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6A99
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Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6EG5
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BU of 6eg5 by Molmil
The structure of SB-1-202-tubulin complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者Banerjee, A.K, Wang, Y, Chen, H, Miller, D, Li, W.
登録日2018-08-18
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The structure of SB-1-202/SB-2-204-tubulin complex
To Be Published
8H9S
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BU of 8h9s by Molmil
Human ATP synthase state 1 (combined)
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Lai, Y, Zhang, Y, Liu, F, Gao, Y, Gong, H, Rao, Z.
登録日2022-10-25
公開日2023-05-31
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Structure of the human ATP synthase.
Mol.Cell, 83, 2023
6HX4
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BU of 6hx4 by Molmil
Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin
分子名称: Alpha-1-antitrypsin, Fab 1D9 heavy chain, Fab 1D9 light chain
著者Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Lomas, D.A, Irving, J.A.
登録日2018-10-15
公開日2019-10-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin
To Be Published
5KH6
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BU of 5kh6 by Molmil
SETDB1 in complex with a fragment candidate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC)
登録日2016-06-14
公開日2016-09-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献SETDB1 in complex with a fragment candidate
To be published
3L3U
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BU of 3l3u by Molmil
Crystal structure of the HIV-1 integrase core domain to 1.4A
分子名称: POL polyprotein, SULFATE ION
著者Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W.
登録日2009-12-17
公開日2010-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site.
Febs Lett., 584, 2010
3ZGO
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BU of 3zgo by Molmil
Re-refined structure of the human Sirt2 apoform
分子名称: 1,2-ETHANEDIOL, ETHANOL, HEXAETHYLENE GLYCOL, ...
著者Moniot, S, Steegborn, C.
登録日2012-12-18
公開日2013-03-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal Structure Analysis of Human Sirt2 and its Adp-Ribose Complex
J.Struct.Biol., 182, 2013
8SW4
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BU of 8sw4 by Molmil
BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 21M20 heavy chain variable region, ...
著者Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B.
登録日2023-05-17
公開日2024-05-29
最終更新日2025-06-04
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Germline-targeting HIV vaccination induces neutralizing antibodies to the CD4 binding site.
Sci Immunol, 9, 2024
6A6L
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BU of 6a6l by Molmil
Crystal structure of the cold shock domain of YB-1 in complex with m5C RNA
分子名称: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*CP*AP*UP*(5MC))-3')
著者Huang, Y.
登録日2018-06-28
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of the cold shock domain of YB-1 in complex with m5C RNA
To Be Published
6ERJ
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BU of 6erj by Molmil
Self-complemented FimA subunit from Salmonella enterica
分子名称: ACETIC ACID, Type-1 fimbrial protein, a chain
著者Zyla, D.S, Prota, A, Capitani, G, Glockshuber, R.
登録日2017-10-18
公開日2019-01-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria.
J.Biol.Chem., 294, 2019
5NCZ
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BU of 5ncz by Molmil
mPI3Kd IN COMPLEX WITH inh1
分子名称: 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Petersen, J.
登録日2017-03-06
公開日2017-06-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
3KVV
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BU of 3kvv by Molmil
Trapping of an oxocarbenium ion intermediate in UP crystals
分子名称: 1,4-anhydro-D-erythro-pent-1-enitol, 5-FLUOROURACIL, SULFATE ION, ...
著者Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E.
登録日2009-11-30
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
4ZQE
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BU of 4zqe by Molmil
Crystal structure of DOX-P Reductoisomerase in complex with magnesium
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, GLYCEROL, SULFATE ION
著者Birkinshaw, R.W, Brady, R.L.
登録日2015-05-10
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structures of the Moraxella catarrhalis DOX-P Reductoisomerase
To Be Published
5F8K
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BU of 5f8k by Molmil
Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
登録日2015-12-09
公開日2016-02-03
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
5DT2
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BU of 5dt2 by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, ...
著者Scheufler, C, Gaul, C, Be, C, Moebitz, H.
登録日2015-09-17
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
6HDG
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BU of 6hdg by Molmil
D170N variant of beta-phosphoglucomutase from Lactococcus lactis complexed with beta-G1P in a closed conformer to 1.2 A.
