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6UBV
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BU of 6ubv by Molmil
The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, N-(3,4-dihydroxyphenyl)-N'-[2-(3,4-dihydroxyphenyl)ethyl]urea, ...
著者Schormann, N, Deivanayagam, C.
登録日2019-09-13
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of the Streptococcus gordonii surface protein SspB in complex with TEV peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin
To Be Published
8D8C
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BU of 8d8c by Molmil
Crystal structure of hen egg white lysozyme at 300 Kelvin
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-08
公開日2023-05-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
7U1N
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BU of 7u1n by Molmil
Crystal structure of the Anopheles darlingi AD-118 long form D7 salivary protein
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-ETHOXYETHANOL, ...
著者Alvarenga, P.H, Gittis, A.G, Garboczi, D.N, Andersen, J.F.
登録日2022-02-21
公開日2022-05-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes.
Insect Biochem.Mol.Biol., 146, 2022
6WIF
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BU of 6wif by Molmil
Class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ...
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-09
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
To Be Published
8D5S
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BU of 8d5s by Molmil
Crystal structure of hen egg white lysozyme at 100 Kelvin
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-06
公開日2023-05-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8D7S
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BU of 8d7s by Molmil
Crystal structure of hen egg white lysozyme at 275 Kelvin
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-07
公開日2023-05-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8D8B
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BU of 8d8b by Molmil
Crystal structure of hen egg white lysozyme at 275 Kelvin (Triplicate)
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Ribeiro, F.S, Lima, L.M.T.R.
登録日2022-06-08
公開日2023-05-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Linking B-factor and temperature-induced conformational transition.
Biophys.Chem., 298, 2023
8KI6
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BU of 8ki6 by Molmil
Structure of tomato spotted wilt virus L protein binding to Ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, RNA-directed RNA polymerase L
著者Cao, L, Wang, X.
登録日2023-08-23
公開日2024-09-25
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for the activation of plant bunyavirus replication machinery and its dual-targeted inhibition by ribavirin.
Nat.Plants, 11, 2025
6UEE
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BU of 6uee by Molmil
Pseudomonas aeruginosa LpxA Complex Structure with Ligand
分子名称: 4-(naphthalen-1-yl)-4-oxobutanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, GLYCEROL
著者Chen, Y, Kroeck, K, Sacco, M.
登録日2019-09-20
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
8YZP
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BU of 8yzp by Molmil
Tribolium castaneum ABCH-9C in complex with ceramide(d36:1)
分子名称: (~{E})-~{N}-[(2~{S},3~{R})-1,3-bis(oxidanyl)octadecan-2-yl]octadec-9-enamide, ABC transporter G family member 23-like Protein, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-[(5~{Z},8~{Z},11~{E},14~{E},17~{Z})-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] octadecanoate
著者Yang, Q, Chen, J, Zhou, Y.
登録日2024-04-08
公開日2025-04-16
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural basis of ceramide transportation and its regulation by ABCH transporter
To Be Published
6WDV
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BU of 6wdv by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Dimethylaminomethylindole Phenylhydroxamate Inhibitor
分子名称: 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-04-01
公開日2020-07-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
8SI4
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BU of 8si4 by Molmil
Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in open state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8Z01
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Tribolium castaneum ABCH-9C(E224Q) mutant in complex with LMNG and ceramide(d36:1)
分子名称: (~{E})-~{N}-[(2~{S},3~{R})-1,3-bis(oxidanyl)octadecan-2-yl]octadec-9-enamide, ABC transporter G family member 23-like Protein, Lauryl Maltose Neopentyl Glycol, ...
著者Yang, Q, Chen, J, Zhou, Y.
登録日2024-04-08
公開日2025-04-16
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural basis of ceramide transportation and its regulation by ABCH transporter
To Be Published
7U25
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BU of 7u25 by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in complex with bispyribac-sodium
分子名称: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
著者Guddat, L.W, Cheng, Y.
