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6R8G
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Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine
分子名称: 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M.
登録日2019-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Fragment-Based Approach Identifies an Allosteric Pocket that Impacts Malate Dehydrogenase Activity
Commun Biol, 2021
6N3X
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Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound 5'-O-[1-Benzyl]Carbamoyl Guanosine
分子名称: 1,2-ETHANEDIOL, 5'-O-(benzylcarbamoyl)guanosine, CHLORIDE ION, ...
著者Strom, A.M, Finzel, B.C.
登録日2018-11-16
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Inhibition of HINT1 Modulates Spinal Nociception and NMDA Evoked Behavior in Mice.
Acs Chem Neurosci, 10, 2019
5IYE
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Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 resolution
分子名称: DNA (5'-D(*CP*CP*CP*GP*GP*GP*TP*AP*CP*CP*CP*GP*GP*G)-3'), ZINC ION
著者Karthik, S, Thirugnanasambandam, A, Mandal, P.K, Gautham, N.
登録日2016-03-24
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Comparison of X-ray crystal structures of a tetradecamer sequence d(CCCGGGTACCCGGG)2 at 1.7 angstrom resolution.
Nucleosides Nucleotides Nucleic Acids, 36, 2017
8VJU
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BU of 8vju by Molmil
Structure of Human Neurolysin in complex with dynorphin A13 peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dynorphin A(1-13), ...
著者Shi, K, Aihara, H.
登録日2024-01-08
公開日2024-08-21
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis of divergent substrate recognition and inhibition of human neurolysin.
Sci Rep, 14, 2024
7RK5
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Mannitol-2-dehydrogenase bound to NADH from Aspergillus fumigatus
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Mannitol 2-dehydrogenase
著者Nguyen, S, Bruning, J.B.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting the Mannitol Biosynthesis Pathway in Aspergillus fumigatus: Characterisation and Inhibition of Mannitol-2-Dehydrogenase
To Be Published
5XIU
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BU of 5xiu by Molmil
Crystal structure of RNF168 UDM2 in complex with Lys63-linked diubiquitin
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF168, Ubiquitin-40S ribosomal protein S27a
著者Takahashi, T.S, Sato, Y, Fukai, S.
登録日2017-04-27
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
8OTL
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structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
分子名称: 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ...
著者Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L.
登録日2023-04-21
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023
5IE8
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The pyrazinoic acid binding domain of Ribosomal Protein S1 from Mycobacterium tuberculosis
分子名称: 30S ribosomal protein S1
著者Huang, B, Liao, X.
登録日2016-02-25
公開日2016-03-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献(1)H, (15)N, (13)C resonance assignments for pyrazinoic acid binding domain of ribosomal protein S1 from Mycobacterium tuberculosis
Biomol NMR Assign, 10, 2016
6O9O
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Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
分子名称: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
著者Elkins, P.A, Wang, L.
登録日2019-03-14
公開日2020-03-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.586 Å)
主引用文献Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors
To be published
8RNW
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Hen Egg White Lysozyme soaked with trans-Ru(DMSO)4Cl2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K.
登録日2024-01-11
公開日2024-01-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
6YVG
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BU of 6yvg by Molmil
Crystal structure of MesI (Lpg2505) from Legionella pneumophila
分子名称: 1,2-ETHANEDIOL, IODIDE ION, MesI (Lpg2505)
著者Machtens, D.A, Willerding, J.M, Eschenburg, S, Reubold, T.F.
登録日2020-04-28
公開日2020-06-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the metaeffector MesI (Lpg2505) from Legionella pneumophila.
Biochem.Biophys.Res.Commun., 527, 2020
8OG3
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BU of 8og3 by Molmil
E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ...
著者Day, M.A, White, S.A, Hyde, E.I, Searle, P.F.
登録日2023-03-17
公開日2023-04-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
6VPV
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BU of 6vpv by Molmil
Trimeric Photosystem I from the High-Light Tolerant Cyanobacteria Cyanobacterium Aponinum
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Dobson, Z, Toporik, H, Vaughn, N, Lin, S, Williams, D, Fromme, P, Mazor, Y.
