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6AS8
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BU of 6as8 by Molmil
F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside
Descriptor: Fml fimbrial adhesin FmlD, ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside
Authors:Kalas, V, Hultgren, S.J.
Deposit date:2017-08-23
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection.
Proc.Natl.Acad.Sci.USA, 115, 2018
6ATS
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BU of 6ats by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin kappa-KTx 1.2
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
5C2L
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BU of 5c2l by Molmil
Magnesium soaked into the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Descriptor: Anthranilate phosphoribosyltransferase, IMIDAZOLE, MAGNESIUM ION
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-06-16
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP
To Be Published
6AUP
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BU of 6aup by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
5F48
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BU of 5f48 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with coenzyme A
Descriptor: CHLORIDE ION, COENZYME A, MAGNESIUM ION, ...
Authors:Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-03
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
8A23
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BU of 8a23 by Molmil
Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in complex with TO383
Descriptor: (2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2'-O-methyltransferase nsp16, GLYCEROL, ...
Authors:Hanigovsky, M, Krafcikova, P, Klima, M, Boura, E.
Deposit date:2022-06-02
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 methyltransferase in complex with TO383
To Be Published
6B1C
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BU of 6b1c by Molmil
Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a)
Descriptor: 2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one, Macrophage migration inhibitory factor, SULFATE ION
Authors:Krimmer, S.G, Robertson, M.J, Jorgensen, W.L.
Deposit date:2017-09-18
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.163 Å)
Cite:Adding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
ACS Med Chem Lett, 8, 2017
5BXZ
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BU of 5bxz by Molmil
H17 Bat Influenza NS1 RNA Binding Domain
Descriptor: Non-structural protein 1
Authors:Kerry, P.S, Hale, B.G.
Deposit date:2015-06-09
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel Bat Influenza Virus NS1 Proteins Bind Double-Stranded RNA and Antagonize Host Innate Immunity.
J.Virol., 89, 2015
5BY1
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BU of 5by1 by Molmil
H18 Bat Influenza NS1 RNA Binding Domain
Descriptor: DI(HYDROXYETHYL)ETHER, Non-structural protein 1, PENTAETHYLENE GLYCOL
Authors:Kerry, P.S, Hale, B.G.
Deposit date:2015-06-09
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Novel Bat Influenza Virus NS1 Proteins Bind Double-Stranded RNA and Antagonize Host Innate Immunity.
J.Virol., 89, 2015
5EXS
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BU of 5exs by Molmil
AAA+ ATPase FleQ from Pseudomonas aeruginosa bound to ATP-gamma-S
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transcriptional regulator FleQ
Authors:Navarro, M.V.A.S, Sondermann, H, Matsuyama, B.
Deposit date:2015-11-24
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic insights into c-di-GMP-dependent control of the biofilm regulator FleQ from Pseudomonas aeruginosa.
Proc.Natl.Acad.Sci.USA, 113, 2016
4X2X
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BU of 4x2x by Molmil
Crystal structure of the Murine Norovirus NS6 protease (inactive C139A mutant) with a C-terminal extension to include residues P1 prime - P4 prime of NS7
Descriptor: NS6 protease
Authors:Leen, E.N, Cromwell Jr, H, Fernandes, H, Curry, S.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.472 Å)
Cite:Structure determination of Murine Norovirus NS6 proteases with C-terminal extensions designed to probe protease-substrate interactions.
Peerj, 3, 2015
6B07
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BU of 6b07 by Molmil
Crystal structure of CfFPPS2, a lepidopteran type-II farnesyl diphosphate synthase, complexed with [1-phosphono-2-(1-propylpyridin-2-yl)ethyl]phosphonic acid (inhibitor 1d)
Descriptor: 1,2-ETHANEDIOL, 2-(2,2-diphosphonoethyl)-1-propylpyridin-1-ium, Farnesyl diphosphate synthase, ...
Authors:Picard, M.-E, Cusson, M, Shi, R.
Deposit date:2017-09-13
Release date:2017-12-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural characterization of a lepidopteran type-II farnesyl diphosphate synthase from the spruce budworm, Choristoneura fumiferana: Implications for inhibitor design.
Insect Biochem. Mol. Biol., 92, 2017
5C94
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BU of 5c94 by Molmil
Infectious bronchitis virus nsp9
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-structural protein 9
Authors:Chen, C, Dou, Y, Yang, H, Su, D.
Deposit date:2015-06-26
