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PDB: 89035 results

7PTI
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STRUCTURAL EFFECTS INDUCED BY REMOVAL OF A DISULFIDE BRIDGE. THE X-RAY STRUCTURE OF THE C30A(SLASH)C51A MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR AT 1.6 ANGSTROMS
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Eigenbrot, C, Randal, M, Kossiakoff, A.A.
Deposit date:1990-03-08
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural effects induced by removal of a disulfide-bridge: the X-ray structure of the C30A/C51A mutant of basic pancreatic trypsin inhibitor at 1.6 A.
Protein Eng., 3, 1990
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2021-03-25
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
7NZO
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BU of 7nzo by Molmil
D-lyxose isomerasefrom the hyperthermophilic archaeon Thermofilum sp
Descriptor: 1,2-ETHANEDIOL, D-lyxose/D-mannose family sugar isomerase, MANGANESE (II) ION
Authors:De Rose, S.A, Isupov, M.N, Littlechild, J.A, Schoenheit, P.
Deposit date:2021-03-24
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Biochemical and Structural Characterisation of a Novel D-Lyxose Isomerase From the Hyperthermophilic Archaeon Thermofilum sp.
Front Bioeng Biotechnol, 9, 2021
6YQO
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Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12
Descriptor: (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-04-17
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
7NZP
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BU of 7nzp by Molmil
D-lyxose isomerase from the hyperthermophilic archaeon Thermofilum sp complexed with D-fructose
Descriptor: 1,2-ETHANEDIOL, D-lyxose/D-mannose family sugar isomerase, MANGANESE (II) ION, ...
Authors:De Rose, S.A, Isupov, M.N, Littlechild, J.A, Schoenheit, P.
Deposit date:2021-03-24
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.345 Å)
Cite:Biochemical and Structural Characterisation of a Novel D-Lyxose Isomerase From the Hyperthermophilic Archaeon Thermofilum sp.
Front Bioeng Biotechnol, 9, 2021
7B5K
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BU of 7b5k by Molmil
E. coli 70S containing suppressor tRNA in the A-site stabilized by a Negamycin analogue and P-site tRNA-nascent chain.
Descriptor: 16S rRNA, 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid, 23S rRNA, ...
Authors:Albers, S, Beckert, B, Matthies, M, Schuster, R, Riedner, M, Seuring, C, Sanyal, S, Torda, A, Wilson, N.D, Ignatova, Z.
Deposit date:2020-12-03
Release date:2021-05-26
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Harnessing evolutionarily flexibility in tRNAs to maximize nonsense suppression activities
Nat Commun, 2021
8FVR
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BU of 8fvr by Molmil
CryoEM structure of E.coli transcription elongation complex
Descriptor: DNA (53-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Duan, W, Serganov, A.
Deposit date:2023-01-19
Release date:2023-04-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Control of transcription elongation and DNA repair by alarmone ppGpp.
Nat.Struct.Mol.Biol., 30, 2023
8FVW
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BU of 8fvw by Molmil
CryoEM structure of E.coli transcription elongation complex bound to ppGpp
Descriptor: DNA (53-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Duan, W, Serganov, A.
Deposit date:2023-01-19
Release date:2023-04-05
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Control of transcription elongation and DNA repair by alarmone ppGpp.
Nat.Struct.Mol.Biol., 30, 2023
6YAT
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BU of 6yat by Molmil
Crystal structure of STK4 (MST1) in complex with compound 6
Descriptor: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ...
Authors:Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-03-13
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia.
J.Med.Chem., 65, 2022
7TBL
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BU of 7tbl by Molmil
Composite structure of the human nuclear pore complex (NPC) cytoplasmic face generated with a 12A cryo-ET map of the purified HeLa cell NPC
Descriptor: DDX19, ELYS, GLE1, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-12-22
Release date:2022-06-22
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (23 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
8F8X
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BU of 8f8x by Molmil
Crystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nb.X0, Uncharacterized protein DKFZp686C11235
Authors:Goldgur, Y, Ravetch, J, Gupta, A, Kao, K, Oren, D.
Deposit date:2022-11-22
Release date:2023-03-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Nat Commun, 14, 2023
6YR8
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BU of 6yr8 by Molmil
Affimer K6 - KRAS protein complex
Descriptor: Affimer K6, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Trinh, C.H, Haza, K.Z, Rao, A, Martin, H.L, Tiede, C, Edwards, T.A, McPherson, M.J, Tomlinson, D.C.
