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6HLN
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BU of 6hln by Molmil
Crystal structure of human ACBD3 GOLD domain in complex with 3A protein of enterovirus-D68
分子名称: Genome polyprotein, Golgi resident protein GCP60
著者Klima, M, Boura, E.
登録日2018-09-11
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites.
Plos Pathog., 15, 2019
6NIT
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BU of 6nit by Molmil
Human Argonaute2-miR-122 bound to a target RNA with four central mismatches (bu4)
分子名称: Protein argonaute-2, RNA (5'-R(P*AP*AP*CP*AP*CP*CP*AP*UP*CP*CP*AP*AP*CP*AP*CP*UP*CP*CP*AP*AP*A)-3'), RNA (5'-R(P*UP*GP*GP*AP*GP*UP*GP*UP*GP*AP*CP*AP*AP*UP*GP*GP*UP*GP*UP*UP*U)-3')
著者Sheu-Gruttadauria, J, MacRae, I.J.
登録日2018-12-31
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural Basis for Target-Directed MicroRNA Degradation.
Mol.Cell, 75, 2019
6NIY
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BU of 6niy by Molmil
A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex
分子名称: Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M.
登録日2019-01-02
公開日2019-01-23
最終更新日2020-04-08
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献The Molecular Control of Calcitonin Receptor Signaling.
Acs Pharmacol Transl Sci, 2, 2019
6JPA
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BU of 6jpa by Molmil
Rabbit Cav1.1-Verapamil Complex
分子名称: (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Zhao, Y, Huang, G, Wu, J, Yan, N.
登録日2019-03-26
公開日2019-06-12
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel.
Cell, 177, 2019
3T1H
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BU of 3t1h by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA lysine 3 (tRNALys3) bound to an mRNA with an AAA-codon in the A-site and Paromomycin
分子名称: 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F.
登録日2011-07-21
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.
J.Mol.Biol., 416, 2012
6JRF
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BU of 6jrf by Molmil
Crystal structure of ZmMoc1-Holliday junction Complex in the presence of Calcium
分子名称: CALCIUM ION, DNA (33-MER), Monokaryotic chloroplast 1, ...
著者Lin, Z, Lin, H, Zhang, D, Yuan, C.
登録日2019-04-03
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.047 Å)
主引用文献Structural basis of sequence-specific Holliday junction cleavage by MOC1.
Nat.Chem.Biol., 15, 2019
6NCL
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BU of 6ncl by Molmil
Near-atomic structure of icosahedrally averaged PBCV-1 capsid
分子名称: Major capsid protein, P1, P10, ...
著者Fang, Q, Rossmann, M.G.
登録日2018-12-11
公開日2019-01-30
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Near-atomic structure of a giant virus.
Nat Commun, 10, 2019
6NIA
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BU of 6nia by Molmil
Pseudomonas fluorescens isocyanide hydratase at 100 K helical disorder model
分子名称: 1,2-ETHANEDIOL, Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
6LKY
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BU of 6lky by Molmil
Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
分子名称: ACETATE ION, ACETYL GROUP, CITRIC ACID, ...
著者Huang, S, Wang, P, Zhu, G.P.
登録日2019-12-21
公開日2020-12-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of isocitrate dehydrogenase from Methylococcus capsulatus
To Be Published
6LUM
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BU of 6lum by Molmil
Structure of Mycobacterium smegmatis succinate dehydrogenase 2
分子名称: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ...
著者Gao, Y, Gong, H, Zhou, X, Xiao, Y, Wang, W, Ji, W, Wang, Q, Rao, Z.
登録日2020-01-29
公開日2020-05-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF.
Nat Commun, 11, 2020
3RAD
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BU of 3rad by Molmil
Quinolone(Clinafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae
分子名称: 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*G)-3', ...
著者Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R.
登録日2011-03-28
公開日2012-04-25
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
6K58
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BU of 6k58 by Molmil
Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine
分子名称: (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ...
