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2ZG0
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BU of 2zg0 by Molmil
Exploring thrombin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide, Hirudin, SODIUM ION, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-01-16
公開日2009-01-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring thrombin S3 pocket
To be Published
3II9
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BU of 3ii9 by Molmil
Crystal structure of glutaryl-coa dehydrogenase from Burkholderia pseudomallei at 1.73 Angstrom
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Glutaryl-CoA dehydrogenase, ...
著者Ismagilov, R.F, Li, L, Du, W.B, Staker, B, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-07-31
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献User-loaded SlipChip for equipment-free multiplexed nanoliter-scale experiments.
J.Am.Chem.Soc., 132, 2010
7PVN
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BU of 7pvn by Molmil
Crystal Structure of Human UBA6 in Complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, CHLORIDE ION, ...
著者Truongvan, N, Li, S, Schindelin, H.
登録日2021-10-05
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structures of UBA6 explain its dual specificity for ubiquitin and FAT10.
Nat Commun, 13, 2022
2ZYF
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BU of 2zyf by Molmil
Crystal structure of homocitrate synthase from Thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, Homocitrate synthase, MAGNESIUM ION
著者Okada, T, Tomita, T, Kuzuyama, T, Nishiyama, M.
登録日2009-01-20
公開日2009-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mechanism of substrate recognition and insight into feedback inhibition of homocitrate synthase from thermus thermophilus
J.Biol.Chem., 2009
8PAR
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BU of 8par by Molmil
Crystal structure of human MAP4K1 with an inhibitor, BAY-405
分子名称: GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine
著者Schaefer, M.
登録日2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
7PHE
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BU of 7phe by Molmil
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
分子名称: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
著者Dinis, P, MetsaKetela, M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
2ZYS
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BU of 2zys by Molmil
A. Fulgidus lipase with fatty acid fragment and chloride
分子名称: CHLORIDE ION, Lipase, putative, ...
著者Chen, C.K, Ko, T.P, Guo, R.T, Wang, A.H.
登録日2009-01-29
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the alkalohyperthermophilic Archaeoglobus fulgidus lipase contains a unique C-terminal domain essential for long-chain substrate binding.
J.Mol.Biol., 390, 2009
7ATL
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BU of 7atl by Molmil
EstCE1, a hydrolase with promiscuous acyltransferase activity
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ...
著者Palm, G.J, Lammers, M, Berndt, L.
登録日2020-10-30
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.478 Å)
主引用文献Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases.
Angew.Chem.Int.Ed.Engl., 60, 2021
3ISJ
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BU of 3isj by Molmil
Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide
分子名称: 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide, ETHANOL, GLYCEROL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-26
公開日2009-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase
Angew.Chem.Int.Ed.Engl., 48, 2009
7AV7
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BU of 7av7 by Molmil
Crystal structure of S-nitrosylated nitrosoglutathione reductase(GSNOR)from Chlamydomonas reinhardtii, in complex with NAD+
分子名称: CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, S-(hydroxymethyl)glutathione dehydrogenase, ...
著者Fermani, S, Zaffagnini, M, Falini, G, Lemaire, S.D.
登録日2020-11-04
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Redox Biol, 38, 2020
7PHT
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BU of 7pht by Molmil
Structure of Insulin receptor's transmembrane domain
分子名称: Isoform Long of Insulin receptor
著者Bershatsky, Y.V, Nadezhdin, K.D, Bocharova, O.V, Bocharov, E.V.
登録日2021-08-18
公開日2022-09-07
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure of Insulin receptor's transmembrane domain
To Be Published
7AX8
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BU of 7ax8 by Molmil
Crystal structure of the hPXR-LBD in apo form (P43212 SG)
分子名称: 1,2-ETHANEDIOL, Nuclear receptor subfamily 1 group I member 2
著者Delfosse, V, Huet, T, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7DXG
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BU of 7dxg by Molmil
Structure of SAR7334-bound TRPC6 at 2.9 angstrom
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile, CALCIUM ION, ...
著者Chen, L, Guo, W.
登録日2021-01-18
公開日2022-02-02
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mechanism of human TRPC3 and TRPC6 channel regulation by their intracellular calcium-binding sites.
