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4F5L
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BU of 4f5l by Molmil
A Theoretical Optimized Mutant for the Conversion of Substrate Specificity and Activity of Aspartate Aminotransferase to Tyrosine Aminotransferase: Chimera P7.
分子名称: 1,2-ETHANEDIOL, Aspartate aminotransferase
著者Addington, T.A, Fisher, A.J, Toney, M.D.
登録日2012-05-13
公開日2013-05-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Janus: an algorithm for ranking functional importance of residues from protein sequence alignments.
To be Published
3QQR
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BU of 3qqr by Molmil
Crystal structure of Parasponia hemoglobin; Differential Heme Coordination is Linked to Quaternary Structure
分子名称: 1,4-DIETHYLENE DIOXIDE, Non-legume hemoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Kakar, S, Sturms, R, Savage, A, Nix, J.C, Dispirito, A, Hargrove, M.S.
登録日2011-02-16
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structures of Parasponia and Trema hemoglobins: differential heme coordination is linked to quaternary structure.
Biochemistry, 50, 2011
2DHY
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BU of 2dhy by Molmil
Solution Structure of the CUE Domain in the Human CUE Domain Containing Protein 1 (CUEDC1)
分子名称: CUE domain-containing protein 1
著者Zhao, C, Kigawa, T, Sato, M, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-03-27
公開日2006-09-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of the CUE Domain in the Human CUE Domain Containing Protein 1 (CUEDC1)
To be Published
3AOX
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X-ray crystal structure of human anaplastic lymphoma kinase in complex with CH5424802
分子名称: 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, ALK tyrosine kinase receptor
著者Nagel, S, Moertl, M, Jestel, A, Fukami, T.A.
登録日2010-10-08
公開日2011-05-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献CH5424802, a selective ALK inhibitor capable of blocking the resistant gatekeeper mutant
Cancer Cell, 19, 2011
3PAE
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BU of 3pae by Molmil
Crystal structure of the K84D mutant of OXA-24/40 in complex with doripenem
分子名称: (4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, SULFATE ION
著者Powers, R.A, Leonard, D.A, Schneider, K.D.
登録日2010-10-19
公開日2011-01-19
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of the Class D Carbapenemase OXA-24 from Acinetobacter baumannii in Complex with Doripenem.
J.Mol.Biol., 406, 2011
4KET
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BU of 4ket by Molmil
Crystal structure of SsoPox W263I
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
登録日2013-04-26
公開日2013-10-02
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
3WF3
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BU of 3wf3 by Molmil
Crystal structure of human beta-galactosidase mutant I51T in complex with Galactose
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
著者Suzuki, H, Ohto, U, Shimizu, T.
登録日2013-07-16
公開日2014-04-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of pharmacological chaperoning for human beta-galactosidase
to be published
3RCI
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BU of 3rci by Molmil
Human cyclophilin D complexed with 5-methyl-1,2-oxazol-3-amine
分子名称: 5-methyl-1,2-oxazol-3-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F.
登録日2011-03-31
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
3RL8
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BU of 3rl8 by Molmil
Crystal structure of hDLG1-PDZ2 complexed with APC
分子名称: 11-mer peptide from Adenomatous polyposis coli protein, Disks large homolog 1
著者Zhang, Z, Li, H, Wu, G.
登録日2011-04-19
公開日2011-12-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis for the recognition of adenomatous polyposis coli by the Discs Large 1 protein.
Plos One, 6, 2011
7KNN
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BU of 7knn by Molmil
Solution structure of the alpha-conotoxin analogue [2-8]-alkyne Vc1.1
分子名称: Alpha-conotoxin Vc1a
著者MacRaild, C.A, Robinson, S.D, Chhabra, S, Norton, R.S.
登録日2020-11-05
公開日2021-09-15
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Alkyne-Bridged alpha-Conotoxin Vc1.1 Potently Reverses Mechanical Allodynia in Neuropathic Pain Models.
J.Med.Chem., 64, 2021
1OXH
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BU of 1oxh by Molmil
The crystal structure of beta-ketoacyl-[acyl carrier protein] synthase II from Streptococcus Pneumoniae, Triclinic form
分子名称: Beta ketoacyl-acyl carrier protein synthase, MAGNESIUM ION
著者Price, A.C, Rock, C.O, White, S.W.
登録日2003-04-02
公開日2003-04-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The 1.3-Angstrom-Resolution Crystal Structure of beta-Ketoacyl-Acyl Carrier Protein Synthase II from Streptococcus pneumoniae.
