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PDB: 45697 results

7Q7W
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JAK2 in complex with 4-(2-{[5-(dimethylamino)pentyl]amino}-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol
Descriptor: 4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol, Tyrosine-protein kinase JAK2
Authors:Rowland, P.
Deposit date:2021-11-09
Release date:2022-02-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
7QIW
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Specific features and methylation sites of a plant ribosome. 60S ribosomal subunit.
Descriptor: 25S rRNA, 5.8S rRNA, 50S ribosomal protein L22, ...
Authors:Cottilli, P, Itoh, Y, Amunts, A.
Deposit date:2021-12-16
Release date:2022-07-13
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Cryo-EM structure and rRNA modification sites of a plant ribosome.
Plant Commun., 3, 2022
7BFS
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deoxyxylose nucleic acid hairpin
Descriptor: DNA (5'-D(*AP*GP*CP*AP*AP*TP*CP*CP*(XC)P*(XC)P*(XC)P*(XC)P*GP*GP*AP*TP*TP*GP*CP*T)-3')
Authors:Mattelaer, C.-A, Mohitosh, M, Smets, L, Maiti, M, Schepers, G, Mattelaer, H.-P, Rosemeyer, H, Herdewijn, P, Lescrinier, E.
Deposit date:2021-01-04
Release date:2021-01-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Stable Hairpin Structures Formed by Xylose-Based Nucleic Acids.
Chembiochem, 22, 2021
7QVP
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Human collided disome (di-ribosome) stalled on XBP1 mRNA
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Denk, T.G, Tesina, P, Beckmann, R.
Deposit date:2022-01-22
Release date:2022-10-12
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A distinct mammalian disome collision interface harbors K63-linked polyubiquitination of uS10 to trigger hRQT-mediated subunit dissociation.
Nat Commun, 13, 2022
6YVF
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Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8E23
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Human DNA polymerase theta in complex with allosteric inhibitor
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), DNA (5'-D(*GP*C*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3'), ...
Authors:Mader, P, Pau, V.P.T, Sicheri, F.
Deposit date:2022-08-13
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
8E24
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Human DNA polymerase theta in complex with allosteric inhibitor
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[2,4-bis(trifluoromethyl)phenyl]-N-phenyl-N-[3-(pyridazin-3-yl)prop-2-yn-1-yl]acetamide, DNA, ...
Authors:Mader, P, Pau, V.P.T, Sicheri, F.
Deposit date:2022-08-13
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Identification of RP-6685 , an Orally Bioavailable Compound that Inhibits the DNA Polymerase Activity of Pol theta.
J.Med.Chem., 65, 2022
6TJV
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BU of 6tjv by Molmil
Structure of the NDH-1MS complex from Thermosynechococcus elongatus
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, BETA-CAROTENE, ...
Authors:Schuller, J.M, Saura, P, Thiemann, J, Schuller, S.K, Gamiz-Hernandez, A.P, Kurisu, G, Nowaczyk, M.M, Kaila, V.R.I.
Deposit date:2019-11-27
Release date:2020-02-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Redox-coupled proton pumping drives carbon concentration in the photosynthetic complex I.
Nat Commun, 11, 2020
8EK1
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BU of 8ek1 by Molmil
Cryo-EM structure of a potent anti-malarial antibody L9 in complex with Plasmodium falciparum circumsporozoite protein (PfCSP)(dominant class)
Descriptor: Circumsporozoite protein, L9 Fab heavy chain, L9 Fab light chain
Authors:Tripathi, P, Kwong, P.D.
Deposit date:2022-09-19
Release date:2023-03-15
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of anti-malarial antibody L9 with circumsporozoite protein reveal trimeric L9 association and complete 27-residue epitope.
Structure, 31, 2023
2G7P
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BU of 2g7p by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
8EKA
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BU of 8eka by Molmil
Cryo-EM structure of a potent anti-malarial antibody L9 in complex with Plasmodium falciparum circumsporozoite protein (PfCSP)(class 2)
Descriptor: Circumsporozoite protein, L9 Fab heavy chain, L9 Fab light chain
Authors:Tripathi, P, Kwong, P.D.