Neuron, 110, 2022
7K7U
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BU of 7k7u by Molmil
BetaB2-crystallin
分子名称: Beta-crystallin B2
著者Tan, L.L, Jackson, C.J.
登録日2020-09-24
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献BetaB2-crystallin
To Be Published
7AXE
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BU of 7axe by Molmil
Crystal structure of the hPXR-LBD in complex with oxadiazon
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ...
著者Harrus, D, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7DYX
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BU of 7dyx by Molmil
Human JMJD5 in complex with MN and 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7SN4
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BU of 7sn4 by Molmil
Cryo-EM structure of the enterohemorrhagic E. coli O157:H7 flagellar filament
分子名称: Flagellin
著者Kreutzberger, M.A.B, Wang, F, Egelman, E.H.
登録日2021-10-27
公開日2022-03-16
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Flagellin outer domain dimerization modulates motility in pathogenic and soil bacteria from viscous environments.
Nat Commun, 13, 2022
3ITE
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BU of 3ite by Molmil
The third adenylation domain of the fungal SidN non-ribosomal peptide synthetase
分子名称: CHLORIDE ION, SULFATE ION, SidN siderophore synthetase
著者Lee, T.V, Lott, J.S, Johnson, R.D, Johnson, L.J, Arcus, V.L.
登録日2009-08-28
公開日2009-11-17
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a eukaryotic nonribosomal peptide synthetase adenylation domain that activates a large hydroxamate amino acid in siderophore biosynthesis
J.Biol.Chem., 285, 2010
7B0J
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BU of 7b0j by Molmil
TRPC4 in LMNG detergent
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CALCIUM ION, Transient receptor potential cation channel subfamily c member 4a
著者Vinayagam, D, Quentin, D, Sistel, O, Merino, F, Stabrin, M, Hofnagel, O, Ledeboer, M.W, Malojcic, G, Raunser, S.
登録日2020-11-20
公開日2020-12-09
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis of TRPC4 regulation by calmodulin and pharmacological agents.
Elife, 9, 2020
7DYU
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BU of 7dyu by Molmil
Human JMJD5 in complex with MN and 5-((4-phenylbutyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7E8S
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BU of 7e8s by Molmil
Intact TRAPPII (state I).
分子名称: TRAPP-associated protein TCA17, Trafficking protein particle complex II-specific subunit 120, Trafficking protein particle complex II-specific subunit 130, ...
著者Mi, C.C, Sui, S.F.
登録日2021-03-02
公開日2022-02-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.36 Å)
主引用文献Structural basis for assembly of TRAPPII complex and specific activation of GTPase Ypt31/32.
Sci Adv, 8, 2022
3ITY
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BU of 3ity by Molmil
Metal-free form of Pseudomonas stutzeri L-rhamnose isomerase
分子名称: L-rhamnose isomerase
著者Yoshida, H, Yamaji, M, Ishii, T, Izumori, K, Kamitori, S.
登録日2009-08-28
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
Febs J., 277, 2010
7K6V
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BU of 7k6v by Molmil
Crystal Structure of Virus-like Particles of GII.4 Norovirus Houston virus (HOV)
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
著者Hu, L, Prasad, B.V.V.
登録日2020-09-21
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of GII.4 Norovirus capsid reveals inherent conformational flexibility of the capsid protein
To Be Published
7PL7
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BU of 7pl7 by Molmil
Crystal structure of yeast Otu2 OTU domain
分子名称: OTU domain-containing protein 2
著者Ivic, N, Cheng, J, Becker, T, Ikeuchi, K.
登録日2021-08-28
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of yeast Otu2 OTU domain
To Be Published
2M6W
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BU of 2m6w by Molmil
Solution NMR structure of the d(GGGGTTGGGGTTTTGGGGAAGGGG) quadruplex in sodium conditions
分子名称: DNA (5'-D(*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*GP*AP*AP*GP*GP*GP*G)-3')
著者Karsisiotis, A.I, Webba da Silva, M.
登録日2013-04-19
公開日2014-07-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Encoding canonical DNA quadruplex structure.
Sci Adv, 4, 2018

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件を2024-08-21に公開中

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