登録日2020-02-04
公開日2021-08-04
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献The structure of photosystem I from a high-light tolerant Cyanobacteria.
Elife, 10, 2021
8RNX
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BU of 8rnx by Molmil
Hen Egg White Lysozyme soaked with [HIsq][trans-RuCl4(DMSO)(Isq)]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K.
登録日2024-01-11
公開日2024-01-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
5YB3
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BU of 5yb3 by Molmil
Crystal structure of HP23L/N36
分子名称: Envelope glycoprotein, HP23L
著者Zhang, X, Wang, X, He, Y.
登録日2017-09-03
公開日2018-02-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.043 Å)
主引用文献Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
8RNY
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BU of 8rny by Molmil
Hen Egg White Lysozyme soaked with with [H2Ind][trans-RuCl4(DMSO)(HInd)]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K.
登録日2024-01-11
公開日2024-02-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies.
Front Chem, 12, 2024
6O4L
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BU of 6o4l by Molmil
Structure of ALDH7A1 mutant E399D complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
6XLT
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BU of 6xlt by Molmil
The 1.48 Angstrom crystal structure of evolved galactose oxidase variant A3.E7
分子名称: ACETATE ION, CALCIUM ION, COPPER (II) ION, ...
著者Liu, A, Li, J.
登録日2020-06-29
公開日2021-02-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献Formation of Monofluorinated Radical Cofactor in Galactose Oxidase through Copper-Mediated C-F Bond Scission.
J.Am.Chem.Soc., 142, 2020
6IQM
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BU of 6iqm by Molmil
Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase Complexed with NAD+ from Lactobacillus plantarum
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glyceraldehyde-3-phosphate dehydrogenase, ...
著者Yoneda, K, Kinoshita, H.
登録日2018-11-08
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase from Lactobacillus plantarum: Insight into the Mercury Binding Mechanism
Milk Sci, 68, 2019
4XVD
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BU of 4xvd by Molmil
17beta-HSD5 in complex with 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol
分子名称: 4-nitro-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)phenol, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Amano, Y, Yamaguchi, T, Niimi, T, Sakashita, H.
登録日2015-01-27
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
8XKF
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Crystal structure of Helicobacter pylori IspDF with substrate CTP
分子名称: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
著者Chen, X, Wu, D.
登録日2023-12-23
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
7MGN
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BU of 7mgn by Molmil
Crystal structure of F501H/H506E variant of 2-ketopropyl coenzyme M oxidoreductase/carboxylase (2-KPCC) from Xanthobacter autotrophicus
分子名称: 1-THIOETHANESULFONIC ACID, 2-oxopropyl-CoM reductase, carboxylating, ...
著者Zadvornyy, O.A, Prussia, G, Peters, J.W.
登録日2021-04-12
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The unique Phe-His dyad of 2-ketopropyl coenzyme M oxidoreductase/carboxylase selectively promotes carboxylation and S-C bond cleavage.
J.Biol.Chem., 297, 2021
7MGO
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Crystal structure of F501H variant of 2-ketopropyl coenzyme M oxidoreductase/carboxylase (2-KPCC) from Xanthobacter autotrophicus
分子名称: 1-THIOETHANESULFONIC ACID, 2-oxopropyl-CoM reductase, carboxylating, ...
著者Prussia, G, Zadvornyy, O.A, Peters, J.W.
登録日2021-04-13
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The unique Phe-His dyad of 2-ketopropyl coenzyme M oxidoreductase/carboxylase selectively promotes carboxylation and S-C bond cleavage.
J.Biol.Chem., 297, 2021
4XVE
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17beta-HSD5 in complex with 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one
分子名称: 3-pentyl-2-[(pyridin-2-ylmethyl)sulfanyl]-7-(pyrrolidin-1-ylcarbonyl)quinazolin-4(3H)-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Amano, Y, Yamaguchi, T.
登録日2015-01-27
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding.
Acta Crystallogr.,Sect.D, 71, 2015
6C4V
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1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1350-1461) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis
分子名称: Polyketide synthase Pks13, ZINC ION
著者Minasov, G, Brunzelle, J.S, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-01-12
公開日2018-01-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1350-1461) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis.
To be Published

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