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4DQP
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BU of 4dqp by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and ddCTP (paired with dG of template)
Descriptor: 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'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-16
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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+
Descriptor: 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'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-18
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Fukui, K, Yano, T.
Deposit date:2021-11-02
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.38 Å)
Cite: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
Descriptor: GLYCEROL, SULFATE ION, broad specificity amino acid racemase
Authors:Wang, W.C, Wu, H.M.
Deposit date:2012-02-29
Release date:2013-03-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of lysine-preferred racemases, the non-antibiotic selectable markers for transgenic plants
Plos One, 7, 2012
4NP8
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BU of 4np8 by Molmil
Structure of an amyloid forming peptide VQIVYK from the second repeat region of tau (alternate polymorph)
Descriptor: Microtubule-associated protein tau
Authors:Landau, M, Eisenberg, D, Sawaya, M.R, Dannenberg, J, Kobko, N.
Deposit date:2013-11-20
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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
Descriptor: 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2010-06-04
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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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BU of 7u2h by Molmil
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
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Polikanov, Y.S.
Deposit date:2022-02-24
Release date:2022-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Murdolo, L.D, Szeto, C, Gras, S.
Deposit date:2022-01-18
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 7u0s by Molmil
Crystal Structure of FK506-binding protein 1A from Aspergillus fumigatus Bound to Ascomycin
Descriptor: (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, ...
Authors: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)
Deposit date:2022-02-18
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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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BU of 7u0t by Molmil
Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520
Descriptor: (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, ...
Authors: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)
Deposit date:2022-02-18
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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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BU of 7u0u by Molmil
Crystal Structure of a Aspergillus fumigatus Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, PHOSPHATE ION, ...
Authors: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)
Deposit date:2022-02-18
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: SODIUM ION, SULFATE ION, ice-binding protein
Authors:Do, H, Kim, S.J, Lee, S.G, Park, H, Kim, H.J, Lee, J.H.
Deposit date:2013-12-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.399 Å)
Cite: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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BU of 7voc by Molmil
The crystal structure of a Radical SAM Enzyme BlsE involved in the Biosynthesis of Blasticidin S
Descriptor: (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, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2021-10-13
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62005424 Å)
Cite: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
Descriptor: CHLORIDE ION, Cytosylglucuronate decarboxylase, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2021-10-13
Release date:2022-05-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.092241 Å)
Cite: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
Descriptor: 2',3'- cyclic AMP, Flax rust resistance protein
Authors:Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
Deposit date:2021-11-01
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: ANAEROBIC NITRIC OXIDE REDUCTASE FLAVORUBREDOXIN, CHLORIDE ION, FE (III) ION, ...
Authors:Romao, C.V, Vicente, J.B, Bandeiras, T, Carrondo, M.A, Teixeira, M, Frazao, C.
Deposit date:2014-04-23
Release date:2014-09-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.755 Å)
Cite: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
Descriptor: 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')
Authors:An, Y, Chan, H.Y.E, Ngo, J.C.K.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Gaur, V, Chanana, V, Salunke, D.M.
Deposit date:2010-09-23
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor: MAJOR CAPSID PROTEIN
Authors:Gipson, P, Baker, M.L, Raytcheva, D, Haase-Pettingell, C, Piret, J, King, J, Chiu, W.
Deposit date:2013-05-09
Release date:2014-05-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite: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
Descriptor: 11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2022-03-30
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Skene, R.J, Bell, J.A.
Deposit date:2022-03-11
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (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, ...
Authors:Skene, R.J, Bell, J.A.
Deposit date:2022-03-11
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite: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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BU of 7ujc by Molmil
Raloxifene in Complex with Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutation
Descriptor: Estrogen receptor, RALOXIFENE
Authors:Hosfield, D.J, Greene, G.L, Fanning, S.W.
Deposit date:2022-03-30
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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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BU of 7uj8 by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor
Authors:Hosfield, D.J, Greene, G.L, Fanning, S.W.
Deposit date:2022-03-30
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.385 Å)
Cite: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.
Descriptor: 3-(2-CARBOXYETHYL)BENZOIC ACID, FKBO
Authors:Juneja, P, Hubrich, F, Diederichs, K, Welte, W, Andexer, J.N.
Deposit date:2013-05-28
Release date:2013-09-18
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.081 Å)
Cite:Mechanistic Implications for the Chorismatase Fkbo Based on the Crystal Structure.
J.Mol.Biol., 426, 2014

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