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7XT3
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BU of 7xt3 by Molmil
Crystal Structure of Hepatitis virus A 2C protein 128-335 aa
Descriptor: Genome polyprotein, PHOSPHATE ION
Authors:Chen, P, Wojdyla, J.A, Li, Z, Wang, M, Cui, S.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA.
Nucleic Acids Res., 50, 2022
6T0R
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BU of 6t0r by Molmil
Bat Influenza A polymerase product dissociation complex using 44-mer vRNA template with mutated oligo(U) sequence
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
6BZU
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BU of 6bzu by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody 19B3
Descriptor: 19B3 Heavy Chain, 19B3 Light Chain, E2 AS412 peptide
Authors:Tzarum, N, Aleman, F, Kong, L, Wilson, I.A, Law, M.
Deposit date:2017-12-26
Release date:2018-06-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BZY
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BU of 6bzy by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the 22D11 broadly neutralizing antibody
Descriptor: 22D11 Heavy Chain, 22D11 Light Chain, E2 AS412 peptide
Authors:Tzarum, N, Aleman, F, Wilson, I.A, Law, M.
Deposit date:2017-12-26
Release date:2018-06-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Immunogenetic and structural analysis of a class of HCV broadly neutralizing antibodies and their precursors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4YAJ
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BU of 4yaj by Molmil
Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 (apo form)
Descriptor: SODIUM ION, alpha subunit of Acetyl-coenzyme A synthetase (dinucleotide-forming) 3, beta subunit of Acetyl-coenzyme A synthetase (dinucleotide-forming) 3
Authors:Weisse, R.H.-J, Scheidig, A.J.
Deposit date:2015-02-17
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer.
Proc.Natl.Acad.Sci.USA, 113, 2016
5MUK
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BU of 5muk by Molmil
Glycoside Hydrolase BT3686
Descriptor: Neuraminidase
Authors:Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J.
Deposit date:2017-01-13
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Unusual active site location and catalytic apparatus in a glycoside hydrolase family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6OQI
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BU of 6oqi by Molmil
CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine)
Descriptor: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2
Authors:Murray, J.M.
Deposit date:2019-04-26
Release date:2020-07-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
9C88
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Cryo-EM Structure of a Proteolytic ClpXP AAA+ Machine Translocating a Portion of a Branched-Degron DHFR Substrate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
Authors:Ghanbarpour, A, Sauer, R.T, Davis, J.H.
Deposit date:2024-06-12
Release date:2024-10-16
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:A proteolytic AAA+ machine poised to unfold protein substrates.
Nat Commun, 15, 2024
8I71
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BU of 8i71 by Molmil
Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM)
Descriptor: 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2023-01-30
Release date:2023-03-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
J.Med.Chem., 66, 2023
8UFH
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BU of 8ufh by Molmil
Acinetobacter baylyi LptB2FG bound to Acinetobacter baylyi lipopolysaccharide and a macrocyclic peptide
Descriptor: (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxynonanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldodecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, (7S,10S,13S,17P)-10-(4-aminobutyl)-7-(3-aminopropyl)-17-(6-aminopyridin-3-yl)-20-chloro-13-[(1H-indol-3-yl)methyl]-12-methyl-6,7,9,10,12,13,15,16-octahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecine-8,11,14(5H)-trione, LPS export ABC transporter permease LptG, ...
Authors:Pahil, K.S, Gilman, M.S.A, Baidin, V, Kruse, A.C, Kahne, D.
Deposit date:2023-10-04
Release date:2024-01-03
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A new antibiotic traps lipopolysaccharide in its intermembrane transporter.
Nature, 625, 2024
6T0U
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BU of 6t0u by Molmil
Bat Influenza A polymerase product dissociation complex using 44-mer vRNA template with intact oligo(U) sequence
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-03
Release date:2020-04-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
5MQH
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BU of 5mqh by Molmil
Structure of the Phosphatase Domain of the Cell Fate Determinant SpoIIE from Bacillus subtilis in a crystal form without domain swapping
Descriptor: Serine phosphatase
Authors:Levdikov, V.M, Wilkinson, A.J, Blagova, E.V.
