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6SB0
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BU of 6sb0 by Molmil
cryo-EM structure of mTORC1 bound to PRAS40-fused active RagA/C GTPases
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Proline-rich AKT1 substrate 1, ...
Authors:Anandapadamanaban, M, Berndt, A, Masson, G.R, Perisic, O, Williams, R.L.
Deposit date:2019-07-18
Release date:2019-10-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Architecture of human Rag GTPase heterodimers and their complex with mTORC1.
Science, 366, 2019
6VAA
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BU of 6vaa by Molmil
Structure of the Fanconi Anemia ID complex bound to ICL DNA
Descriptor: DNA (26-MER), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
6SLR
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BU of 6slr by Molmil
Structure of saposin B in complex with atovaquone
Descriptor: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, GLYCEROL, Prosaposin
Authors:Zubieta, C, Milliken, B, Doyle, R.
Deposit date:2019-08-20
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of saposin B in complex with atovaquone
To Be Published
6SK1
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BU of 6sk1 by Molmil
Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus in complex with coenzyme A
Descriptor: ACETATE ION, COENZYME A, L-2,4-diaminobutyric acid acetyltransferase
Authors:Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J.
Deposit date:2019-08-14
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
4HSQ
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BU of 4hsq by Molmil
Crystal Structure of Domains D2 and D3 of the Major Pilin SpaD from Corynebacterium diphtheriae
Descriptor: CALCIUM ION, Putative fimbrial subunit
Authors:Paterson, N.G, Kang, H.J, Baker, E.N.
Deposit date:2012-10-30
Release date:2013-11-13
Last modified:2014-06-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:A slow-forming isopeptide bond in the structure of the major pilin SpaD from Corynebacterium diphtheriae has implications for pilus assembly.
Acta Crystallogr.,Sect.D, 70, 2014
6VAF
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BU of 6vaf by Molmil
Structure of mono-ubiquitinated FANCD2 bound to non-ubiquitinated FANCI and to DNA
Descriptor: DNA (29-MER), Fanconi anemia group D2 protein, Fanconi anemia, ...
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
4I33
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BU of 4i33 by Molmil
Crystal structure of HCV NS3/4A R155K protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9001 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
6SBI
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BU of 6sbi by Molmil
X-ray structure of murine Fumarylacetoacetate hydrolase domain containing protein 1 (FAHD1) in complex with inhibitor oxalate
Descriptor: Acylpyruvase FAHD1, mitochondrial, CHLORIDE ION, ...
Authors:Rupp, B, Naschberger, A, Weiss, A.K.H.
Deposit date:2019-07-21
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and functional comparison of fumarylacetoacetate domain containing protein 1 in human and mouse.
Biosci.Rep., 40, 2020
6SCF
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BU of 6scf by Molmil
A viral anti-CRISPR subverts type III CRISPR immunity by rapid degradation of cyclic oligoadenylate
Descriptor: Uncharacterized protein, cyclic oligoadenylate
Authors:McMahon, S.A, Athukoralage, J.S, Graham, S, White, M.F, Gloster, T.M.
Deposit date:2019-07-24
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:An anti-CRISPR viral ring nuclease subverts type III CRISPR immunity.
Nature, 577, 2020
6PED
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BU of 6ped by Molmil
Crystal structure of HEMK2-TRMT112 complex
Descriptor: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2019-06-20
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of HEMK2-TRMT112 complex
To Be Published
6UX0
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BU of 6ux0 by Molmil
Isavuconazole bound complex of Acanthamoeba castellanii CYP51
Descriptor: 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile, FE (III) ION, Obtusifoliol 14alphademethylase, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2019-11-06
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
3IFJ
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BU of 3ifj by Molmil
Crystal structure of Mtu recA intein, splicing domain
Descriptor: Endonuclease PI-MtuI, ZINC ION
Authors:Van Roey, P, Belfort, M.
Deposit date:2009-07-24
Release date:2009-10-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Selection and structure of hyperactive inteins: peripheral changes relayed to the catalytic center.
J.Mol.Biol., 393, 2009
6SLS
