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PDB: 89346 results

6AS5
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BU of 6as5 by Molmil
CRYSTAL STRUCTURE OF PROTEIN CitE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM, ACETOACETATE AND COENZYME A
Descriptor: ACETOACETIC ACID, COENZYME A, Citrate lyase subunit beta-like protein, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wang, H, Bonanno, J.B, Carvalho, L, Almo, S.C.
Deposit date:2017-08-23
Release date:2018-08-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.035 Å)
Cite:An essential bifunctional enzyme inMycobacterium tuberculosisfor itaconate dissimilation and leucine catabolism.
Proc.Natl.Acad.Sci.USA, 116, 2019
4RH7
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BU of 4rh7 by Molmil
Crystal structure of human cytoplasmic dynein 2 motor domain in complex with ADP.Vi
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, ...
Authors:Schmidt, H, Zalyte, R, Urnavicius, L, Carter, A.P.
Deposit date:2014-10-01
Release date:2014-12-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Structure of human cytoplasmic dynein-2 primed for its power stroke.
Nature, 518, 2015
7Z6U
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BU of 7z6u by Molmil
Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
Descriptor: 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ...
Authors:Hochban, P.M.M, Heine, A, Diederich, W.E.
Deposit date:2022-03-14
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
7NNL
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BU of 7nnl by Molmil
Cryo-EM structure of the KdpFABC complex in an E1-ATP conformation loaded with K+
Descriptor: CARDIOLIPIN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Silberberg, J.M, Corey, R.A, Hielkema, L, Stock, C, Stansfeld, P.J, Paulino, C, Haenelt, I.
Deposit date:2021-02-25
Release date:2021-07-28
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Deciphering ion transport and ATPase coupling in the intersubunit tunnel of KdpFABC.
Nat Commun, 12, 2021
6EVK
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BU of 6evk by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter and cap analogue m7GTP
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Polymerase acidic protein, ...
Authors:Pflug, A, Cusack, S.
Deposit date:2017-11-01
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
7L7F
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BU of 7l7f by Molmil
Cryo-EM structure of human ACE2 receptor bound to protein encoded by vaccine candidate BNT162b1
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein, Envelope glycoprotein fusion
Authors:Lees, J.A, Han, S.
Deposit date:2020-12-28
Release date:2021-02-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:BNT162b vaccines protect rhesus macaques from SARS-CoV-2.
Nature, 592, 2021
6Y8F
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BU of 6y8f by Molmil
An inactive (D136N and D137N) variant of alpha-1,6-mannanase, GH76A of Salegentibacter sp. HEL1_6 in complex with alpha-1,6-mannotriose
Descriptor: Alpha-1,6-endo-mannanase GH76A mutant, CALCIUM ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
Authors:Hehemann, J.H, Solanki, V.A.
Deposit date:2020-03-04
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.472 Å)
Cite:Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
Isme J, 2022
5NLD
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BU of 5nld by Molmil
Chicken GRIFIN (crystallisation pH: 7.5)
Descriptor: Galectin, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ruiz, F.M, Romero, A.
Deposit date:2017-04-04
Release date:2018-02-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Chicken GRIFIN: Structural characterization in crystals and in solution.
Biochimie, 146, 2018
4Y8F
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BU of 4y8f by Molmil
Crystal structure of Triosephosphate Isomerase from Clostridium perfringens
Descriptor: ACETATE ION, SODIUM ION, Triosephosphate Isomerase
Authors:Romero-Romero, S, Rodriguez-Romero, A, Fernandez-Velasco, D.A.
Deposit date:2015-02-16
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Reversibility and two state behaviour in the thermal unfolding of oligomeric TIM barrel proteins.
Phys Chem Chem Phys, 17, 2015
6SEZ
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BU of 6sez by Molmil
X-ray structure of the gold/lysozyme adduct formed upon 24h exposure of protein crystals to compound 1
Descriptor: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
Authors:Ferraro, G, Giorgio, A, Merlino, A.
Deposit date:2019-07-30
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Protein-mediated disproportionation of Au(i): insights from the structures of adducts of Au(iii) compounds bearing N,N-pyridylbenzimidazole derivatives with lysozyme.
Dalton Trans, 48, 2019
8KB2
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BU of 8kb2 by Molmil
Crystal Structure of M- and C-Domains of the shaft pilin LrpA from Ligilactobacillus ruminis - iodide derivative
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Prajapati, A, Palva, A, von Ossowski, I, Krishnan, V.
Deposit date:2023-08-03
Release date:2024-07-10
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The crystal structure of the N-terminal domain of the backbone pilin LrpA reveals a new closure-and-twist motion for assembling dynamic pili in Ligilactobacillus ruminis.
Acta Crystallogr D Struct Biol, 80, 2024
6BGB
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BU of 6bgb by Molmil
Crystal Structure of the 16mer GCAGNCUUAAGUCUGC containing BrPh 7-triazolyl-8-aza-7-deazaadenosine
Descriptor: (5'-R(*GP*CP*AP*GP*(A7C)P*CP*UP*UP*AP*AP*GP*UP*CP*UP*GP*C)-3')
Authors:Fisher, A.J, Beal, P.A, Mumbleau, M.M.
