal structure of RNA G2C4 repeats - native model
分子名称: MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
著者Blaszczyk, L, Kiliszek, A.
登録日2023-09-22
公開日2024-05-01
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024
7SCU
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BU of 7scu by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7
分子名称: C-C motif chemokine 7, Evasin P1243
著者Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-29
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal Structure of Tick Evasin EVA-AAM1001 complexed to human chemokine CCL7
To Be Published
7SCV
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BU of 7scv by Molmil
Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL17
分子名称: C-C motif chemokine 17, Evasin P1243
著者Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J.
登録日2021-09-29
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
8FID
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BU of 8fid by Molmil
Crystal Structure of Erwinia tracheiphila CYP114 in complex with ent-kaurenoic acid (Crystal Form 2)
分子名称: (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FIB
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BU of 8fib by Molmil
Crystal Structure of Erwinia tracheiphila CYP114
分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Stewart Jr, C.E, Nagel, R.
登録日2022-12-16
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Dual factors required for cytochrome-P450-mediated hydrocarbon ring contraction in bacterial gibberellin phytohormone biosynthesis.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FIT
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BU of 8fit by Molmil
Multi-state design of two-state switchable hinge proteins
分子名称: cs074A
著者Bera, A.K, Praetorius, F, Baker, D.
登録日2022-12-16
公開日2023-08-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023
8QMH
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BU of 8qmh by Molmil
Crystal structure of RNA G2C4 repeats in complex with small synthetic molecule ANP77
分子名称: 3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide, CHLORIDE ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3')
著者Kiliszek, A, Ryczek, M, Blaszczyk, L.
登録日2023-09-22
公開日2024-05-01
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand.
Nucleic Acids Res., 52, 2024

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件を2024-08-28に公開中

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