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BU of 6sls by Molmil
Flavin-dependent tryptophan 6-halogenase Thal in complex with FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Moritzer, A, Niemann, H.H.
Deposit date:2019-08-20
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Binding of FAD and tryptophan to the tryptophan 6-halogenase Thal is negatively coupled.
Protein Sci., 28, 2019
6PBA
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BU of 6pba by Molmil
Structure of ClpC1-NTD
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpC1
Authors:Abad-Zapatero, C, Wolf, N.M.
Deposit date:2019-06-13
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
4I31
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BU of 4i31 by Molmil
Crystal structure of HCV NS3/NS4A protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9301 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
6SMF
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BU of 6smf by Molmil
THE CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM ZYMOMONAS MOBILIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, CITRATE ANION, ...
Authors:Lapthorn, A.J, Roszak, A.W.
Deposit date:2019-08-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.343 Å)
Cite:Biomacromolecular charge chirality detected using chiral plasmonic nanostructures
Nanoscale Horiz., 2020
6PBQ
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BU of 6pbq by Molmil
Structure of ClpC1-NTD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ATP-dependent Clp protease ATP-binding subunit ClpC1, PHOSPHATE ION
Authors:Abad-Zapatero, C, Wolf, N.M.
Deposit date:2019-06-14
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
6SP6
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BU of 6sp6 by Molmil
Ultra-high Resolution Crystal Structure of the CTX-M-15 Extended-Spectrum beta-Lactamase in Complex with Taniborbactam (VNRX-5133)
Descriptor: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
Deposit date:2019-08-31
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
6UPU
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BU of 6upu by Molmil
Crystal structure of the Orientia tsutsugamushi OtDUB in complex with three molecules of ubiquitin
Descriptor: ULP_PROTEASE domain-containing protein, Ubiquitin
Authors:Lim, C.S, Ronau, J.A, Xiong, Y.
Deposit date:2019-10-18
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020
4IAC
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BU of 4iac by Molmil
X-RAY structure of cAMP dependent protein kinase A in complex with HIGH MG2+ concentration, AMP-PCP AND pseudo-substrate peptide SP20
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Peptide SP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
6PJ9
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BU of 6pj9 by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
Descriptor: Peptide aldehyde inhibitor, Rhomboid protease GlpG
Authors:Urban, S, Cho, S.
Deposit date:2019-06-28
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019
3WI0
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BU of 3wi0 by Molmil
P453H/I471T mutant of PB2 middle domain from influenza virus A/Puerto Rico/8/34(H1N1)
Descriptor: Polymerase basic protein 2
Authors:Tsurumura, T, Yoshida, T, Tsuge, H.
Deposit date:2013-09-04
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Conformational Polymorphism of m7GTP in Crystal Structure of the PB2 Middle Domain from Human Influenza A Virus
Plos One, 8, 2013
4IAI
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BU of 4iai by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Ca2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CARBONATE ION, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IB3
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BU of 4ib3 by Molmil
Structure of cAMP dependent protein kinase A in complex with ADP, phosphorylated peptide pSP20, and no metal
Descriptor: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, phosphorylated pseudo-substrate peptide pSP20
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
6PL9
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BU of 6pl9 by Molmil
Adduct formed after 1 month in the reaction of dichlorido(1,3-dimethylbenzimidaz ol-2-ylidene)(eta5-pentamethylcyclopentadienyl)rhodium(III) with HEWL
Descriptor: 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-rhodapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole, Lysozyme, SODIUM ION, ...
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2019-06-30
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Probing the Paradigm of Promiscuity for N-Heterocyclic Carbene Complexes and their Protein Adduct Formation.
Angew.Chem.Int.Ed.Engl., 2021

224004

數據於2024-08-21公開中

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