分子名称: 1,2-ETHANEDIOL, 1-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ...
著者Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P.
登録日2018-08-17
公開日2020-08-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
9FZI
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BU of 9fzi by Molmil
A new crystal structure of the hPXR-LBD in fusion with an SRC1 co-activator peptide and in complex with SR12813 (P212121 form)
分子名称: Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
著者Carivenc, C, Blanc, P, Bourguet, W, Delfosse, V.
登録日2024-07-05
公開日2025-02-19
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A two-in-one expression construct for biophysical and structural studies of the human pregnane X receptor ligand-binding domain, a pharmaceutical and environmental target.
Acta Crystallogr.,Sect.F, 81, 2025
3KY8
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BU of 3ky8 by Molmil
Crystal structure of Putative riboflavin biosynthesis protein (YP_001092907.1) from SHEWANELLA SP. PV-4 at 2.12 A resolution
分子名称: GLYCEROL, Putative riboflavin biosynthesis protein, SULFATE ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-12-04
公開日2009-12-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of Putative riboflavin biosynthesis protein (YP_001092907.1) from SHEWANELLA SP. PV-4 at 2.12 A resolution
To be published
4KU0
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BU of 4ku0 by Molmil
Enterobacteria phage T4 gp5.4 PAAR repeat protein in complex with T4 gp5 beta-helix fragment
分子名称: 1,2-ETHANEDIOL, Elaidic acid, FE (III) ION, ...
著者Buth, S.A, Leiman, P.G, Shneider, M.M.
登録日2013-05-21
公開日2014-05-21
最終更新日2025-07-23
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystall structute of the business end of the T4 cell-puncturing device
To be Published
7N2U
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BU of 7n2u by Molmil
Elongating 70S ribosome complex in a hybrid-H1 pre-translocation (PRE-H1) conformation
分子名称: 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ...
著者Rundlet, E.J, Holm, M, Schacherl, M, Natchiar, K.S, Altman, R.B, Spahn, C.M.T, Myasnikov, A.G, Blanchard, S.C.
登録日2021-05-29
公開日2021-07-14
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Structural basis of early translocation events on the ribosome.
Nature, 595, 2021
5FOO
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BU of 5foo by Molmil
6-phospho-beta-glucosidase
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHO-BETA-D GLYCOSIDASE, ...
著者Jin, Y, Kwan, D.H, Withers, S.G, Davies, G.J.
登録日2015-11-24
公開日2016-02-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chemoenzymatic Synthesis of 6-Phospho-Cyclophellitol as a Novel Probe of 6-Phospho-Beta-Glucosidases.
FEBS Lett., 590, 2016
1KHG
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BU of 1khg by Molmil
PEPCK
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
著者Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J.
登録日2001-11-29
公開日2002-02-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site.
J.Mol.Biol., 316, 2002
7QTT
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BU of 7qtt by Molmil
Structural organization of a late activated human spliceosome (Baqr, core region)
分子名称: 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ...
著者Cretu, C, Pena, V.
登録日2022-01-15
公開日2023-05-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of catalytic activation in human splicing.
Nature, 617, 2023
8A1U
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Sodium pumping NADH-quinone oxidoreductase with substrates NADH and Q2
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DODECYL-BETA-D-MALTOSIDE, ...
著者Hau, J.-L, Kaltwasser, S, Vonck, J, Fritz, G, Steuber, J.
登録日2022-06-02
公開日2023-09-20
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Nat.Struct.Mol.Biol., 30, 2023
6AHH
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BU of 6ahh by Molmil
Crystal Structure of HEWL in complex with Phenylethyl alcohol (in the aroma form) after 5 hours under fibrillation conditions
分子名称: 2-PHENYL-ETHANOL, CHLORIDE ION, Lysozyme C, ...
著者Seraj, Z, Seyedarabi, A.
登録日2018-08-18
公開日2019-08-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cinnamaldehyde and Phenyl Ethyl Alcohol promote the entrapment of intermediate species of HEWL, as revealed by structural, kinetics and thermal stability studies.
Sci Rep, 9, 2019

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