Deposit date:2017-10-27
Release date:2017-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Controlling miRNA-like off-target effects of an siRNA with nucleobase modifications.
Org. Biomol. Chem., 15, 2017
6MHG
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BU of 6mhg by Molmil
Cryo-EM structure of the circumsporozoite protein of Plasmodium falciparum with a vaccine-elicited antibody reveals maturation of inter-antibody contacts
Descriptor: Fab311 heavy chain, Fab311 light chain, circumsporozoite protein
Authors:Cottrell, C.A, Torres, J.L, Ward, A.B.
Deposit date:2018-09-17
Release date:2018-10-31
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Cryo-EM structure ofP. falciparumcircumsporozoite protein with a vaccine-elicited antibody is stabilized by somatically mutated inter-Fab contacts.
Sci Adv, 4, 2018
8B9L
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BU of 8b9l by Molmil
Cryo-EM structure of MLE
Descriptor: Dosage compensation regulator
Authors:Jagtap, P.K.A, Hennig, J.
Deposit date:2022-10-06
Release date:2023-10-18
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural basis of RNA-induced autoregulation of the DExH-type RNA helicase maleless.
Mol.Cell, 83, 2023
5ND1
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BU of 5nd1 by Molmil
Viral evolution results in multiple, surface-allocated enzymatic activities in a fungal double-stranded RNA virus
Descriptor: Capsid protein
Authors:Mata, C.P, Luque, D, Gomez Blanco, J, Rodriguez, J.M, Suzuki, N, Ghabrial, S.A, Carrascosa, J.L, Trus, B.L, Caston, J.R.
Deposit date:2017-03-07
Release date:2017-11-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Acquisition of functions on the outer capsid surface during evolution of double-stranded RNA fungal viruses.
PLoS Pathog., 13, 2017
8S6J
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BU of 8s6j by Molmil
NavMs in complex with riluzole
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine, CHLORIDE ION, ...
Authors:Hollingworth, D, Sula, A, Mykhaylyk, V, Wallace, B.A.
Deposit date:2024-02-27
Release date:2024-09-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole.
Nat Commun, 15, 2024
5NM9
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BU of 5nm9 by Molmil
Crystal structure of the placozoa Trichoplax adhaerens Smad4-MH1 bound to the GGCGC site.
Descriptor: DNA (5'-D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'), Mothers against decapentaplegic homolog, ZINC ION
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2017-04-05
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
7N0Z
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BU of 7n0z by Molmil
Structure of PPM1H phosphatase with manganese ions at the active site
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Protein phosphatase 1H
Authors:Khan, A.R, Waschbusch, D.
Deposit date:2021-05-26
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis for the specificity of PPM1H phosphatase for Rab GTPases.
Embo Rep., 22, 2021
7NAA
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BU of 7naa by Molmil
Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain
Descriptor: (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase
Authors:Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC)
Deposit date:2021-06-21
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains.
Curr Res Struct Biol, 3, 2021
6AXR
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BU of 6axr by Molmil
Structure of the P122A mutant of the HIV-1 capsid protein
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a Structural Element in HIV-1 Gag Required for Virus Particle Assembly and Maturation.
MBio, 9, 2018
6EZO
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BU of 6ezo by Molmil
Eukaryotic initiation factor EIF2B in complex with ISRIB
Descriptor: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Human eukaryotic initiation factor EIF2B epsilon subunits, Translation initiation factor eIF-2B subunit alpha, ...
Authors:Faille, A, Weis, F, Zyryanova, A, Warren, A.J, Ron, D.
Deposit date:2017-11-16
Release date:2018-03-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Binding of ISRIB reveals a regulatory site in the nucleotide exchange factor eIF2B.
Science, 359, 2018
4YJN
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BU of 4yjn by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1639
Descriptor: 5-amino-1-tert-butyl-3-[2-(cyclobutyloxy)quinolin-6-yl]-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2015-03-03
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors of Toxoplasma gondii CDPK1.
Acs Med.Chem.Lett., 6, 2015
1AXV
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BU of 1axv by Molmil
SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CTCTC-[BP]A-CTTCC)D(GGAAGTGAGAG)
Authors:Mao, B, Gu, Z, Gorin, A.A, Chen, J, Hingerty, B.E, Amid, S, Broyde, S, Geacintov, N.E, Patel, D.J.
Deposit date:1997-10-21
Release date:1998-07-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the (+)-cis-anti-benzo[a]pyrene-dA ([BP]dA) adduct opposite dT in a DNA duplex.
Biochemistry, 38, 1999
6AXV
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BU of 6axv by Molmil
Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-09-07
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Identification of a novel element in HIV-1 capsid critical for assembly and maturation
To be published
8B74
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BU of 8b74 by Molmil
Tyrosinase from halophilic bacterium Hahella sp. CCB MM4
Descriptor: Oxidoreductase
Authors:Rohr, A.K, Santos, G.A, Englund, A.N.
Deposit date:2022-09-28
Release date:2023-10-11
Method:X-RAY DIFFRACTION (1.965 Å)
Cite:Tyrosinase from halophilic bacterium Hahella sp. CCB MM4
To Be Published

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