著者Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-05-28
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6JVC
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BU of 6jvc by Molmil
Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
分子名称: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
登録日2019-04-16
公開日2020-03-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
3R2F
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BU of 3r2f by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with BMS-693391 AKA (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-((2R,4R)-4-propoxy-2-pyrrolidinyl)ethyl)-4-phenylbutanamide
分子名称: (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1
著者Muckelbauer, J.K.
登録日2011-03-14
公開日2011-08-31
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Monosubstituted {gamma}-lactam and conformationally constrained 1,3-diaminopropan-2-ol transition-state isostere inhibitors of {beta}-secretase (BACE).
Bioorg.Med.Chem.Lett., 21, 2011
6M2W
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BU of 6m2w by Molmil
Structure of RyR1 (Ca2+/Caffeine/ATP/CaM1234/CHL)
分子名称: 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ...
著者Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z.
登録日2020-03-01
公開日2020-09-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
6LTH
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BU of 6lth by Molmil
Structure of human BAF Base module
分子名称: AT-rich interactive domain-containing protein 1A, SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1, ...
著者He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
登録日2020-01-22
公開日2020-02-12
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
6H52
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BU of 6h52 by Molmil
Crystal structure of human KDM5B in complex with compound 34g
分子名称: 1,2-ETHANEDIOL, 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6H1L
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BU of 6h1l by Molmil
Structure of the BM3 heme domain in complex with tioconazole
分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Bifunctional cytochrome P450/NADPH--P450 reductase, ...
著者Jeffreys, L.N, Munro, A.W.M, Leys, D.
登録日2018-07-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.968 Å)
主引用文献Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
6GZ5
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BU of 6gz5 by Molmil
tRNA translocation by the eukaryotic 80S ribosome and the impact of GTP hydrolysis, Translocation-intermediate-POST-3 (TI-POST-3)
分子名称: 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ...
著者Flis, J, Holm, M, Rundlet, E.J, Loerke, J, Hilal, T, Dabrowski, M, Buerger, J, Mielke, T, Blanchard, S.C, Spahn, C.M.T, Budkevich, T.V.
登録日2018-07-03
公開日2018-12-05
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献tRNA Translocation by the Eukaryotic 80S Ribosome and the Impact of GTP Hydrolysis.
Cell Rep, 25, 2018
6MFH
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BU of 6mfh by Molmil
Mutated Uronate Dehydrogenase
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Mutated Uronate Dehydrogenase, PHOSPHATE ION
著者Sankaran, B, Pereira, J.H, Chan, V, Zwart, P.H, Wagschal, K.
登録日2018-09-11
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Chromohalobacter salixigens uronate dehydrogenase: Directed evolution for improved thermal stability and mutant CsUDH-inc X-ray crystal structure
Process Biochem, 2020
6LRU
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BU of 6lru by Molmil
Marsupenaeus japonicus ferritin mutant (T158H)
分子名称: FE (III) ION, Ferritin, IMIDAZOLE, ...
著者Zhao, G, Tan, X, Zhang, T.
登録日2020-01-16
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking.
Commun Chem, 2020
6H1O
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BU of 6h1o by Molmil
Structure of the BM3 heme domain in complex with voriconazole
分子名称: 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Jeffreys, L.N, Munro, A.W.M, Leys, D.
登録日2018-07-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
6H51
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BU of 6h51 by Molmil
Crystal structure of human KDM5B in complex with compound 34f
分子名称: 1,2-ETHANEDIOL, 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ...
著者Le Bihan, Y.V, Velupillai, S, van Montfort, R.L.M.
登録日2018-07-23
公開日2019-06-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
6HW6
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BU of 6hw6 by Molmil
Yeast 20S proteasome in complex with 20
分子名称: MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
著者Huber, E.M, Groll, M.
登録日2018-10-11
公開日2019-01-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
3RE8
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BU of 3re8 by Molmil
Structural and Kinetic Analysis of the Beef liver Catalase interacting with Nitric Oxide
分子名称: Catalase, PROTOPORPHYRIN IX CONTAINING FE
著者Purwar, N, Schmidt, M.
登録日2011-04-03
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interaction of nitric oxide with catalase: structural and kinetic analysis.
Biochemistry, 50, 2011

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