Deposit date:2020-04-19
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:RAS-inhibiting biologics identify and probe druggable pockets including an SII-alpha 3 allosteric site.
Nat Commun, 12, 2021
6YRB
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BU of 6yrb by Molmil
Crystal structure of the tetramerization domain of the glycoprotein Gn (Andes virus) at pH 7.5
Descriptor: Envelope polyprotein, IODIDE ION, RNA (5'-D(*())-R(P*UP*UP*UP*())-3'), ...
Authors:Serris, A, Rey, F.A, Guardado-Calvo, P.
Deposit date:2020-04-20
Release date:2020-10-14
Last modified:2020-10-28
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
6YS5
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BU of 6ys5 by Molmil
Acinetobacter baumannii ribosome-amikacin complex - 30S subunit head
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ...
Authors:Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
Deposit date:2020-04-21
Release date:2020-09-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
8FUR
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BU of 8fur by Molmil
Crystal structure of human IDO1 with compound 11
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea
Authors:Critton, D.A, Lewis, H.A.
Deposit date:2023-01-18
Release date:2023-04-26
Last modified:2023-05-03
Method:X-RAY DIFFRACTION (2.285 Å)
Cite:Synthesis and biological evaluation of biaryl alkyl ethers as inhibitors of IDO1.
Bioorg.Med.Chem.Lett., 88, 2023
7NY7
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BU of 7ny7 by Molmil
Crystal structure of the Capsaspora owczarzaki macroH2A macrodomain in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, Histone macroH2A1.1
Authors:Guberovic, I, Knobloch, G, Basquin, J, Buschbeck, M, Ladurner, A.G.
Deposit date:2021-03-21
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolution of a histone variant involved in compartmental regulation of NAD metabolism.
Nat.Struct.Mol.Biol., 28, 2021
7OBM
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BU of 7obm by Molmil
Crystal structure of the human Prolyl Endopeptidase-Like protein short form (residues 90-727)
Descriptor: Prolyl endopeptidase-like
Authors:Rosier, K, McDevitt, M.T, Brendan, J.F, Marcaida, M.J, Bingman, C.A, Pagliarini, D.J, Creemers, J.W.M, Smith, R.W, Mitochondrial Protein Partnership (MPP)
Deposit date:2021-04-22
Release date:2021-11-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Prolyl endopeptidase-like is a (thio)esterase involved in mitochondrial respiratory chain function.
Iscience, 24, 2021
6YCZ
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BU of 6ycz by Molmil
Plasmodium falciparum Myosin A delta-Nter, Post-Rigor state
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
Deposit date:2020-03-19
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
8FNY
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BU of 8fny by Molmil
Nucleotide-bound structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-28
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FO6
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BU of 8fo6 by Molmil
Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase.
Descriptor: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase, ...
Authors:Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
Deposit date:2022-12-29
Release date:2023-05-03
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
7QUE
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BU of 7que by Molmil
The STK17A (DRAK1) Kinase Domain Bound to CKJB68
Descriptor: Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
Authors:Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S.
Deposit date:2022-01-17
Release date:2022-02-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles.
J.Med.Chem., 65, 2022
7QWQ
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BU of 7qwq by Molmil
Ternary complex of ribosome nascent chain with SRP and NAC
Descriptor: 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E.
Deposit date:2022-01-25
Release date:2022-03-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting.
Science, 375, 2022
7QDN
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BU of 7qdn by Molmil
Structure of human liver pyruvate kinase from which the B domain has been deleted
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALIC ACID, ...
Authors:Lulla, A, Hyvonen, M.
Deposit date:2021-11-27
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
8FSI
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BU of 8fsi by Molmil
The structure of a crystallizable variant of E. coli pyruvate formate-lyase activating enzyme bound to SAM
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, POTASSIUM ION, ...
Authors:Moody, J.D, Galambas, A, Lawrence, C.M, Broderick, J.B.
Deposit date:2023-01-10
Release date:2023-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Computational engineering of previously crystallized pyruvate formate-lyase activating enzyme reveals insights into SAM binding and reductive cleavage.
J.Biol.Chem., 299, 2023
7NUY
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BU of 7nuy by Molmil
New polymorhp of proteinase K obtained by free interface diffusion technique
Descriptor: Proteinase K, SULFATE ION
Authors:Gavira, J.A, Artusio, F, Castellvi, A, Pisano, R.
Deposit date:2021-03-15
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form
Crystals, 2021

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