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7PVU
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BU of 7pvu by Molmil
Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1
分子名称: Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide
著者Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
登録日2021-10-05
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
7O86
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1.73A X-ray crystal structure of the conserved C-terminal (CCT) of human SPAK
分子名称: CALCIUM ION, MAGNESIUM ION, SODIUM ION, ...
著者Elvers, K.T, Bax, B.D, Lipka-Lloyd, M, Mehellou, Y.
登録日2021-04-14
公開日2021-09-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains.
Chembiochem, 23, 2022
7AMN
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Structure of LuxR with DNA (repression)
分子名称: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
著者Liu, B, Reverter, D.
登録日2020-10-09
公開日2021-03-31
最終更新日2021-04-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
8PEK
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BU of 8pek by Molmil
Structure of the dimeric, periplasmic domain of ExbD
分子名称: Biopolymer transport protein ExbD
著者Zinke, M, Bardiaux, B, Izadi-Pruneyre, N.
登録日2023-06-14
公開日2023-09-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Ton motor conformational switch and peptidoglycan role in bacterial nutrient uptake.
Nat Commun, 15, 2024
6V1M
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Structure of NDM-1 bound to QPX7728 at 1.05 A
分子名称: (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Pemberton, O.A, Chen, Y.
登録日2019-11-20
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
7TF7
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BU of 7tf7 by Molmil
S. aureus GS(12) - apo
分子名称: Glutamine synthetase
著者Travis, B.A, Peck, J, Schumacher, M.A.
登録日2022-01-06
公開日2022-06-29
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.13 Å)
主引用文献Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
Nat Commun, 13, 2022
7AHM
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BU of 7ahm by Molmil
Low-resolution structure of the K+/H+ antiporter subunit KhtT in complex with c-di-AMP
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, K(+)/H(+) antiporter subunit KhtT
著者Cereija, T.B, Guerra, J.P, Morais-Cabral, J.H.
登録日2020-09-24
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献c-di-AMP, a likely master regulator of bacterial K + homeostasis machinery, activates a K + exporter.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ALF
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BU of 7alf by Molmil
The dimethylated RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0
分子名称: Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ...
著者Ramberg, K, Engilberge, S, Crowley, P.B.
登録日2020-10-06
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.261 Å)
主引用文献Facile Fabrication of Protein-Macrocycle Frameworks.
J.Am.Chem.Soc., 143, 2021
8SSK
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BU of 8ssk by Molmil
Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains
分子名称: ACETATE ION, CALCIUM ION, Contact-dependent inhibitor A, ...
著者Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Nhan, D.Q.
登録日2023-05-08
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains
To Be Published
5F4Z
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BU of 5f4z by Molmil
The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus
分子名称: (1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
著者Tan, K, Li, H, Jedrzejczak, R, BABNIGG, G, BINGMAN, C.A, YENNAMALLI, R, LOHMAN, J, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-12-03
公開日2016-02-17
最終更新日2020-09-23
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus
To Be Published
8Q2C
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BU of 8q2c by Molmil
Crystal structure of the E. coli PqiC Lipoprotein
分子名称: Intermembrane transport lipoprotein PqiC
著者Cooper, B.F, Ratkeviciute, G.R, Knowles, T.J.
登録日2023-08-02
公開日2023-09-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献An octameric PqiC toroid stabilises the outer-membrane interaction of the PqiABC transport system.
Embo Rep., 25, 2024
5KQ2
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BU of 5kq2 by Molmil
Crystal structure of the A357D variant of catalase-peroxidase from B. pseudomallei
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-07-05
公開日2017-04-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
7NTE
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BU of 7nte by Molmil
The structure of an open conformation of the SBP TarP_Csal
分子名称: MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-09
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
6V5F
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BU of 6v5f by Molmil
L-asparaginase from Escherichia coli
分子名称: ASPARTIC ACID, L-asparaginase 2, SUCCINIC ACID
著者Souza, T.A.C.B, Morais, S.B, Morini, F.S, Meissner, G.O.
登録日2019-12-04
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献L-asparaginase from Escherichia coli: Novel insights about the behavior of flexible part of the active site
To Be Published
8DFK
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BU of 8dfk by Molmil
X-ray crystal structure of Bacillus subtilis ComEA
分子名称: ComE operon protein 1
著者Ahmed, I, Khaja, F.T, Neiditch, M.B.
登録日2022-06-22
公開日2022-12-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure-function studies reveal ComEA contains an oligomerization domain essential for transformation in gram-positive bacteria.
Nat Commun, 13, 2022
5I33
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BU of 5i33 by Molmil
Unligated adenylosuccinate synthetase from Cryptococcus neoformans
分子名称: Adenylosuccinate synthetase
著者Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B.
登録日2016-02-09
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans.
Acs Infect Dis., 2, 2016
6J1T
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BU of 6j1t by Molmil
Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue
分子名称: (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
7KMD
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BU of 7kmd by Molmil
Crystal structure of a HIV-1 clade C isolate Du172.17 HR1.R4.664 Env trimer in complex with human Fabs PGT124 and 35O22
分子名称: 124 Heavy chain, 124 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kumar, S, Wilson, I.A.
登録日2020-11-02
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.39228582 Å)
主引用文献Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
7AL0
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BU of 7al0 by Molmil
Crystal Structure of Heymonin, a Novel Frog-derived Peptide
分子名称: CHLORIDE ION, Heymonin
著者Kascakova, B, Prudnikova, T, Kuta Smatanova, I, Xu, X.
登録日2020-10-03
公開日2021-04-21
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization and functional analysis of cathelicidin-MH, a novel frog-derived peptide with anti-septicemic properties.
Elife, 10, 2021
8PEJ
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BU of 8pej by Molmil
CjGH35 with a Galactosidase Activity-Based Probe
分子名称: (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ...
著者Offen, W.A, Davies, G.J.
登録日2023-06-14
公開日2023-10-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe.
Org.Biomol.Chem., 21, 2023
8PE3
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BU of 8pe3 by Molmil
Structure of Csm6' from Streptococcus thermophilus in complex with cyclic hexa-adenylate (cA6)
分子名称: CRISPR system endoribonuclease Csm6', Cyclic hexaadenosine monophosphate (cA6), RNA
著者McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M.
登録日2023-06-13
公開日2023-10-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open.
Nucleic Acids Res., 51, 2023
7AUU
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BU of 7auu by Molmil
Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1-nose mutant in complex with InsP6
分子名称: Diphosphoinositol polyphosphate phosphohydrolase DDP1,Diphosphoinositol polyphosphate phosphohydrolase DDP1, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION
著者Marquez-Monino, M.A, Gonzalez, B.
登録日2020-11-03
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
5IO3
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Crystal structure of the legionella pneumophila effector protein RavZ - I422
分子名称: Uncharacterized protein RavZ
著者Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K.
登録日2016-03-08
公開日2016-11-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane
Autophagy, 13, 2017
7AUT
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BU of 7aut by Molmil
Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 mutation K63A
分子名称: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase DDP1, MAGNESIUM ION
著者Marquez-Monino, M.A, Ortega-Garcia, R, Gonzalez, B.
登録日2020-11-03
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
7AUO
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Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PA-InsP8
分子名称: Diphosphoinositol polyphosphate phosphohydrolase DDP1, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
著者Marquez-Monino, M.A, Gonzalez, B.
登録日2020-11-03
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021

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