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4X6B
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BU of 4x6b by Molmil
BK6 TCR apo structure
Descriptor: TCR alpha, TCR beta
Authors:Birkinshaw, R.W, Rossjohn, J.
Deposit date:2014-12-07
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands.
Nat.Immunol., 16, 2015
5WMS
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BU of 5wms by Molmil
Phosphotriesterase variant S7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-31
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Phosphotriesterase variant S7
To Be Published
5Z8Z
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BU of 5z8z by Molmil
BRD4 Bromodomain 1 with an inhibitor
Descriptor: 6-[(3S)-3-azanylpiperidin-1-yl]sulfonyl-1-ethyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4
Authors:Xiao, S, Chen, S, Chen, H.
Deposit date:2018-02-01
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:BRD4 Bromodomain 1 with an inhibitor
To Be Published
4X8E
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BU of 4x8e by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N,N-trimethyl-histidine
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4X7R
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BU of 4x7r by Molmil
Crystal structure of S. aureus TarM G117R mutant in complex with Fondaparinux, alpha-GlcNAc-glycerol and UDP
Descriptor: (2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, TarM, ...
Authors:Worrall, L.J, Sobhanifar, S, Strynadka, N.C.
Deposit date:2014-12-09
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and mechanism of Staphylococcus aureus TarM, the wall teichoic acid alpha-glycosyltransferase.
Proc.Natl.Acad.Sci.USA, 112, 2015
5Z99
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BU of 5z99 by Molmil
Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi with Neu5Ac
Descriptor: N-acetyl-beta-neuraminic acid, Putative ABC transporter periplasmic binding protein
Authors:Subramanian, R, Setty, T.G.
Deposit date:2018-02-02
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Molecular characterization of the interaction of sialic acid with the periplasmic binding protein fromHaemophilus ducreyi.
J. Biol. Chem., 293, 2018
4X86
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BU of 4x86 by Molmil
Crystal structure of BAG6-Ubl4a complex
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Large proline-rich protein BAG6, SULFATE ION, ...
Authors:Kuwabara, N, Kato, R.
Deposit date:2014-12-10
Release date:2015-02-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a BAG6 (Bcl-2-associated Athanogene 6)-Ubl4a (Ubiquitin-like Protein 4a) Complex Reveals a Novel Binding Interface That Functions in Tail-anchored Protein Biogenesis
J.Biol.Chem., 290, 2015
4X8C
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BU of 4x8c by Molmil
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147
Descriptor: CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone
Authors:Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
4X8I
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BU of 4x8i by Molmil
de novo crystal structure of the Pyrococcus Furiosus TET3 aminopeptidase
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, COBALT (II) ION, ...
Authors:Colombo, M.
Deposit date:2014-12-10
Release date:2016-02-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Tuned by metals: the TET peptidase activity is controlled by 3 metal binding sites.
Sci Rep, 6, 2016
4Y5X
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BU of 4y5x by Molmil
Diabody 305 complex with EpoR
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, Erythropoietin receptor, ...
Authors:Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
Deposit date:2015-02-12
Release date:2015-03-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
5ZG4
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BU of 5zg4 by Molmil
Crystal Structure of Triosephosphate isomerase SAD deletion mutant from Opisthorchis viverrini
Descriptor: Triosephosphate isomerase
Authors:Son, J, Kim, S, Kim, S.E, Lee, H, Lee, M.R, Hwang, K.Y.
Deposit date:2018-03-07
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.746 Å)
Cite:Structural Analysis of an Epitope Candidate of Triosephosphate Isomerase in Opisthorchis viverrini.
Sci Rep, 8, 2018
5ZLN
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BU of 5zln by Molmil
Crystal structure of mouse TLR9 in complex with two DNAs (CpG DNA and TCGCCA DNA)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*AP*GP*GP*CP*GP*TP*TP*TP*TP*T)-3'), ...
Authors:Ishida, H, Ohto, U, Shimizu, T.
