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9DVK
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BU of 9dvk by Molmil
Structure of the phosphate exporter XPR1/SLC53A1, rotated dimer
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, PHOSPHATE ION, ...
著者Zhu, Q, Diver, M.M.
登録日2024-10-08
公開日2025-04-02
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Transport and InsP 8 gating mechanisms of the human inorganic phosphate exporter XPR1.
Nat Commun, 16, 2025
9DVL
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BU of 9dvl by Molmil
Structure of the phosphate exporter XPR1/SLC53A1, InsP6-supplemented
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, PHOSPHATE ION, ...
著者Zhu, Q, Diver, M.M.
登録日2024-10-08
公開日2025-04-02
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Transport and InsP 8 gating mechanisms of the human inorganic phosphate exporter XPR1.
Nat Commun, 16, 2025
6RJF
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BU of 6rjf by Molmil
Echovirus 1 intact particle
分子名称: PALMITIC ACID, VP1, VP2, ...
著者Domanska, A, Ruokolainen, V.P, Pelliccia, M, Laajala, M.A, Marjomaki, V.S, Butcher, S.J.
登録日2019-04-26
公開日2019-06-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Extracellular Albumin and Endosomal Ions Prime Enterovirus Particles for Uncoating That Can Be Prevented by Fatty Acid Saturation.
J.Virol., 93, 2019
6RKF
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BU of 6rkf by Molmil
Structure of human DASPO
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-aspartate oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chaves-Sanjuan, A, Nardini, M.
登録日2019-04-30
公開日2020-03-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.219 Å)
主引用文献Structure and kinetic properties of human d-aspartate oxidase, the enzyme-controlling d-aspartate levels in brain.
Faseb J., 34, 2020
6XYX
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BU of 6xyx by Molmil
Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD corepressor peptide
分子名称: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, Nuclear receptor corepressor 1, ...
著者Zacharchenko, T, Wright, S.C.
登録日2020-01-31
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone.
Iucrj, 8, 2021
6RTV
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BU of 6rtv by Molmil
Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-glucuronoyl methylesterase, ...
著者Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S.
登録日2019-05-27
公開日2020-03-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
8V1O
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BU of 8v1o by Molmil
Crystal structure of IRAK4 kinase domain with compound 4
分子名称: CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ...
著者Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
登録日2023-11-21
公開日2024-07-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
5YJI
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BU of 5yji by Molmil
Co-crystal structure of Mouse Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
分子名称: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
登録日2017-10-10
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
7NY7
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BU of 7ny7 by Molmil
Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Histone macroH2A1.1
著者Guberovic, I, Knobloch, G, Basquin, J, Buschbeck, M, Ladurner, A.G.
登録日2021-03-21
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
6IJ7
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BU of 6ij7 by Molmil
Crystal Structure of Arabidopsis thaliana UGT89C1
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Rhamnosyltransferase protein
著者Zong, G, Wang, X.
登録日2018-10-09
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Crystal structures of rhamnosyltransferase UGT89C1 from Arabidopsis thaliana reveal the molecular basis of sugar donor specificity for UDP-beta-l-rhamnose and rhamnosylation mechanism.
Plant J., 99, 2019
144D
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BU of 144d by Molmil
MINOR GROOVE BINDING OF SN6999 TO AN ALKYLATED DNA: MOLECULAR STRUCTURE OF D(CGC[E6G]AATTCGCG)-SN6999 COMPLEX
分子名称: 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM, DNA (5'-D(*CP*GP*CP*(G36)P*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Gao, Y.-G, Sriram, M, Denny, W.A, Wang, A.H.-J.
登録日1993-10-26
公開日1995-05-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Minor groove binding of SN6999 to an alkylated DNA: molecular structure of d(CGC[e6G]AATTCGCG)-SN6999 complex.
Biochemistry, 32, 1993
8SCW
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BU of 8scw by Molmil
Crystal structure of IRAK4-HSA complexed with BMS-986147; 6-{5-CYANO-1H-PYRAZOLO[3,4-B]PYRIDIN-1-YL}-N-[(2R)-2-FLUORROXY-3-METHYLBUTYL]-4-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXAMIDE
分子名称: (6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Muckelbauer, J.K, Ghosh, K.
登録日2023-04-05
公開日2025-02-12
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献The Discovery of IRAK4 Inhibitor Clinical Candidates BMS-986126 and BMS-986147 for the Treatment of Autoimmune Diseases
To Be Published
1AAN
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BU of 1aan by Molmil
CRYSTAL STRUCTURE ANALYSIS OF AMICYANIN AND APOAMICYANIN FROM PARACOCCUS DENITRIFICANS AT 2.0 ANGSTROMS AND 1.8 ANGSTROMS RESOLUTION
分子名称: AMICYANIN, COPPER (II) ION
著者Chen, L, Durley, R.C.E, Lim, L.W, Mathews, F.S.
登録日1992-04-09
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure analysis of amicyanin and apoamicyanin from Paracoccus denitrificans at 2.0 A and 1.8 A resolution.