J.Bacteriol., 185, 2003
3ICF
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BU of 3icf by Molmil
Structure of Protein serine/threonine phosphatase from Saccharomyces cerevisiae with similarity to human phosphatase PP5
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ...
著者Singer, A.U, Xu, X, Chang, C, Cui, H, Kagan, O, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-17
公開日2009-08-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of Protein serine/threonine phosphatase from Saccharomyces cerevisiae with similarity to human phosphatase PP5
To be Published
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
分子名称: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
著者Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
登録日2003-04-07
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
1XYF
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ENDO-1,4-BETA-XYLANASE FROM STREPTOMYCES OLIVACEOVIRIDIS
分子名称: ENDO-1,4-BETA-XYLANASE
著者Fujimoto, Z, Mizuno, H, Kuno, A, Kusakabe, I.
登録日1999-05-11
公開日2000-05-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Streptomyces olivaceoviridis E-86 beta-xylanase containing xylan-binding domain.
J.Mol.Biol., 300, 2000
1P3R
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BU of 1p3r by Molmil
Crystal structure of the phosphotyrosin binding domain(PTB) of mouse Disabled 1(Dab1)
分子名称: Disabled homolog 2
著者Yun, M, Keshvara, L, Park, C.G, Zhang, Y.M, Dickerson, J.B, Zheng, J, Rock, C.O, Curran, T, Park, H.W.
登録日2003-04-18
公開日2003-08-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the Dab homology domains of mouse disabled 1 and 2.
J.Biol.Chem., 278, 2003
5ESO
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BU of 5eso by Molmil
Crystal Structure of M. tuberculosis MenD with ThDP, Mg2+ and Isochorismate bound
分子名称: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, BETA-MERCAPTOETHANOL, ...
著者Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N.
登録日2015-11-16
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
7GNJ
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BU of 7gnj by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-976a33d5-1 (Mpro-P2724)
分子名称: 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
1XOQ
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Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast
分子名称: 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ...
著者Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J.
登録日2004-10-06
公開日2004-12-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
2AEH
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Focal adhesion kinase 1
分子名称: Focal adhesion kinase 1
著者Ceccarelli, D.F, Song, H.K, Poy, F, Schaller, M.D, Eck, M.J.
登録日2005-07-22
公開日2005-10-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal Structure of the FERM Domain of Focal Adhesion Kinase
J.Biol.Chem., 281, 2006
4MHY
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Crystal structure of a glutaminyl cyclase from Ixodes scapularis in complex with PBD150
分子名称: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, Glutaminyl cyclase, putative, ...
著者Huang, K.F, Hsu, H.L, Wang, A.H.J.
登録日2013-08-30
公開日2014-03-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural and functional analyses of a glutaminyl cyclase from Ixodes scapularis reveal metal-independent catalysis and inhibitor binding.
Acta Crystallogr.,Sect.D, 70, 2014
6MTT
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Crystal structure of VRC46.01 Fab in complex with gp41 peptide
分子名称: Antibody VRC46.01 Fab heavy chain, Antibody VRC46.01 Fb light chain, RV217 founder virus gp41 peptide
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Veradi, R, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
3MQP
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Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide, Northeast Structural Genomics Consortium Target HR2930
分子名称: Bcl-2-related protein A1, Phorbol-12-myristate-13-acetate-induced protein 1
著者Guan, R, Xiao, R, Zhao, L, Acton, T.B, Gelinas, C, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2010-04-28
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide
To be Published
3RC0
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Human SETD6 in complex with RelA Lys310 peptide
分子名称: 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ...
著者Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X.
登録日2011-03-30
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
2ZKD
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Crystal structure of the SRA domain of mouse Np95 in complex with hemi-methylated CpG DNA
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(*DCP*DTP*DAP*DCP*DCP*DGP*DGP*DAP*DTP*DTP*DGP*DC)-3'), ...
著者Arita, K, Ariyoshi, M, Tochio, H, Nakamura, Y, Shirakawa, M.
登録日2008-03-19
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition of hemi-methylated DNA by the SRA protein UHRF1 by a base-flipping mechanism
Nature, 455, 2008
1QL0
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Sm Endonuclease from Seratia marcenscens at atomic resolution
分子名称: MAGNESIUM ION, NUCLEASE
著者Perbandt, M, Mikhailov, A.M, Betzel, C.H.
登録日1999-08-18
公開日2000-05-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic Structure of the Serratia Marcescens Endonuclease at 1.1 A Resolution and the Enzyme Reaction Mechanism.
Acta Crystallogr.,Sect.D, 56, 2000

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