Deposit date:2018-03-28
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for species-specific activation of mouse Toll-like receptor 9
FEBS Lett., 592, 2018
4YBV
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BU of 4ybv by Molmil
Crystal Structure of mutant of (Q32A) thioesterase enzyme SAV0944 from Staphylococcus aureus subsp. aureus Mu50
Descriptor: Uncharacterized protein
Authors:Khandokar, Y.B, Srivastava, P, Forwood, J.
Deposit date:2015-02-19
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of mutant of (Q32A) hypothetical protein SAV0944 from Staphylococcus aureus subsp. aureus Mu50
To Be Published
5ZJB
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BU of 5zjb by Molmil
Structure of N-acetylmannosamine-6-phosphate-2-epimerase from Vibrio cholerae
Descriptor: DI(HYDROXYETHYL)ETHER, MALONATE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
Authors:Manjunath, L, Guntupalli, S.
Deposit date:2018-03-19
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
4YEJ
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BU of 4yej by Molmil
Tailspike protein double mutant D339A/E372Q of E. coli bacteriophage HK620 in complex with pentasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-02-24
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
5ZJQ
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BU of 5zjq by Molmil
Structure of AbdB/Exd complex bound to a 'Red14' DNA sequence
Descriptor: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*TP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*AP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
Authors:Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
Deposit date:2018-03-22
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.443 Å)
Cite:Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
5ZKN
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BU of 5zkn by Molmil
Structure of N-acetylmannosamine-6-phosphate 2-epimerase from Fusobacterium nucleatum
Descriptor: CHLORIDE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
Authors:Manjunath, L.
Deposit date:2018-03-24
Release date:2018-09-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
5ZMA
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BU of 5zma by Molmil
Structural basis for an allosteric Eya2 phosphatase inhibitor
Descriptor: 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide, Eyes absent homolog 2
Authors:Anantharajan, J, Jansson, A.E, Kang, C.
Deposit date:2018-04-02
Release date:2019-06-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.175 Å)
Cite:Structural and Functional Analyses of an Allosteric EYA2 Phosphatase Inhibitor That Has On-Target Effects in Human Lung Cancer Cells.
Mol.Cancer Ther., 18, 2019
5ZLV
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BU of 5zlv by Molmil
DNA polymerase IV - DNA ternary complex with 50mM MgCl2
Descriptor: DIPHOSPHATE, DNA polymerase IV, DTN1, ...
Authors:Kottur, J, Nair, D.T.
Deposit date:2018-03-29
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Pyrophosphate hydrolysis is an intrinsic and critical step of the DNA synthesis reaction
Nucleic Acids Res., 46, 2018
5ZMS
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BU of 5zms by Molmil
Crystal structure of Zika NS3 protease in complex with 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H
Descriptor: 4-guanidinomethyl-phenylacetyl-Lys-Lys-Arg-H, NS3 protease, Serine protease subunit NS2B
Authors:Phoo, W.W, Wirawan, M.
Deposit date:2018-04-05
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Zika virus NS2B-NS3 protease in complex with peptidomimetic inhibitors.
Antiviral Res., 160, 2018
5ZNI
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BU of 5zni by Molmil
Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine
Descriptor: Mefloquine, PHOSPHATE ION, Purine nucleoside phosphorylase
Authors:Chen, D, Nordlund, P, Dziekan, J.M.
Deposit date:2018-04-09
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019
5ZNK
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BU of 5znk by Molmil
Crystal structure of a bacterial ProRS with ligands
Descriptor: 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ...
Authors:Cheng, B, Yu, Y, Zhou, H.
Deposit date:2018-04-09
Release date:2019-05-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
4YR1
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BU of 4yr1 by Molmil
Crystal Structure of E. Coli Alkaline Phosphatase D101A/D153A in complex with inorganic phosphate
Descriptor: Alkaline phosphatase, GLYCEROL, PHOSPHATE ION, ...
Authors:Peck, A, Herschlag, D.
Deposit date:2015-03-13
Release date:2015-04-29
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Extensive site-directed mutagenesis reveals interconnected functional units in the Alkaline Phosphatase active site.
Elife, 4, 2015
4YRI
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BU of 4yri by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
Descriptor: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRR
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BU of 4yrr by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)acetamide (Chem 1691)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015

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数据于2024-07-17公开中

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