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4DQP
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Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and ddCTP (paired with dG of template)
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-02-16
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4DSE
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BU of 4dse by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment F710Y, DNA duplex, and rCTP (paired with dG of template) in presence of Mg2+
分子名称: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
著者Wang, W, Beese, L.S.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
7VUK
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BU of 7vuk by Molmil
Crystal Structure of the core region of Thermus thermophilus MutS2 complexed with ADP.
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Fukui, K, Yano, T.
登録日2021-11-02
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Structural and functional insights into the mechanism by which MutS2 recognizes a DNA junction.
Structure, 30, 2022
4DYJ
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BU of 4dyj by Molmil
Crystal structure of a broad specificity amino acid racemase (Bar) within internal aldimine linkage
分子名称: GLYCEROL, SULFATE ION, broad specificity amino acid racemase
著者Wang, W.C, Wu, H.M.
登録日2012-02-29
公開日2013-03-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of lysine-preferred racemases, the non-antibiotic selectable markers for transgenic plants
Plos One, 7, 2012
4NP8
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Structure of an amyloid forming peptide VQIVYK from the second repeat region of tau (alternate polymorph)
分子名称: Microtubule-associated protein tau
著者Landau, M, Eisenberg, D, Sawaya, M.R, Dannenberg, J, Kobko, N.
登録日2013-11-20
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
3NCG
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BU of 3ncg by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor NM-PP1
分子名称: 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-06-04
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
7U2H
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Gly-NH-tRNAgly, aminoacylated P-site fMet-NH-tRNAmet, and deacylated E-site tRNAgly at 2.55A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
登録日2022-02-24
公開日2022-07-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural basis for the inability of chloramphenicol to inhibit peptide bond formation in the presence of A-site glycine.
Nucleic Acids Res., 50, 2022
7TLT
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BU of 7tlt by Molmil
SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
著者Murdolo, L.D, Szeto, C, Gras, S.
登録日2022-01-18
公開日2022-10-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3.
Nat Commun, 13, 2022
7U0S
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Crystal Structure of FK506-binding protein 1A from Aspergillus fumigatus Bound to Ascomycin
分子名称: (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, ACETATE ION, FK506-binding protein 1A, ...
著者DeBouver, N.D, Fox III, D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-18
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
7U0T
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Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520
分子名称: (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Fox III, D, Mayclin, S.J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
7U0U
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Crystal Structure of a Aspergillus fumigatus Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-506
分子名称: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, PHOSPHATE ION, ...
著者Fox III, D, Abendroth, J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-02-18
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
4NU3
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BU of 4nu3 by Molmil
Crystal structure of mFfIBP, a capping head region swapped mutant of ice-binding protein
分子名称: SODIUM ION, SULFATE ION, ice-binding protein
著者Do, H, Kim, S.J, Lee, S.G, Park, H, Kim, H.J, Lee, J.H.
登録日2013-12-03
公開日2014-04-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Structure-based characterization and antifreeze properties of a hyperactive ice-binding protein from the Antarctic bacterium Flavobacterium frigoris PS1
Acta Crystallogr.,Sect.D, 70, 2014
7VOC
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The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
分子名称: (2~{S},3~{S},4~{S},5~{R},6~{R})-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid, Cytosylglucuronate decarboxylase, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2021-10-13
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.62005424 Å)
主引用文献Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
7VOB
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BU of 7vob by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
分子名称: CHLORIDE ION, Cytosylglucuronate decarboxylase, GLYCEROL, ...
著者Hou, X.L, Zhou, J.H.
登録日2021-10-13
公開日2022-05-04
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.092241 Å)
主引用文献Radical S -Adenosyl Methionine Enzyme BlsE Catalyzes a Radical-Mediated 1,2-Diol Dehydration during the Biosynthesis of Blasticidin S.
J.Am.Chem.Soc., 144, 2022
7VU8
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BU of 7vu8 by Molmil
L7-Tir domain with bound ligand
分子名称: 2',3'- cyclic AMP, Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2021-11-01
公開日2022-06-01
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
4D02
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BU of 4d02 by Molmil
The crystallographic structure of Flavorubredoxin from Escherichia coli
分子名称: ANAEROBIC NITRIC OXIDE REDUCTASE FLAVORUBREDOXIN, CHLORIDE ION, FE (III) ION, ...
著者Romao, C.V, Vicente, J.B, Bandeiras, T, Carrondo, M.A, Teixeira, M, Frazao, C.
登録日2014-04-23
公開日2014-09-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献Structure of Escherichia Coli Flavodiiron Nitric Oxide Reductase.
J.Mol.Biol., 428, 2016
7VFT
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BU of 7vft by Molmil
Crystal structure of rGGGC(CAG)5GUCC oligo
分子名称: RNA (5'-R(*GP*GP*GP*CP*CP*AP*GP*CP*AP*GP*CP*AP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*C)-3')
著者An, Y, Chan, H.Y.E, Ngo, J.C.K.
登録日2021-09-13
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Molecular insights into the interaction of CAG trinucleotide RNA repeats with nucleolin and its implication in polyglutamine diseases.
Nucleic Acids Res., 50, 2022
3OYO
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BU of 3oyo by Molmil
Crystal structure of hemopexin fold protein CP4 from cow pea
分子名称: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
著者Gaur, V, Chanana, V, Salunke, D.M.
登録日2010-09-23
公開日2011-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of a haemopexin-fold protein from cow pea (Vigna unguiculata) suggests functional diversity of haemopexins in plants
Acta Crystallogr.,Sect.F, 67, 2011
4BML
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BU of 4bml by Molmil
C-alpha backbone trace of major capsid protein gp39 found in marine virus Syn5.
分子名称: MAJOR CAPSID PROTEIN
著者Gipson, P, Baker, M.L, Raytcheva, D, Haase-Pettingell, C, Piret, J, King, J, Chiu, W.
登録日2013-05-09
公開日2014-05-21
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Protruding Knob-Like Proteins Violate Local Symmetries in an Icosahedral Marine Virus.
Nat.Commun., 5, 2014
7UJ7
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BU of 7uj7 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with RU39411
分子名称: 11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol, Estrogen receptor
著者Fanning, S.W, Greene, G.L.
登録日2022-03-30
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7U9S
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BU of 7u9s by Molmil
Crystal structure of human D-amino acid oxidase in complex with inhibitor
分子名称: 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Skene, R.J, Bell, J.A.
登録日2022-03-11
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
7U9U
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Crystal structure of human D-amino acid oxidase in complex with inhibitor
分子名称: (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ...
著者Skene, R.J, Bell, J.A.
登録日2022-03-11
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
7UJC
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Raloxifene in Complex with Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutation
分子名称: Estrogen receptor, RALOXIFENE
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7UJ8
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Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen
分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor
著者Hosfield, D.J, Greene, G.L, Fanning, S.W.
登録日2022-03-30
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
4BPS
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BU of 4bps by Molmil
Crystal structure of Chorismatase at 1.08 Angstrom resolution.
分子名称: 3-(2-CARBOXYETHYL)BENZOIC ACID, FKBO
著者Juneja, P, Hubrich, F, Diederichs, K, Welte, W, Andexer, J.N.
登録日2013-05-28
公開日2013-09-18
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (1.081 Å)
主引用文献Mechanistic Implications for the Chorismatase Fkbo Based on the Crystal Structure.
J.Mol.Biol., 426, 2014

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