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7LNL
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BU of 7lnl by Molmil
Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem
分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC
著者Furey, I, Palzkill, T, Sankaran, B, Hu, L, Prasad, B.V.V.
登録日2021-02-07
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Local interactions with the Glu166 base and the conformation of an active site loop play key roles in carbapenem hydrolysis by the KPC-2 beta-lactamase.
J.Biol.Chem., 296, 2021
2VCT
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Glutathione transferase A2-2 in complex with delta-4-andostrene-3-17- dione
分子名称: 4-ANDROSTENE-3-17-DIONE, GLUTATHIONE S-TRANSFERASE A2
著者Tars, K, Olin, B, Mannervik, B.
登録日2007-09-27
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Featuring of Steroid Isomerase Activity in Alpha Class Glutathione Transferases.
J.Mol.Biol., 397, 2010
7LHE
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BU of 7lhe by Molmil
Structure of full-length IP3R1 channel reconstituted into lipid nanodisc in the apo-state
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Inositol 1,4,5-trisphosphate receptor type 1, ZINC ION
著者Baker, M.R, Fan, G, Baker, M.L, Serysheva, I.I.
登録日2021-01-22
公開日2021-06-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of type 1 IP3R channel in a lipid bilayer
Commun Biol, 4, 2021
7LPS
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BU of 7lps by Molmil
Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2)
分子名称: 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ...
著者Nowak, R.P, Fischer, E.S.
登録日2021-02-12
公開日2021-06-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.78 Å)
主引用文献Acute pharmacological degradation of Helios destabilizes regulatory T cells.
Nat.Chem.Biol., 17, 2021
8UXX
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BU of 8uxx by Molmil
Arp2/3 branch junction complex, BeFx state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
著者Chavali, S.S, Chou, S.Z, Sindelar, C.V.
登録日2023-11-11
公開日2024-01-31
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by Arp2/3 complex.
Nat Commun, 15, 2024
1O6V
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BU of 1o6v by Molmil
Internalin (INLA, Listeria monocytogenes) - functional domain, uncomplexed
分子名称: CALCIUM ION, INTERNALIN A
著者Schubert, W.-D, Urbanke, C, Ziehm, T, Beier, V, Machner, M.P, Domann, E, Wehland, J, Chakraborty, T, Heinz, D.W.
登録日2002-10-16
公開日2002-12-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of Internalin, a Major Invasion Protein of Listeria Monocytogenes, in Complex with its Human Receptor E-Cadherin
Cell(Cambridge,Mass.), 111, 2002
7LHF
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BU of 7lhf by Molmil
Structure of full-length IP3R1 channel solubilized in LNMG & lipid in the apo-state
分子名称: (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, Inositol 1,4,5-trisphosphate receptor type 1, ZINC ION
著者Baker, M.R, Fan, G, Baker, M.L, Serysheva, I.I.
登録日2021-01-22
公開日2021-06-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Cryo-EM structure of type 1 IP3R channel in a lipid bilayer
Commun Biol, 4, 2021
5EIR
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BU of 5eir by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
分子名称: Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E, SULFATE ION, ...
著者Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
登録日2015-10-30
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
8U7V
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BU of 8u7v by Molmil
Human retinal variant phosphomimetic IMPDH1(546)-S477D filament bound by GTP, ATP, IMP, and NAD+, interface-centered
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者Calise, S.J, Kollman, J.M.
登録日2023-09-15
公開日2024-01-31
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Light-sensitive phosphorylation regulates retinal IMPDH1 activity and filament assembly.
J.Cell Biol., 223, 2024
2VLK
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BU of 2vlk by Molmil
The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain
分子名称: BETA-2-MICROGLOBULIN, FLU MATRIX PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Ishizuka, J, Stewart-Jones, G, Van Der Merwe, A, Bell, J, Mcmichael, A, Jones, Y.
登録日2008-01-15
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Structural Dynamics and Energetics of an Immunodominant T-Cell Receptor are Programmed by its Vbeta Domain
Immunity, 28, 2008
1ODS
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BU of 1ods by Molmil
Cephalosporin C deacetylase from Bacillus subtilis
分子名称: CEPHALOSPORIN C DEACETYLASE, CHLORIDE ION, MAGNESIUM ION
著者Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J.
登録日2003-02-20
公開日2003-07-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution
J.Mol.Biol., 330, 2003
4NAA
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BU of 4naa by Molmil
Crystal structure of UVB photoreceptor UVR8 from Arabidopsis thaliana and UV-induced structural changes at 120K
分子名称: MAGNESIUM ION, Ultraviolet-B receptor UVR8
著者Yang, X, Zeng, X, Ren, Z, Zhao, K.H.
