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4OW5
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BU of 4ow5 by Molmil
Structural basis for the enhancement of virulence by entomopoxvirus fusolin and its in vivo crystallization into viral spindles
分子名称: 1,2-ETHANEDIOL, Fusolin
著者Hijnen, M, Boudes, M, Aizel, K, Coulibaly, F.
登録日2014-01-31
公開日2015-03-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization.
Proc.Natl.Acad.Sci.USA, 112, 2015
8RTK
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BU of 8rtk by Molmil
X-ray structure of lysozyme obtained upon reaction with [VIVO(8-HQ)2] in sodium formate
分子名称: 2-$l^{1}-oxidanyl-2,2'-spirobi[3-oxa-1$l^{4}-aza-2$l^{7}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene] 2-oxide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, ...
著者Paolillo, M, Ferraro, G, Merlino, A.
登録日2024-01-26
公開日2025-02-12
最終更新日2025-07-16
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Protein-Protein Stabilization in V IV O/8-Hydroxyquinoline-Lysozyme Adducts.
Chemistry, 30, 2024
4R5Y
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BU of 4r5y by Molmil
The complex structure of Braf V600E kinase domain with a novel Braf inhibitor
分子名称: 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf
著者Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M.
登録日2014-08-22
公開日2016-02-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers.
Mol.Cancer Ther., 14, 2015
9KY3
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BU of 9ky3 by Molmil
Crystal structure of E. coli tryptophanyl-tRNA synthetase complexed with 3-demethylchuangxinmycin and tryptophanyl-5'-AMP
分子名称: (6~{R})-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),3,8(12),9-tetraene-6-carboxylic acid, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者Ren, Y, Wang, S, Liu, W, Fang, P.
登録日2024-12-07
公開日2025-07-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanistic insights into the ATP-mediated and species-dependent inhibition of TrpRS by chuangxinmycin.
Rsc Chem Biol, 6, 2025
9KY9
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BU of 9ky9 by Molmil
Crystal structure of E. coli tryptophanyl-tRNA synthetase complexed with 3-methylchuangxinmycin and tryptophanyl-5'-AMP
分子名称: (6~{R})-5,5-dimethyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者Ren, Y, Wang, S, Liu, W, Fang, P.
登録日2024-12-08
公開日2025-07-23
最終更新日2025-09-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Mechanistic insights into the ATP-mediated and species-dependent inhibition of TrpRS by chuangxinmycin.
Rsc Chem Biol, 6, 2025
1LMM
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BU of 1lmm by Molmil
Solution Structure of Psmalmotoxin 1, the First Characterized Specific Blocker of ASIC1a NA+ channel
分子名称: Psalmotoxin 1
著者Escoubas, P, Bernard, C, Lazdunski, M, Darbon, H.
登録日2002-05-02
公開日2003-11-25
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Recombinant production and solution structure of PcTx1, the specific peptide inhibitor of ASIC1a proton-gated cation channels
Protein Sci., 12, 2003
6XPB
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BU of 6xpb by Molmil
Structure of human GGT1 in complex with 2-amino-4-(((1-((carboxymethyl)amino)-1-oxobutan-2-yl)oxy)(phenoxy)phosphoryl)butanoic acid (ACPB) molecule
分子名称: 2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Terzyan, S.S, Hanigan, M.H.
登録日2020-07-08
公開日2020-11-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
7LP5
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BU of 7lp5 by Molmil
Structure of Nedd4L WW3 domain
分子名称: Angiomotin,E3 ubiquitin-protein ligase NEDD4-like
著者Alam, S.L, Alian, A, Thompson, T, Rheinemann, L, Volkman, B.F, Peterson, F.C, Sundquist, W.I.
登録日2021-02-11
公開日2021-07-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interactions between AMOT PPxY motifs and NEDD4L WW domains function in HIV-1 release.
J.Biol.Chem., 297, 2021
163L
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BU of 163l by Molmil
CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Blaber, M, Matthews, B.W.
登録日1994-06-20
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alanine scanning mutagenesis of the alpha-helix 115-123 of phage T4 lysozyme: effects on structure, stability and the binding of solvent.
J.Mol.Biol., 246, 1995
6H39
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BU of 6h39 by Molmil
Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Groll, M, Hansen, F.K.
登録日2018-07-17
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018
9KXR
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BU of 9kxr by Molmil
Crystal structure of E. coli tryptophanyl-tRNA synthetase complexed with chuangxinmycin and tryptophanyl-5'-AMP
分子名称: (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者Ren, Y, Wang, S, Liu, W, Fang, P.
登録日2024-12-07
公開日2025-07-23
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Mechanistic insights into the ATP-mediated and species-dependent inhibition of TrpRS by chuangxinmycin.
Rsc Chem Biol, 6, 2025
4DXW
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BU of 4dxw by Molmil
Crystal structure of NavRh, a voltage-gated sodium channel
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ...