Deposit date:2016-12-20
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A widespread family of serine/threonine protein phosphatases shares a common regulatory switch with proteasomal proteases.
Elife, 6, 2017
6CG8
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BU of 6cg8 by Molmil
Structure of C. crescentus GapR-DNA
Descriptor: DNA (5'-D(*TP*TP*AP*AP*AP*AP*TP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*TP*TP*TP*TP*AP*A)-3'), UPF0335 protein B7Z12_12435
Authors:Schumacher, M.A.
Deposit date:2018-02-19
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:A Bacterial Chromosome Structuring Protein Binds Overtwisted DNA to Stimulate Type II Topoisomerases and Enable DNA Replication.
Cell, 175, 2018
5Z05
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BU of 5z05 by Molmil
Crystal structure of signalling protein from buffalo (SPB-40) with an acetone induced conformation of Trp78 at 1.49 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONE, ...
Authors:Singh, P.K, Chaudhary, A, Tyagi, T.K, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2017-12-18
Release date:2018-01-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A glycoprotein from mammary gland secreted during involution promotes apoptosis: Structural and biological studies
Arch. Biochem. Biophys., 644, 2018
6TVB
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BU of 6tvb by Molmil
Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
Deposit date:2020-01-09
Release date:2020-10-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
8FE2
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BU of 8fe2 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine A
Descriptor: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
8CH3
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BU of 8ch3 by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine C-like
Descriptor: 2-O-phosphono-alpha-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-06
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CKE
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BU of 8cke by Molmil
PBP AccA from A.tumefaciens C58 in complex with agrocinopine A in space group I222
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-15
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CH1
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BU of 8ch1 by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine A
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-06
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
6BWF
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BU of 6bwf by Molmil
4.1 angstrom Mg2+-unbound structure of mouse TRPM7
Descriptor: TRPM7
Authors:Zhang, J, Li, Z, Duan, J, Abiria, S.A, Clapham, D.E.
Deposit date:2017-12-14
Release date:2018-08-15
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8CKD
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BU of 8ckd by Molmil
PBP AccA from A. fabrum C58 in complex with agrocinopine D-like
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-15
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
7KU1
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BU of 7ku1 by Molmil
Data clustering and dynamics of chymotrypsinogen cluster 139 (green) structure
Descriptor: Chymotrypsinogen A, SULFATE ION
Authors:Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J.
Deposit date:2020-11-24
Release date:2021-03-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs.
Acta Crystallogr D Struct Biol, 78, 2022
4LUN
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BU of 4lun by Molmil
Structure of the N-terminal mIF4G domain from S. cerevisiae Upf2, a protein involved in the degradation of mRNAs containing premature stop codons
Descriptor: CHLORIDE ION, Nonsense-mediated mRNA decay protein 2
Authors:Fourati, Z, Roy, B, Millan, C, Courreux, P.D, Kervestin, S, van Tilbeurgh, H, He, F, Uson, I, Jacobson, A, Graille, M.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:A highly conserved region essential for NMD in the Upf2 N-terminal domain.
J.Mol.Biol., 426, 2014
6TVD
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BU of 6tvd by Molmil
Crystal structure of the haemagglutinin from a H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue, 3'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
Deposit date:2020-01-09
Release date:2020-10-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6D0H
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BU of 6d0h by Molmil
ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS
Descriptor: GLYCEROL, ParS: COG5642 (DUF2384) antitoxin, ParT: COG5654 (RES domain) toxin
Authors:Piscotta, F.J, Jeffrey, P.D, Link, A.J.
Deposit date:2018-04-10
Release date:2019-01-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ParST is a widespread toxin-antitoxin module that targets nucleotide metabolism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

238582

数据于2025-07-09公开中

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