登録日2022-02-23
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
8SI7
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Cryo-EM structure of TRPM7 in GDN detergent in complex with inhibitor VER155008 in closed state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8I9T
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BU of 8i9t by Molmil
Cryo-EM structure of a Chaetomium thermophilum pre-60S ribosomal subunit - State Dbp10-1
分子名称: 60S ribosomal protein L12-like protein, 60S ribosomal protein L13, 60S ribosomal protein L14-like protein, ...
著者Lau, B, Huang, Z, Beckmann, R, Hurt, E, Cheng, J.
登録日2023-02-07
公開日2023-05-17
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Mechanism of 5S RNP recruitment and helicase-surveilled rRNA maturation during pre-60S biogenesis.
Embo Rep., 24, 2023
8SI3
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BU of 8si3 by Molmil
Cryo-EM structure of TRPM7 in GDN detergent in apo state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8UAV
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BU of 8uav by Molmil
Cryo-EM Structure of Brucella Abortus Lumazine Synthase (BLS) Engineered with Shiga Toxin I subunit B (Stx1B)
分子名称: Shiga toxin subunit B,6,7-dimethyl-8-ribityllumazine synthase 2
著者Cristofalo, A.E, Sharma, A, Cerutti, M.L, Sharma, K, Zylberman, V, Goldbaum, F.A, Borgnia, M.J, Otero, L.H.
登録日2023-09-22
公開日2025-03-26
最終更新日2025-10-08
実験手法ELECTRON MICROSCOPY (2.37 Å)
主引用文献Cryo-EM structures of engineered Shiga toxin-based immunogens capable of eliciting neutralizing antibodies with therapeutic potential against hemolytic uremic syndrome.
Protein Sci., 34, 2025
8Z00
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BU of 8z00 by Molmil
Tribolium castaneum ABCH-9C in complex with LMNG and ceramide(d36:1)
分子名称: (~{E})-~{N}-[(2~{S},3~{R})-1,3-bis(oxidanyl)octadecan-2-yl]octadec-9-enamide, ABC transporter G family member 23-like Protein, Lauryl Maltose Neopentyl Glycol, ...
著者Yang, Q, Chen, J, Zhou, Y.
登録日2024-04-08
公開日2025-04-16
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structural basis of ceramide transportation and its regulation by ABCH transporter
To Be Published
8D9Y
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BU of 8d9y by Molmil
Crystal structure of Taipan alpha-neurotoxin in complex with Centi-LNX-D09 antibody
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Centi-LNX-D09 Fab heavy chain, ...
著者Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D.
登録日2022-06-12
公開日2023-06-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
7QQ1
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BU of 7qq1 by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with HEWL
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme, Rhodium, ...
著者Loreto, D, Merlino, A.
登録日2022-01-05
公開日2022-03-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
5NND
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BU of 5nnd by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H3
著者Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C.
登録日2017-04-08
公開日2018-05-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.
Mol. Cell, 73, 2019
7Q8Y
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Crystal structure of TTBK2 in complex with VNG2.73 (compound 42)
分子名称: PHOSPHATE ION, Tau-tubulin kinase 2, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-11-11
公開日2022-03-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
5YRA
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BU of 5yra by Molmil
Crystal Structure of Cypovirus Polyhedra R13A/S193C/A194C Mutant
分子名称: 1,2-ETHANEDIOL, Polyhedrin
著者Negishi, H, Abe, S, Yamashita, K, Hirata, K, Niwase, K, Boudes, M, Coulibaly, F, Mori, H, Ueno, T.
登録日2017-11-09
公開日2018-02-21
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Supramolecular protein cages constructed from a crystalline protein matrix
Chem. Commun. (Camb.), 54, 2018
5NQC
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BU of 5nqc by Molmil
CK2alpha in complex with NMR154
分子名称: (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one, CHLORIDE ION, Casein kinase II subunit alpha
著者Seetoh, W.-G, Stubbs, C.J.
登録日2017-04-19
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Disrupting the CK2alpha-CK2beta protein-protein interaction within the protein kinase CK2 heterotetramer using a fragment-based approach
To Be Published

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