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural basis for dimerization and RNA binding of avian infectious bronchitis virus nsp9.
Protein Sci., 26, 2017
5C9K
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BU of 5c9k by Molmil
Crystal structure of a highly fibrillogenic Arg24Gly mutant of the Recombinant variable domain 6AJL2
Descriptor: ACETATE ION, Amyloid lambda 6 light chain variable region PIP
Authors:Hernandez-Santoyo, A, Rodriguez-Romero, A, Luna-Martinez, O.D, Becerril-Lujan, B.
Deposit date:2015-06-27
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Mutating amyloidogenic lambda6 light chain AR back to germline 6aJL2
To Be Published
5C7I
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BU of 5c7i by Molmil
Mouse sperm Glyceraldehyde-3-phosphate dehydrogenase: apo enzyme
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase, testis-specific
Authors:Danshina, P, Betts, L, O'Brien, D.
Deposit date:2015-06-24
Release date:2016-03-09
Last modified:2016-06-15
Method:X-RAY DIFFRACTION (2.0098 Å)
Cite:Structural analyses to identify selective inhibitors of glyceraldehyde 3-phosphate dehydrogenase-S, a sperm-specific glycolytic enzyme.
Mol. Hum. Reprod., 22, 2016
6AYN
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BU of 6ayn by Molmil
Structure of cetuximab with aminoheptanoic acid-linked N-(3-aminopropyl)-L-arginine meditope variant
Descriptor: Cetuximab Fab heavy chain, Cetuximab Fab light chain, Cyclic meditope
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2017-09-08
Release date:2017-12-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Meditope-Fab interaction: threading the hole.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6AZK
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BU of 6azk by Molmil
Structure of cetuximab with aminoheptanoic acid-linked N-(3-hydroxypropyl)-L-arginine meditope variant
Descriptor: SULFATE ION, cetuximab Fab heavy chain, cetuximab Fab light chain, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2017-09-11
Release date:2017-12-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.477 Å)
Cite:Meditope-Fab interaction: threading the hole.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7ZV0
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BU of 7zv0 by Molmil
Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'F,2'dAMP)
Descriptor: 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine, Stimulator of interferon protein
Authors:Klima, M, Smola, M, Boura, E.
Deposit date:2022-05-13
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'F,2'dAMP)
To Be Published
8A2X
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BU of 8a2x by Molmil
Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP(S)-2'F,2'dAMP(S))
Descriptor: 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine, Stimulator of interferon protein
Authors:Klima, M, Smola, M, Boura, E.
Deposit date:2022-06-06
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP(S)-2'F,2'dAMP(S))
To Be Published
4XCW
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BU of 4xcw by Molmil
Crystal structure of molybdenum cofactor biosynthesis protein MogA from Helicobacter pylori str. J99
Descriptor: Molybdopterin adenylyltransferase
Authors:Stogios, P.J, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-12-18
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:To be published
To Be Published
6ATY
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BU of 6aty by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: GLYCEROL, Venom protein 51.1
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-29
Release date:2018-08-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
To Be Published
7AHR
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BU of 7ahr by Molmil
Enzyme of biosynthetic pathway
Descriptor: 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL
Authors:Archna, A, Breithaupt, C, Stubbs, M.T.
Deposit date:2020-09-25
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
2BZ0
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BU of 2bz0 by Molmil
Crystal Structure of E. coli GTP cyclohydrolase II in complex with GTP analogue, GMPcPP, and Zinc
Descriptor: GTP CYCLOHYDROLASE II, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Ren, J, Kotaka, M, Lockyer, M, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2005-08-09
Release date:2005-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:GTP Cyclohydrolase II Structure and Mechanism.
J.Biol.Chem., 280, 2005
4XJ8
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BU of 4xj8 by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 5.0 in 50mM sodium Acetate with DMSO
Descriptor: Sialidase B
Authors:Brear, P.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.749 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
5C7S
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BU of 5c7s by Molmil
PRPP complexed with two Mn2+ in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MANGANESE (II) ION
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-06-24
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP
To Be Published

224004

数据于2024-08-21公开中

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