Protein Sci., 2, 1993
5CLJ
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BU of 5clj by Molmil
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, complexed with AIR (5-aminoimidazole ribonucleotide) and CO2
分子名称: 1,2-ETHANEDIOL, 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, CARBON DIOXIDE, ...
著者Starks, C.M, Kappock, T.J.
登録日2015-07-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
8PFQ
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BU of 8pfq by Molmil
RNA structure with 1-methylpseudouridine, P1 space group
分子名称: Chains: A,B, MAGNESIUM ION
著者Spingler, B, McAuley, K, Nievergelt, P, Thorn, A.
登録日2023-06-16
公開日2024-01-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines.
Chemmedchem, 19, 2024
1AFK
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BU of 1afk by Molmil
CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 5'-DIPHOSPHOADENOSINE-3'-PHOSPHATE
分子名称: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, RIBONUCLEASE A
著者Leonidas, D.D, Acharya, K.R.
登録日1997-03-08
公開日1998-03-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of ribonuclease A complexes with 5'-diphosphoadenosine 3'-phosphate and 5'-diphosphoadenosine 2'-phosphate at 1.7 A resolution.
Biochemistry, 36, 1997
5ZIQ
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BU of 5ziq by Molmil
Crystal structure of hexacoordinated heme protein from anhydrobiotic tardigrade at pH 4
分子名称: 1,2-ETHANEDIOL, Globin protein, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kim, J, Fukuda, Y, Inoue, T.
登録日2018-03-16
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Kumaglobin: a hexacoordinated heme protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus.
FEBS J., 286, 2019
5O00
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BU of 5o00 by Molmil
Ure2p5 from Phanerochaete chrysosporium cocrystallized with 1-(S-glutathionyl)-2,4-dinitrobenzene.
分子名称: DINITROPHENYLENE, GLYCEROL, Glutathione transferase Ure2p5, ...
著者Roret, T, Didierjean, C.
登録日2017-05-15
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Ure2p5 from Phanerochaete chrysosporium cocrystallized with 1-(S-glutathionyl)-2,4-dinitrobenzene.
To Be Published
8PJ0
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BU of 8pj0 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Georgiou, C, Brenk, R, Espeland, L.O.
登録日2023-06-22
公開日2024-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
9EOB
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BU of 9eob by Molmil
Engineered GH181 sialidase from Akkermansia muciniphila
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Pichler, M.J, Banerjee, S, Nielsen, T.S, Morth, J.P, Abou Hachem, M.
登録日2024-03-14
公開日2025-03-26
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Engineered GH181 sialidase from Akkermansia muciniphila
Acs Catalysis, 2025
7CL0
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BU of 7cl0 by Molmil
Crystal structure of human SIRT6
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
著者Song, K, Zhang, J.
登録日2020-07-20
公開日2021-02-24
最終更新日2025-09-17
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Reply to: Binding site for MDL-801 on SIRT6.
Nat.Chem.Biol., 17, 2021
7CNY
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BU of 7cny by Molmil
Crystal structure of 8PE bound PSD from E. coli (2.12 A)
分子名称: 1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, Phosphatidylserine decarboxylase alpha chain, ...
著者Kim, J, Cho, G.
登録日2020-08-03
公開日2021-03-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural insights into phosphatidylethanolamine formation in bacterial membrane biogenesis.
Sci Rep, 11, 2021
2VUQ
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BU of 2vuq by Molmil
Crystal structure of a human tRNAGly acceptor stem microhelix (derived from the gene sequence DG9990) at 1.18 Angstroem resolution
分子名称: 5'-R(*CP*CP*AP*AP*UP*GP*CP)-3', 5'-R(*GP*CP*AP*UP*UP*GP*GP)-3'
著者Eichert, A, Perbandt, M, Schreiber, A, Fuerste, J.P, Betzel, C, Erdmann, V.A, Foerster, C.
登録日2008-05-29
公開日2009-03-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Crystal Structure of the Human Trnagly Microhelix Isoacceptor G9990 at 1.18 A Resolution
Biochem.Biophys.Res.Commun., 380, 2009
5VM0
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BU of 5vm0 by Molmil
The hapten triclocarban bound to the single domain camelid nanobody VHH T9
分子名称: 1,2-ETHANEDIOL, Camelid Nanobody VHH T9, N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea
著者Wogulis, L.A, Wogulis, M.D, Tabares-da Rosa, S, Gonzalez-Sapienza, G, Wilson, D.K.
登録日2017-04-26
公開日2018-05-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure and specificity of several triclocarban-binding single domain camelid antibody fragments.
J. Mol. Recognit., 32, 2019
5CXR
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BU of 5cxr by Molmil
Influenza endonuclease complexed with 4-bromopyrazole
分子名称: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, MANGANESE (II) ION, ...
著者Bauman, J.D, Arnold, E.
登録日2015-07-29
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Rapid experimental SAD phasing and hot-spot identification with halogenated fragments.
IUCrJ, 3, 2016

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