登録日2013-10-22
公開日2016-10-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4NBA
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BU of 4nba by Molmil
Carbazole-bound oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase
分子名称: 9H-CARBAZOLE, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
登録日2013-10-23
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
4IN4
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BU of 4in4 by Molmil
Crystal structure of cpd 15 bound to Keap1 Kelch domain
分子名称: 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION
著者Silvian, L, Marcotte, D.
登録日2013-01-03
公開日2013-05-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
4NBS
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BU of 4nbs by Molmil
The structure of aIF2gamma subunit H20F from archaeon Sulfolobus solfataricus complexed with GDPCP
分子名称: FORMIC ACID, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
著者Kravchenko, O.V, Nikonov, O.S, Arhipova, V.I, Stolboushkina, E.A, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V.
登録日2013-10-23
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.305 Å)
主引用文献The structure of aIF2gamma subunit H20F from archaeon Sulfolobus solfataricus complexed with GDPCP
To be Published
5ENL
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BU of 5enl by Molmil
INHIBITION OF ENOLASE: THE CRYSTAL STRUCTURES OF ENOLASE-CA2+-PHOSPHOGLYCERATE AND ENOLASE-ZN2+-PHOSPHOGLYCOLATE COMPLEXES AT 2.2-ANGSTROMS RESOLUTION
分子名称: 2-PHOSPHOGLYCERIC ACID, CALCIUM ION, ENOLASE
著者Lebioda, L, Stec, B.
登録日1990-11-13
公開日1992-04-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of enolase: the crystal structures of enolase-Ca2(+)- 2-phosphoglycerate and enolase-Zn2(+)-phosphoglycolate complexes at 2.2-A resolution.
Biochemistry, 30, 1991
3G5H
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BU of 3g5h by Molmil
Crystallographic analysis of cytochrome P450 cyp121
分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Belin, P, Le Du, M.H, Gondry, M.
登録日2009-02-05
公開日2009-04-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
8U7M
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BU of 8u7m by Molmil
Human retinal variant phosphomimetic IMPDH1(595)-S477D free octamer bound by GTP, ATP, IMP, and NAD+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
著者Calise, S.J, Kollman, J.M.
登録日2023-09-15
公開日2024-01-31
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Light-sensitive phosphorylation regulates retinal IMPDH1 activity and filament assembly.
J.Cell Biol., 223, 2024
4MTW
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BU of 4mtw by Molmil
Thermolysin in complex with UBTLN36
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2013-09-20
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors.
Chemmedchem, 4, 2014
2VBM
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BU of 2vbm by Molmil
Tailspike protein of bacteriophage Sf6 complexed with tetrasaccharide
分子名称: MAGNESIUM ION, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Mueller, J.J, Barbirz, S, Freiberg, A, Seckler, R, Heinemann, U.
登録日2007-09-14
公開日2008-04-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An Intersubunit Active Site between Supercoiled Parallel Beta Helices in the Trimeric Tailspike Endorhamnosidase of Shigella Flexneri Phage Sf6.
Structure, 16, 2008
2V2T
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BU of 2v2t by Molmil
X-ray structure of a NF-kB p50-RelB-DNA complex
分子名称: 5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*CP*CP*CP)-3', NUCLEAR FACTOR NF-KAPPA-B P105 SUBUNIT, TRANSCRIPTION FACTOR RELB
著者Moorthy, A.K, Huang, D.B, Wang, V.Y, Vu, D, Ghosh, G.
登録日2007-06-07
公開日2007-07-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献X-Ray Structure of a NF-kappaB p50/Relb/DNA Complex Reveals Assembly of Multiple Dimers on Tandem kappaB Sites.
J.Mol.Biol., 373, 2007
7RF9
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BU of 7rf9 by Molmil
O2-, PLP-dependent desaturase Plu4 intermediate-bound enzyme
分子名称: (2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid, 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, ...
著者Hoffarth, E.R, Ryan, K.S.
登録日2021-07-13
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases.
Proc.Natl.Acad.Sci.USA, 118, 2021
2V6L
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Molecular Model of a Type III Secretion System Needle
分子名称: MXIH
著者Deane, J.E, Roversi, P, Cordes, F.S, Johnson, S, Kenjale, R, Daniell, S, Booy, F, Picking, W.L, Picking, W.D, Blocker, A.J, Lea, S.M.
登録日2007-07-19
公開日2007-07-31
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (16 Å)
主引用文献Molecular model of a type III secretion system needle: Implications for host-cell sensing.
Proc. Natl. Acad. Sci. U.S.A., 103, 2006
4IDD
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BU of 4idd by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and EHMF
分子名称: (2R)-2-ethyl-4-hydroxy-5-methylfuran-3(2H)-one, 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
3FXT
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BU of 3fxt by Molmil
Crystal structure of the N-terminal domain of human NUDT6
分子名称: GLYCEROL, Nucleoside diphosphate-linked moiety X motif 6
著者Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-01-21
公開日2009-03-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the N-terminal domain of human NUDT6
To be Published

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