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6JWG
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BU of 6jwg by Molmil
Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Formate dehydrogenase, GLYCEROL
著者Feng, Y, Guo, X, Xue, S, Zhao, Z.
登録日2019-04-20
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.081 Å)
主引用文献Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
5CCP
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BU of 5ccp by Molmil
HISTIDINE 52 IS A CRITICAL RESIDUE FOR RAPID FORMATION OF CYTOCHROME C PEROXIDASE COMPOUND I
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Brown, K, Shaw, A, Miller, M.A, Kraut, J.
登録日1993-06-07
公開日1993-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histidine 52 is a critical residue for rapid formation of cytochrome c peroxidase compound I.
Biochemistry, 32, 1993
3ME9
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BU of 3me9 by Molmil
Crystal structure of SGF29 in complex with H3K4me3 peptide
分子名称: GLYCEROL, Histone H3, SAGA-associated factor 29 homolog, ...
著者Bian, C, Tempel, W, Xu, C, Guo, Y, Dong, A, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
3TZD
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BU of 3tzd by Molmil
Crystal structure of the complex of Human Chromobox Homolog 3 (CBX3)
分子名称: Chromobox protein homolog 3, Histone H1.4
著者Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
登録日2011-09-27
公開日2012-03-07
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis of the chromodomain of Cbx3 bound to methylated peptides from histone h1 and G9a.
Plos One, 7, 2012
3SRQ
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BU of 3srq by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
3MEA
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BU of 3mea by Molmil
Crystal structure of the SGF29 in complex with H3K4me3
分子名称: Histone H3, SAGA-associated factor 29 homolog
著者Bian, C, Xu, C, Tempel, W, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
5DD6
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BU of 5dd6 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570.mut58 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570.mut58 FAB LIGHT CHAIN
著者Nicely, N.I, Pemble IV, C.W, Haynes, B.F.
登録日2015-08-24
公開日2016-05-11
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
3SRS
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BU of 3srs by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
5V0Y
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BU of 5v0y by Molmil
Solution structure of arenicin-3.
分子名称: arenicin-3
著者Edwards, I.A, Mobli, M.
登録日2017-02-28
公開日2018-08-08
最終更新日2020-06-10
実験手法SOLUTION NMR
主引用文献An amphipathic peptide with antibiotic activity against multidrug-resistant Gram-negative bacteria
Nat Commun, 2020
3SRU
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BU of 3sru by Molmil
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
分子名称: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hilgers, M.
登録日2011-07-07
公開日2011-08-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.
Bioorg.Med.Chem.Lett., 21, 2011
4RKG
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BU of 4rkg by Molmil
Structure of the MSL2 CXC domain bound with a non-specific (GC)6 DNA
分子名称: DNA (5'-D(*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*C)-3'), E3 ubiquitin-protein ligase msl-2, ZINC ION
著者Zheng, S, Ye, K.
登録日2014-10-13
公開日2015-01-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation.
Genes Dev., 28, 2014
5DD3
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BU of 5dd3 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570.4 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570.4 FAB LIGHT CHAIN
著者Nicely, N.I, Pemble IV, C.W, Haynes, B.F.
登録日2015-08-24
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
7LFM
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BU of 7lfm by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, TRICLINIC CELL, REFINED AT 1.60 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7LFL
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BU of 7lfl by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, VAL MUTANT, MONOCLINIC CELL, REFINED AT 1.60 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2022-12-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7LFK
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BU of 7lfk by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, THR MUTANT, REFINED AT 1.60 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7LFJ
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BU of 7lfj by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE, ALA MUTANT, REFINED AT 1.70 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
7LFI
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BU of 7lfi by Molmil
MODEL OF MHC CLASS Ib H2-M3 WITH MOUSE ND1 N-TERMINAL HEPTAPEPTIDE REFINED AT 1.70 ANGSTROMS RESOLUTION
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
著者Tomchick, D.R, Deisenhofer, J, Shen, S.
登録日2021-01-17
公開日2021-07-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and dynamics of major histocompatibility class Ib molecule H2-M3 complexed with mitochondrial-derived peptides.
J.Biomol.Struct.Dyn., 40, 2022
3EMG
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BU of 3emg by Molmil
Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK)
分子名称: 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide, Tyrosine-protein kinase SYK
著者Ter Haar, E.
登録日2008-09-24
公開日2008-12-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK).
Bioorg.Med.Chem.Lett., 18, 2008
4JMH
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BU of 4jmh by Molmil
Crystal structure of synthetic protein in complex with double pY peptide
分子名称: Clamp Shc1_pY239/240, SHC-transforming protein 1
著者Yasui, N, Smith, L, Koide, S.
登録日2013-03-14
公開日2014-04-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.408 Å)
主引用文献Directed network wiring identifies a key protein interaction in embryonic stem cell differentiation.
Mol.Cell, 54, 2014
5YZW
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BU of 5yzw by Molmil
Crystal structure of p204 HINb domain
分子名称: Ifi204
著者Jin, T.
登録日2017-12-15
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural mechanism of DNA recognition by the p204 HIN domain.
Nucleic Acids Res., 2021
4N39
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BU of 4n39 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26)
分子名称: Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
著者Lazarus, M.B, Herr, W, Walker, S.
登録日2013-10-06
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4Q1B
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BU of 4q1b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 7 {N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide}
分子名称: Deoxycytidine kinase, N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q1D
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BU of 4q1d by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
分子名称: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4N3B
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BU of 4n3b by Molmil
Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26)E10Q and UDP-5SGlcNAc
分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
著者Lazarus, M.B, Herr, W, Walker, S.
登録日2013-10-06
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4QLC
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Crystal structure of chromatosome at 3.5 angstrom resolution
分子名称: CITRIC ACID, DNA (167-mer), H5, ...
著者Jiang, J.S, Zhou, B.R, Xiao, T.S, Bai, Y.W.
登録日2014-06-11
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.503 Å)
主引用文献Structural Mechanisms of Nucleosome Recognition by Linker Histones.
Mol.Cell, 33 Suppl 1, 2015

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