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7VYX
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BU of 7vyx by Molmil
Crystal structure of the selenomethionine(SeMet)-derived Cas12c1 (D969A) ternary complex
分子名称: Non-target DNA strand, Selenomethionine (SeMet)-labeled Cas12c1 D969A mutant, Target DNA strand, ...
著者Zhang, B, Lin, J.Y, Perculija, V, OuYang, S.Y.
登録日2021-11-15
公開日2022-11-02
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into target DNA recognition and cleavage by the CRISPR-Cas12c1 system
Nucleic Acids Res., 50, 2022
5LP9
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BU of 5lp9 by Molmil
FimA wt from S. flexneri
分子名称: Major type 1 subunit fimbrin (Pilin)
著者Zyla, D, Capitani, G, Prota, A, Glockshuber, R.
登録日2016-08-12
公開日2017-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.88626635 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., 2019
5LOE
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BU of 5loe by Molmil
Structure of full length Cody from Bacillus subtilis in complex with Ile
分子名称: GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE
著者Wilkinson, A.J, Levdikov, V.M, Blagova, E.V.
登録日2016-08-09
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017
4XQD
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BU of 4xqd by Molmil
X-ray structure analysis of xylanase-WT at pH4.0
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION
著者Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
登録日2015-01-19
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
2IKG
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BU of 2ikg by Molmil
Aldose reductase complexed with nitrophenyl-oxadiazol type inhibitor at 1.43 A
分子名称: 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Steuber, H, Koch, C, Heine, A, Klebe, G.
登録日2006-10-02
公開日2007-05-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution
J.Mol.Biol., 368, 2007
6SNQ
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BU of 6snq by Molmil
Crystal structures of human PGM1 isoform 2
分子名称: 6-O-phosphono-alpha-D-glucopyranose, Phosphoglucomutase-1, ZINC ION
著者Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M.
登録日2019-08-27
公開日2020-04-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily.
Sci Rep, 10, 2020
6G0W
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BU of 6g0w by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor MCD72
分子名称: 4-[3-[4-(4-fluorophenyl)piperidin-1-yl]carbonylphenoxy]benzamide, Poly [ADP-ribose] polymerase 14
著者Karlberg, T, Thorsell, A.G, Holechek, J, Lease, R, Ferraris, D, Schuler, H.
登録日2018-03-20
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Design, synthesis and evaluation of potent and selective inhibitors of mono-(ADP-ribosyl)transferases PARP10 and PARP14.
Bioorg. Med. Chem. Lett., 28, 2018
6D78
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BU of 6d78 by Molmil
The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide
分子名称: Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ...
著者Hellman, L.M, Singh, N.K.
登録日2018-04-24
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
6SWH
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BU of 6swh by Molmil
Crystal structure of the ternary complex between the type 1 pilus proteins FimC, FimI and FimA from E. coli
分子名称: 1,2-ETHANEDIOL, Chaperone protein FimC, DI(HYDROXYETHYL)ETHER, ...
著者Giese, C, Puorger, C, Ignatov, O, Weber, M, Scharer, M.A, Capitani, G, Glockshuber, R.
登録日2019-09-20
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Comprehensive kinetic characterization of bacterial pilus rod assembly and assembly termination
To Be Published
6GA4
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BU of 6ga4 by Molmil
Bacteriorhodopsin, 1 ps state, real-space refined against 15% extrapolated map
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GAD
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BU of 6gad by Molmil
BACTERIORHODOPSIN, 530 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
5LNH
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BU of 5lnh by Molmil
Structure of full length Unliganded CodY from Bacillus subtilis
分子名称: GTP-sensing transcriptional pleiotropic repressor CodY, SULFATE ION
著者Wilkinson, A.J, Levdikov, V.M, Blagova, E.V.
登録日2016-08-04
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017
1F03
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BU of 1f03 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
登録日2000-05-14
公開日2000-06-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
6G7K
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BU of 6g7k by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 10 ps state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
4EJ7
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BU of 4ej7 by Molmil
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, ATP-bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aminoglycoside 3'-phosphotransferase AphA1-IAB, CALCIUM ION, ...
著者Stogios, P.J, Minasov, G, Tan, K, Evdokimova, E, Egorova, O, Di Leo, R, Shakya, T, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-04-06
公開日2012-04-18
最終更新日2013-09-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance.
Biochem.J., 454, 2013
5LFN
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BU of 5lfn by Molmil
Crystal structure of human chondroadherin
分子名称: CHLORIDE ION, Chondroadherin
著者Ramisch, S, Pramhed, A, Logan, D.T.
登録日2016-07-03
公開日2016-12-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human chondroadherin: solving a difficult molecular-replacement problem using de novo models.
Acta Crystallogr D Struct Biol, 73, 2017
6GA2
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BU of 6ga2 by Molmil
Bacteriorhodopsin, dark state, cell 2
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
6GA9
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BU of 6ga9 by Molmil
BACTERIORHODOPSIN, 390 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I.
登録日2018-04-11
公開日2019-04-24
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
1F04
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BU of 1f04 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
登録日2000-05-14
公開日2000-06-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
5LYQ
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BU of 5lyq by Molmil
Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator.
分子名称: (2~{R})-6,6,9,9-tetramethylspiro[3,4,7,8-tetrahydrobenzo[g]chromene-2,2'-3,4-dihydrochromene]-6'-carboxylic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha
著者Andrei, S.A, Ottmann, C.
登録日2016-09-28
公開日2017-04-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Designed Spiroketal Protein Modulation.
Angew. Chem. Int. Ed. Engl., 56, 2017
4XD5
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BU of 4xd5 by Molmil
Phosphotriesterase variant R2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R2, ...
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
8CV5
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BU of 8cv5 by Molmil
Peptide 4.2B in complex with BRD3.2
分子名称: ACETYL GROUP, AMINO GROUP, Bromodomain-containing protein 3, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
6GEQ
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BU of 6geq by Molmil
Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP121A1 in complex with Triazole Pyrazole inhibitor 14a
分子名称: 1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-carboxamide, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.W.
登録日2018-04-27
公開日2019-08-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and Synthesis of Imidazole and Triazole Pyrazoles asMycobacterium TuberculosisCYP121A1 Inhibitors.
Chemistryopen, 8, 2019
8CV7
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BU of 8cv7 by Molmil
Peptide 2.2E in complex with BRD2-BD2
分子名称: ACETYL GROUP, AMINO GROUP, Isoform 3 of Bromodomain-containing protein 2, ...
著者Franck, C, Mackay, J.P.
登録日2022-05-18
公開日2023-05-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins.
Structure, 31, 2023
6DM0
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BU of 6dm0 by Molmil
Open state GluA2 in complex with STZ and blocked by IEM-1460, after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ...
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018

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