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3A4P
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BU of 3a4p by Molmil
human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor
分子名称: (2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide, CHLORIDE ION, Hepatocyte growth factor receptor, ...
著者Fukami, T.A, Kadono, S, Yamamuro, M, Matsuura, T.
登録日2009-07-13
公開日2010-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
7Q3V
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BU of 7q3v by Molmil
Re-refined structure of a type III antifreeze protein isoform HPLC 12
分子名称: Type-3 ice-structuring protein HPLC 12
著者Mikhailovskii, O, Xue, Y, Jia, Z, Skrynnikov, N.R.
登録日2021-10-28
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Modeling a unit cell: crystallographic refinement procedure using the biomolecular MD simulation platform Amber.
Iucrj, 9, 2022
7ZIE
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BU of 7zie by Molmil
Gcf1p, multimerizes and bridges the mitochondrial DNA from Candida albicans by a specific mechanism.
分子名称: 20-mer DNA, GLYCEROL, Gcf1p
著者Tarres-Sole, A, Sola, M.
登録日2022-04-07
公開日2023-06-14
最終更新日2024-06-19
実験手法SOLUTION SCATTERING (2.9 Å), X-RAY DIFFRACTION
主引用文献Gcf1p tetramerizes upon DNA binding, revealing a novel compaction method for mitochondrial DNA in Candida albicans.
Nucleic Acids Res., 2023
8E0G
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BU of 8e0g by Molmil
Re-refined model of active mu-opioid receptor (PDB 5c1m) as an adduct with BU72
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, HEXAETHYLENE GLYCOL, ...
著者Munro, T.A.
登録日2022-08-09
公開日2023-10-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reanalysis of a mu opioid receptor crystal structure reveals a covalent adduct with BU72.
Bmc Biol., 21, 2023
9IYK
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BU of 9iyk by Molmil
Crystal structure of hSOD1 in C121 space group
分子名称: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
著者Yapici, I, DeMirci, H.
登録日2024-07-30
公開日2024-08-14
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural Insights into the Dynamics of Water in SOD1 Catalysis and Drug Interactions.
Int J Mol Sci, 26, 2025
5DOW
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BU of 5dow by Molmil
Solution of the Variably-Twinned Structure of a Novel Calmodulin-Peptide Complex in a Novel Configuration
分子名称: CALCIUM ION, CHLORIDE ION, Calmodulin, ...
著者Keller, J.P.
登録日2015-09-11
公開日2016-08-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Solution of the structure of a calmodulin-peptide complex in a novel configuration from a variably twinned data set.
Acta Crystallogr D Struct Biol, 73, 2017
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
分子名称: Choline trimethylamine-lyase, difluorocholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CutC choline lyase in complex with difluorocholine
To Be Published
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
分子名称: Choline trimethylamine-lyase, cyclopropylcholine
著者Kalnins, G.
登録日2024-04-26
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CutC choline lyase in complex with fluoromethylcholine
To Be Published
8A8L
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BU of 8a8l by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
分子名称: 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ...
著者Snee, M, Katariya, M, Levy, C.
登録日2022-06-23
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
8A6W
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BU of 8a6w by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase
著者Snee, M, Amadi, C, Levy, C.
登録日2022-06-20
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with cholestenone
To Be Published
8A9P
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BU of 8a9p by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
分子名称: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-06-29
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
To Be Published
6ZFW
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BU of 6zfw by Molmil
X-ray structure of the soluble N-terminal domain of T. cruzi PEX-14
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ...
著者Softley, C.A, Ostertag, M.O, Sattler, M, Popowicz, G.P.
登録日2020-06-18
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Deep learning model predicts water interaction sites on the surface of proteins using limited-resolution data.
Chem.Commun.(Camb.), 56, 2020
6ZK0
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BU of 6zk0 by Molmil
1.47A human IMPase with ebselen
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ...
著者Bax, B.D, Fenn, G.D.
登録日2020-06-29
公開日2020-09-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase.
Acta Crystallogr.,Sect.F, 76, 2020
7XQ3
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BU of 7xq3 by Molmil
Crystal structure of the tetramer of thioredoxin domain containing-protein of Oncomelania hupensis(OhTRP14)
分子名称: Thioredoxin domain-containing protein 17
著者Wang, S.Q, Huang, S.Q.
登録日2022-05-06
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
7XPW
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BU of 7xpw by Molmil
Structure of OhTRP14
分子名称: Thioredoxin domain-containing protein 17
著者Wang, S.Q, Huang, S.Q.
登録日2022-05-05
公開日2022-10-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural insights into the redox regulation of Oncomelania hupensis TRP14 and its potential role in the snail host response to parasite invasion.
Fish Shellfish Immunol., 128, 2022
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
分子名称: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
8F8O
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BU of 8f8o by Molmil
Crystal Structure of the Succinyl-diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii in complex with Succinic and L-Lactic Acids
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, CITRIC ACID, SUCCINIC ACID, ...
著者Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Pshenychnyi, S, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-11-22
公開日2022-11-30
最終更新日2025-09-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and Structural Analysis of the Bacterial Enzyme Succinyl-Diaminopimelate Desuccinylase (DapE) from Acinetobacter baumannii.
Acs Omega, 9, 2024
9JUR
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BU of 9jur by Molmil
Crystal Structure of NHL domain of human E3 ubiquitin-protein ligase TRIM71
分子名称: E3 ubiquitin-protein ligase TRIM71, MAGNESIUM ION
著者Lv, M.Q, Kazy, E.H.
登録日2024-10-08
公開日2025-04-30
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Human tripartite motif-containing protein 71 NCL-1/HT2A/LIN-41 domain crystal structure and its potential natural inhibitors.
Int.J.Biol.Macromol., 309, 2025
9JS5
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BU of 9js5 by Molmil
Crystal structure of the ASFV-derived histone-like protein pA104R
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Viral histone-like protein
著者Li, Q, Shao, H, Yi, D, Cen, S.
登録日2024-09-30
公開日2025-04-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Thonningianin A disrupts pA104R-DNA binding and inhibits African swine fever virus replication.
Emerg Microbes Infect, 14, 2025
8UEL
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BU of 8uel by Molmil
Crystal structure of enolase from Litopenaeus vannamei
分子名称: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ...
著者Chang, X, Zhao, G.
登録日2023-10-01
公開日2023-12-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Characterization and Structural Analyses of Enolase from Shrimp ( Litopenaeus vannamei ).
J.Agric.Food Chem., 71, 2023
6MV1
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BU of 6mv1 by Molmil
2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form)
分子名称: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
登録日2018-10-24
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
6MV2
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BU of 6mv2 by Molmil
2.05A resolution structure of the CS-b5R domains of human Ncb5or (NADP+ form)
分子名称: Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H.
登録日2018-10-24
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
7VUM
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BU of 7vum by Molmil
Crystal structure of SSB complexed with que
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Single-stranded DNA-binding protein
著者Lin, E.S, Huang, Y.H, Huang, C.Y.
登録日2021-11-03
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.319 Å)
主引用文献A Complexed Crystal Structure of a Single-Stranded DNA-Binding Protein with Quercetin and the Structural Basis of Flavonol Inhibition Specificity.
Int J Mol Sci, 23, 2022
3F5E
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BU of 3f5e by Molmil
Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 2'F-3'SiaLacNAc1-3
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Garnett, J.A, Liu, Y, Feizi, T, Matthews, S.J.
登録日2008-11-03
公開日2009-07-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detailed insights from microarray and crystallographic studies into carbohydrate recognition by microneme protein 1 (MIC1) of Toxoplasma gondii.
Protein Sci., 18, 2009

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