著者Zhang, X, Ren, W.L, Yan, C.Y, Wang, J.W, Yan, N.
登録日2012-02-28
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.052 Å)
主引用文献Crystal structure of an orthologue of the NaChBac voltage-gated sodium channel
Nature, 486, 2012
7M4Q
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BU of 7m4q by Molmil
Multidrug Efflux pump AdeJ
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Efflux pump membrane transporter
著者Zhang, Z.
登録日2021-03-22
公開日2021-05-19
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Cryo-EM Determination of Eravacycline-Bound Structures of the Ribosome and the Multidrug Efflux Pump AdeJ of Acinetobacter baumannii.
Mbio, 12, 2021
5TAR
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BU of 5tar by Molmil
Crystal structure of farnesylated and methylated kras4b in complex with PDE-delta (crystal form II - with ordered hypervariable region)
分子名称: 1,2-ETHANEDIOL, FARNESYL, GTPase KRas, ...
著者Dharmaiah, S, Tran, T.H, Simanshu, D.K.
登録日2016-09-10
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of recognition of farnesylated and methylated KRAS4b by PDE delta.
Proc.Natl.Acad.Sci.USA, 113, 2016
6TTM
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BU of 6ttm by Molmil
Hyoscyamine 6-hydroxylase in complex with N-oxalylglycine and hyoscyamine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hyoscyamine 6 beta-hydroxylase, ...
著者Kluza, A, Kurpiewska, K, Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
登録日2019-12-29
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Regioselectivity of hyoscyamine 6 beta-hydroxylase-catalysed hydroxylation as revealed by high-resolution structural information and QM/MM calculations.
Dalton Trans, 49, 2020
4RED
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BU of 4red by Molmil
Crystal structure of human AMPK alpha1 KD-AID with K43A mutation
分子名称: 5'-AMP-activated protein kinase catalytic subunit alpha-1
著者Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K.
登録日2014-09-22
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
4REN
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BU of 4ren by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with petunidin
分子名称: 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium, GLYCEROL, UDP-glucose:anthocyanidin 3-O-glucosyltransferase
著者Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
登録日2014-09-23
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
7Z9G
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BU of 7z9g by Molmil
E.coli gyrase holocomplex with 217 bp DNA and Albi-2
分子名称: 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ...
著者Ghilarov, D, Heddle, J.G.H.
登録日2022-03-21
公開日2023-02-15
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin.
Nat Catal, 6, 2023
155L
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BU of 155l by Molmil
CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Blaber, M, Matthews, B.W.
登録日1994-06-20
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Alanine scanning mutagenesis of the alpha-helix 115-123 of phage T4 lysozyme: effects on structure, stability and the binding of solvent.
J.Mol.Biol., 246, 1995
7AFZ
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BU of 7afz by Molmil
L1 metallo-b-lactamase with compound EBL-1306
分子名称: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J, Brem, J.
登録日2020-09-21
公開日2021-10-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
164L
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BU of 164l by Molmil
CONTROL OF ENZYME ACTIVITY BY AN ENGINEERED DISULFIDE BOND
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Blaber, M, Matthews, B.W.
登録日1994-06-20
公開日1994-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alanine scanning mutagenesis of the alpha-helix 115-123 of phage T4 lysozyme: effects on structure, stability and the binding of solvent.
J.Mol.Biol., 246, 1995
6F6L
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BU of 6f6l by Molmil
R2-like ligand-binding oxidase Y162F mutant with aerobically reconstituted Mn/Fe cofactor
分子名称: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
著者Griese, J.J, Hogbom, M.
登録日2017-12-05
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019
4R00
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BU of 4r00 by Molmil
yCP beta5-C52F mutant in complex with Omuralide
分子名称: CHLORIDE ION, MAGNESIUM ION, Omuralide, ...
著者Huber, E.M, Heinemeyer, W, Groll, M.
登録日2014-07-29
公開日2015-02-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Structure, 23, 2015
4QQS
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BU of 4qqs by Molmil
Crystal structure of a thermostable family-43 glycoside hydrolase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycoside hydrolase family 43, SODIUM ION
著者Hassan, N, Kori, L.D, Patel, B.K.C, Divne, C, Tan, T.C.
登録日2014-06-29
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-resolution crystal structure of a polyextreme GH43 glycosidase from Halothermothrix orenii with alpha-L-arabinofuranosidase activity.
Acta Crystallogr F Struct Biol Commun, 71, 2015
8S6G
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BU of 8s6g by Molmil
Carbohydrate active oxidoreductase from Alternaria alternata
分子名称: 1,2-ETHANEDIOL, 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Banerjee, S, Turella, S, Morth, J.P, Abou Hachem, M.
登録日2024-02-27
公開日2025-03-12
最終更新日2025-05-14
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Enzymatic oxidation of galacturonides from pectin breakdown contributes to stealth infection by Oomycota phytopathogens.
Nat Commun, 16, 2025

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