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4XPE
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BU of 4xpe by Molmil
Crystal structure of 5'-CTTATGGGCCCATAAG in a host-guest complex
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*TP*TP*AP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*TP*AP*AP*G)-3'), ...
Authors:Georgiadis, M.M, Singh, I.
Deposit date:2015-01-16
Release date:2015-05-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis for a six nucleotide genetic alphabet.
J. Am. Chem. Soc., 137, 2015
4XLE
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BU of 4xle by Molmil
Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620 in complex with hexasaccharide
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:2015-01-13
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XMR
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BU of 4xmr by Molmil
Crystal structure of the sensory domain of the Campylobacter jejuni chemoreceptor Tlp3 (CcmL) with isoleucine bound.
Descriptor: ISOLEUCINE, Putative methyl-accepting chemotaxis signal transduction protein, SULFATE ION
Authors:Roujeinikova, A, Liu, Y.C, Machuca, M.A.
Deposit date:2015-01-15
Release date:2015-11-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for amino-acid recognition and transmembrane signalling by tandem Per-Arnt-Sim (tandem PAS) chemoreceptor sensory domains.
Acta Crystallogr.,Sect.D, 71, 2015
5Y2J
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BU of 5y2j by Molmil
Crystal structure of the oligomerization domain of NSP4 from rotavirus strain MF66
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, Nonstructural protein 4
Authors:Suguna, K, Kumar, S.
Deposit date:2017-07-26
Release date:2018-03-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:New tetrameric forms of the rotavirus NSP4 with antiparallel helices.
Arch. Virol., 163, 2018
5YBQ
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BU of 5ybq by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A2
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
4XTJ
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BU of 4xtj by Molmil
N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl plus 100 mM NaCl condition
Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ...
Authors:Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M.
Deposit date:2015-01-23
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The role of monovalent cations in the ATPase reaction of DNA gyrase
Acta Crystallogr.,Sect.D, 71, 2015
5Y7P
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BU of 5y7p by Molmil
Bile salt hydrolase from lactobacillus salivarius complex with glycocholic acid and cholic acid
Descriptor: 1,2-ETHANEDIOL, Bile salt hydrolase, CHOLIC ACID, ...
Authors:Hu, X.-J.
Deposit date:2017-08-17
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the bile salt hydrolase from lactobacillus salivarius complex with glycocholic acid and cholic acid
To Be Published
4XUL
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BU of 4xul by Molmil
Crystal structure of M. chilensis Mg662 protein complexed with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
Authors:Lartigue, A, Priet, S, Claverie, J.M, Abergel, C.
Deposit date:2015-01-26
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of M. chilensis Mg662 protein complexed with GTP
To Be Published
5YE9
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BU of 5ye9 by Molmil
The crystal structure of Lp-PLA2 in complex with a novel inhibitor
Descriptor: N-[4-[(3-cyano-4-naphthalen-2-yloxy-phenyl)sulfamoyl]phenyl]ethanamide, Platelet-activating factor acetylhydrolase, SULFATE ION
Authors:Liu, Q.F, Xu, Y.C.
Deposit date:2017-09-15
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.876 Å)
Cite:Structure-Guided Discovery of Novel, Potent, and Orally Bioavailable Inhibitors of Lipoprotein-Associated Phospholipase A2.
J. Med. Chem., 60, 2017
5YFW
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BU of 5yfw by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and AMP
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
5YGA
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BU of 5yga by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate, AMP and GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, ADENOSINE MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
4XYL
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BU of 4xyl by Molmil
Ca. Korarchaeum cryptofilum ACD1 in complex with coenzyme A
Descriptor: CHLORIDE ION, COENZYME A, alpha subunit of Acyl-CoA synthetase (NDP forming), ...
Authors:Weisse, R.H.-J, Scheidig, A.J.
Deposit date:2015-02-02
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y0X
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BU of 4y0x by Molmil
Crystal structure of the S/T protein kinase PknG from Mycobacterium tuberculosis in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase PknG, ...
Authors:Lisa, M.N, Alzari, P.M.
Deposit date:2015-02-06
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Molecular Basis of the Activity and the Regulation of the Eukaryotic-like S/T Protein Kinase PknG from Mycobacterium tuberculosis.
Structure, 23, 2015
5YG6
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BU of 5yg6 by Molmil
Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate and GMP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-di-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Gogoi, P, Kanaujia, S.P.
Deposit date:2017-09-22
Release date:2018-02-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A presumed homologue of the regulatory subunits of eIF2B functions as ribose-1,5-bisphosphate isomerase in Pyrococcus horikoshii OT3.
Sci Rep, 8, 2018
4Y19
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BU of 4y19 by Molmil
immune complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FS18_alpha, FS18_beta, ...
Authors:Beringer, D.X, Petersen, J, Reid, H.H, Rossjohn, J.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex.
Nat.Immunol., 16, 2015
5YK9
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BU of 5yk9 by Molmil
Crystal structure of selenomethionine-labelled indole prenyltransferase AmbP1
Descriptor: AmbP1
Authors:Awakawa, T, Nakashima, Y, Liu, X, Abe, I.
Deposit date:2017-10-12
Release date:2018-06-06
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Molecular Insight into the Mg2+-Dependent Allosteric Control of Indole Prenylation by Aromatic Prenyltransferase AmbP1
Angew. Chem. Int. Ed. Engl., 57, 2018
5YIN
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BU of 5yin by Molmil
Hen egg-white lysozyme precipitant-free orthorhombic form
Descriptor: Lysozyme C
Authors:Suzuki, Y, Tsuge, H, Uehara, Y.
Deposit date:2017-10-06
Release date:2018-07-25
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Precipitant-free lysozyme crystals grown by centrifugal concentration reveal structural changes
CRYST.GROWTH DES., 2018
5YLF
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BU of 5ylf by Molmil
MCR-1 complex with D-glucose
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-D-glucopyranose
Authors:Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
Deposit date:2017-10-17
Release date:2017-11-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
4XKW
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BU of 4xkw by Molmil
Tailspike protein mutant D339N 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:2015-01-12
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
4XLA
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BU of 4xla by Molmil
Tailspike protein mutant D339A 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:2015-01-13
Release date:2016-01-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
5YJB
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BU of 5yjb by Molmil
LSD1-CoREST in complex with 4-[5-(piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile
Descriptor: 4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Sato, S, Hashimoto, T, Matsuno, K, Umehara, T.
Deposit date:2017-10-10
Release date:2018-07-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Crystal Structure of LSD1 in Complex with 4-[5-(Piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile.
Molecules, 23, 2018
4XM3
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BU of 4xm3 by Molmil
Tailspike protein mutant E372A 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:2015-01-14
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
5YOF
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BU of 5yof by Molmil
Crystal structure of zika virus NS3 protease in complex with a dipeptide inhibitor
Descriptor: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, NS2B cofactor, NS3 Protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2017-10-27
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
4XMQ
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BU of 4xmq by Molmil
Crystal structure of the sensory domain of the Campylobacter jejuni chemoreceptor Tlp3 (CcmL)
Descriptor: Putative methyl-accepting chemotaxis signal transduction protein, SULFATE ION
Authors:Roujeinikova, A, Liu, Y.C, Machuca, M.A.
Deposit date:2015-01-15
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for amino-acid recognition and transmembrane signalling by tandem Per-Arnt-Sim (tandem PAS) chemoreceptor sensory domains.
Acta Crystallogr.,Sect.D, 71, 2015
4XN3
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BU of 4xn3 by Molmil
Tailspike protein mutant E372A of E. coli bacteriophage HK620 in complex with hexasaccharide
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:2015-01-15
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published

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