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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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Formate dehydrogenase, GLYCEROL
Authors:Feng, Y, Guo, X, Xue, S, Zhao, Z.
Deposit date:2019-04-20
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.081 Å)
Cite: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
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Brown, K, Shaw, A, Miller, M.A, Kraut, J.
Deposit date:1993-06-07
Release date:1993-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: GLYCEROL, Histone H3, SAGA-associated factor 29 homolog, ...
Authors: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)
Deposit date:2010-03-31
Release date:2010-04-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite: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)
Descriptor: Chromobox protein homolog 3, Histone H1.4
Authors: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)
Deposit date:2011-09-27
Release date:2012-03-07
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: 1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
Descriptor: Histone H3, SAGA-associated factor 29 homolog
Authors: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)
Deposit date:2010-03-31
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite: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
Descriptor: ANTI-HIV ANTIBODY DH570.mut58 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570.mut58 FAB LIGHT CHAIN
Authors:Nicely, N.I, Pemble IV, C.W, Haynes, B.F.
Deposit date:2015-08-24
Release date:2016-05-11
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.699 Å)
Cite: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
Descriptor: 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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.
Descriptor: arenicin-3
Authors:Edwards, I.A, Mobli, M.
Deposit date:2017-02-28
Release date:2018-08-08
Last modified:2020-06-10
Method:SOLUTION NMR
Cite: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
Descriptor: Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.
Deposit date:2011-07-07
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: DNA (5'-D(*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*C)-3'), E3 ubiquitin-protein ligase msl-2, ZINC ION
Authors:Zheng, S, Ye, K.
Deposit date:2014-10-13
Release date:2015-01-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: ANTI-HIV ANTIBODY DH570.4 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570.4 FAB LIGHT CHAIN
Authors:Nicely, N.I, Pemble IV, C.W, Haynes, B.F.
Deposit date:2015-08-24
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.797 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
Authors:Tomchick, D.R, Deisenhofer, J, Shen, S.
Deposit date:2021-01-17
Release date:2021-07-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
Authors:Tomchick, D.R, Deisenhofer, J, Shen, S.
Deposit date:2021-01-17
Release date:2021-07-14
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
Authors:Tomchick, D.R, Deisenhofer, J, Shen, S.
Deposit date:2021-01-17
Release date:2021-07-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
Authors:Tomchick, D.R, Deisenhofer, J, Shen, S.
Deposit date:2021-01-17
Release date:2021-07-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Heptapeptide from NADH-ubiquinone oxidoreductase chain 1, ...
Authors:Tomchick, D.R, Deisenhofer, J, Shen, S.
Deposit date:2021-01-17
Release date:2021-07-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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)
Descriptor: 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
Authors:Ter Haar, E.
Deposit date:2008-09-24
Release date:2008-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Clamp Shc1_pY239/240, SHC-transforming protein 1
Authors:Yasui, N, Smith, L, Koide, S.
Deposit date:2013-03-14
Release date:2014-04-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.408 Å)
Cite: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
Descriptor: Ifi204
Authors:Jin, T.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.001 Å)
Cite: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)
Descriptor: Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
Authors:Lazarus, M.B, Herr, W, Walker, S.
Deposit date:2013-10-06
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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}
Descriptor: Deoxycytidine kinase, N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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}
Descriptor: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (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
Authors:Lazarus, M.B, Herr, W, Walker, S.
Deposit date:2013-10-06
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4QLC
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BU of 4qlc by Molmil
Crystal structure of chromatosome at 3.5 angstrom resolution
Descriptor: CITRIC ACID, DNA (167-mer), H5, ...
Authors:Jiang, J.S, Zhou, B.R, Xiao, T.S, Bai, Y.W.
Deposit date:2014-06-11
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Structural Mechanisms of Nucleosome Recognition by Linker Histones.
Mol.Cell, 33 Suppl 1, 2015

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数据于2024-07-10公开中

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