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9MM2
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BU of 9mm2 by Molmil
Crystal structure of bacterial pectin methylesterase PmeC5 from B. fibrisolvens D1T
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, MAGNESIUM ION, ...
著者Carbone, V, Reilly, K, Sang, C, Schofield, L, Ronimus, R, Attwood, G.T, Palevich, N.
登録日2024-12-19
公開日2025-01-15
最終更新日2025-06-18
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal Structure of the Multidomain Pectin Methylesterase PmeC5 from Butyrivibrio fibrisolvens D1 T.
Biomolecules, 15, 2025
4E7C
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E. cloacae MurA in complex with UTP
分子名称: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Zhu, J.-Y, Yang, Y, Schonbrunn, E.
登録日2012-03-16
公開日2013-03-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Open-close transition of MurA
To be Published
8HDN
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BU of 8hdn by Molmil
Brucella melitensis 7-alpha-Hydroxysteroid Dehydrogenase mutant: 1-53 truncation-I258M/K262T
分子名称: 7-alpha-hydroxysteroid dehydrogenase
著者Liu, Z.Y, Zhang, R.Z.
登録日2022-11-05
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of 7-alpha-hydroxysteroid dehydrogenase
To Be Published
8QPE
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BU of 8qpe by Molmil
Cryo-EM Structure of Pre-B-like Complex (core part)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, INOSITOL HEXAKISPHOSPHATE, Microfibrillar-associated protein 1, ...
著者Zhang, Z, Kumar, V, Dybkov, O, Will, C.L, Zhong, J, Ludwig, S, Urlaub, H, Kastner, B, Stark, H, Luehrmann, R.
登録日2023-10-01
公開日2024-05-22
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into the cross-exon to cross-intron spliceosome switch.
Nature, 630, 2024
6NLV
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BU of 6nlv by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
分子名称: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Singh, S, McKenna, R.
登録日2019-01-09
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.794 Å)
主引用文献Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
9CX9
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BU of 9cx9 by Molmil
Structure of SH3 domain of Src in complex with beta-arrestin 1
分子名称: Antibody fragment Fab30, heavy chain, light chain, ...
著者Pakharukova, N, Bansia, H, Lefkowitz, R.J, des Georges, A.
登録日2024-07-31
公開日2024-11-13
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Beta-arrestin 1 mediated Src activation via Src SH3 domain revealed by cryo-electron microscopy.
Biorxiv, 2024
7O3E
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BU of 7o3e by Molmil
Murine supercomplex CIII2CIV in the intermediate locked conformation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Vercellino, I, Sazanov, L.A.
登録日2021-04-01
公開日2021-10-13
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
7O3C
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BU of 7o3c by Molmil
Murine supercomplex CIII2CIV in the mature unlocked conformation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Vercellino, I, Sazanov, L.A.
登録日2021-04-01
公開日2021-10-13
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
7O37
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BU of 7o37 by Molmil
Murine supercomplex CIII2CIV in the assembled locked conformation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
著者Vercellino, I, Sazanov, L.A.
登録日2021-04-01
公開日2021-10-13
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure and assembly of the mammalian mitochondrial supercomplex CIII 2 CIV.
Nature, 598, 2021
7W61
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BU of 7w61 by Molmil
Crystal structure of farnesol dehydrogenase from Helicoverpa armigera
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Farnesol dehydrogenase, ...
著者Kumar, R, Das, J, Mahto, J.K, Sharma, M, Kumar, P, Sharma, A.K.
登録日2021-12-01
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and molecular characterization of NADP + -farnesol dehydrogenase from cotton bollworm, Helicoverpaarmigera.
Insect Biochem.Mol.Biol., 147, 2022
6ZWI
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BU of 6zwi by Molmil
Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)
分子名称: (2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Da Silva, O, Nachon, F, Dias, J, Brazzolotto, X.
登録日2020-07-28
公開日2021-06-09
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.
Antioxidants (Basel), 10, 2021
6NM0
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BU of 6nm0 by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
分子名称: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Singh, S, McKenna, R.
登録日2019-01-10
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
4MWS
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BU of 4mws by Molmil
Crystal structure of human PPCA (trigonal crystal form 1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lysosomal protective protein, ...
著者Kolli, N, Garman, S.C.
登録日2013-09-25
公開日2014-03-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Proteolytic activation of human cathepsin A.
J.Biol.Chem., 289, 2014
3U2U
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BU of 3u2u by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese, UDP and maltotetraose
分子名称: GLYCEROL, Glycogenin-1, MANGANESE (II) ION, ...
著者Chaikuad, A, Froese, D.S, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2011-10-04
公開日2011-11-02
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
8R15
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BU of 8r15 by Molmil
Crystal structure of Fusarium oxysporum NADase I
分子名称: GLYCEROL, TNT domain-containing protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M.
登録日2023-11-01
公開日2024-07-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024
2N29
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BU of 2n29 by Molmil
Solution-state NMR structure of Vpu cytoplasmic domain
分子名称: Protein Vpu
著者Zhang, H, Lin, E.C, Tian, Y, Das, B.B, Opella, S.J.
登録日2015-05-01
公開日2015-09-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural determination of virus protein U from HIV-1 by NMR in membrane environments.
Biochim.Biophys.Acta, 1848, 2015
4Y4T
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BU of 4y4t by Molmil
Endothiapepsin in complex with fragment 114
分子名称: 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
6NFZ
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BU of 6nfz by Molmil
Crystal structure of diphosphorylated HPK1 kinase domain in complex with sunitinib in the active state.
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
著者Johnson, E, McTigue, M, Cronin, C.N.
登録日2018-12-21
公開日2019-05-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.966 Å)
主引用文献Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
9LGL
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BU of 9lgl by Molmil
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 6
分子名称: 1,2-ETHANEDIOL, 3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one, CHLORIDE ION, ...
著者Xu, Z.H, Chen, S.
登録日2025-01-10
公開日2025-05-14
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of Naphthyridinone Derivatives as Selective and Potent PKMYT1 Inhibitors with Antitumor Efficacy.
J.Med.Chem., 68, 2025
9KP9
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BU of 9kp9 by Molmil
PfDXR - Mn2+ - NADPH - TAKK443 quaternary complex
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, MANGANESE (II) ION, ...
著者Takada, S, Sakamoto, Y, Tanaka, N.
登録日2024-11-22
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Expanding the Chemical Space of Reverse Fosmidomycin Analogs.
Acs Med.Chem.Lett., 16, 2025
4EWT
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BU of 4ewt by Molmil
The crystal structure of a putative aminohydrolase from methicillin resistant Staphylococcus aureus
分子名称: 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Girish, T.S, Vivek, B, Colaco, M, Misquith, S, Gopal, B.
登録日2012-04-27
公開日2013-02-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of an amidohydrolase, SACOL0085, from methicillin-resistant Staphylococcus aureus COL
Acta Crystallogr.,Sect.F, 69, 2013
8I1Z
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BU of 8i1z by Molmil
E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment
分子名称: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ...
著者Xiang, M, Zhou, H.
登録日2023-01-13
公開日2023-04-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
7O8C
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BU of 7o8c by Molmil
Structure of SGBP BO2743 from Bacteroides ovatus
分子名称: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, BETA-MERCAPTOETHANOL, ...
著者Correia, V.C, Trovao, F, Pinheiro, B.A, Palma, A.S, Carvalho, A.L.
登録日2021-04-15
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping Molecular Recognition of beta 1,3-1,4-Glucans by a Surface Glycan-Binding Protein from the Human Gut Symbiont Bacteroides ovatus.
Microbiol Spectr, 9, 2021
4EUP
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BU of 4eup by Molmil
The complex between TCR JKF6 and human Class I MHC HLA-A2 presenting the MART-1(27-35)(A27L) peptide
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Hossain, M, Baker, B.M.
登録日2012-04-25
公開日2013-05-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural description of how different MART-1 antigenic peptides influence JKF6 T cell receptor recognition
To be Published
2MPM
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BU of 2mpm by Molmil
Structural Basis of Receptor Sulfotyrosine Recognition by a CC Chemokine: the N-terminal Region of CCR3 Bound to CCL11/Eotaxin-1
分子名称: CCR3, Eotaxin
著者Millard, C.J, Ludeman, J.P, Canals, M, Bridgford, J.L, Hinds, M.G, Clayton, D.J, Christopoulos, A, Payne, R.J, Stone, M.J.
登録日2014-05-26
公開日2014-12-10
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Structural Basis of Receptor Sulfotyrosine Recognition by a CC Chemokine: The N-Terminal Region of CCR3 Bound to CCL11/Eotaxin-1.
Structure, 22, 2014

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