Deposit date:2022-09-20
Release date:2023-03-15
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures of anti-malarial antibody L9 with circumsporozoite protein reveal trimeric L9 association and complete 27-residue epitope.
Structure, 31, 2023
8EL2
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BU of 8el2 by Molmil
SARS-CoV-2 RBD bound to neutralizing antibody Fab ICO-hu23
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ICO-hu23 Heavy Chain, Fab ICO-hu23 Light Chain, ...
Authors:Besaw, J.E, Kuo, A, Morizumi, T, Ernst, O.P.
Deposit date:2022-09-22
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Broadly neutralizing humanized SARS-CoV-2 antibody binds to a conserved epitope on Spike and provides antiviral protection through inhalation-based delivery in non-human primates.
Plos Pathog., 19, 2023
7P0H
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BU of 7p0h by Molmil
Crystal structure of Helicobacter pylori ComF fused to an artificial alphaREP crystallization helper(named B2)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, Helicobacter pylori ComF fused to an artificial alphaREP crystallization helper (named B2), ...
Authors:Celma, L, Walbott, H, Legrand, P, Quevillon-Cheruel, S.
Deposit date:2021-06-29
Release date:2022-04-06
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:ComFC mediates transport and handling of single-stranded DNA during natural transformation.
Nat Commun, 13, 2022
7Y11
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BU of 7y11 by Molmil
Crystal structure of AtSFH5-Sec14 in complex with egg PA
Descriptor: (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Lu, Y.Q, Wang, X.Q, Luo, Z.P, Wu, J.W.
Deposit date:2022-06-06
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Arabidopsis Sec14 proteins (SFH5 and SFH7) mediate interorganelle transport of phosphatidic acid and regulate chloroplast development.
Proc.Natl.Acad.Sci.USA, 120, 2023
2G7Q
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BU of 2g7q by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
7Y10
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BU of 7y10 by Molmil
Crystal structure of AtSFH5-Sec14 in complex with DPPA
Descriptor: 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, NICKEL (II) ION, Phosphatidylinositol/phosphatidylcholine transfer protein SFH5
Authors:Lu, Y.Q, Wang, X.Q, Luo, Z.P, Wu, J.W.
Deposit date:2022-06-06
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Arabidopsis Sec14 proteins (SFH5 and SFH7) mediate interorganelle transport of phosphatidic acid and regulate chloroplast development.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YIA
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BU of 7yia by Molmil
Crystal structure of K74A mutant of Cap4 SAVED domain-containing receptor from Enterobacter cloacae
Descriptor: CD-NTase-associated protein 4, MAGNESIUM ION
Authors:Ko, T.-P, Yang, C.-S, Hou, M.-H, Wang, Y.-C, Chen, Y.
Deposit date:2022-07-15
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.428 Å)
Cite:Specific recognition of cyclic oligonucleotides by Cap4 for phage infection.
Int.J.Biol.Macromol., 237, 2023
2G7K
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BU of 2g7k by Molmil
Structure of the Light Chain of Botulinum Neurotoxin, Serotype A Bound to small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Crawford, A, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
7OOO
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BU of 7ooo by Molmil
The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG containing an LNA-Amide-LNA modification
Descriptor: DNA (5'-D(*CP*TP*(05A)P*TP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3')
Authors:Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
Deposit date:2021-05-28
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
7OOS
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BU of 7oos by Molmil
The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG
Descriptor: DNA (5'-D(*CP*TP*(05K)P*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'), STRONTIUM ION
Authors:Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
Deposit date:2021-05-28
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
7OZZ
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The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG with LNA-amide modification
Descriptor: DNA (5'-D(*CP*TP*(05H)P*TP*CP*TP*TP*TP*G)-3'), POTASSIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3')
Authors:Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
Deposit date:2021-06-29
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
6OM3
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Crystal structure of the Orc1 BAH domain in complex with a nucleosome core particle
Descriptor: DNA (146-MER), DNA (147-MER), Histone H2A, ...
Authors:De Ioannes, P.E, Wang, M, Armache, K.-J.
Deposit date:2019-04-18
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and function of the Orc1 BAH-nucleosome complex.
Nat Commun, 10, 2019
6OV1
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BU of 6ov1 by Molmil
Structure of Staphylococcus aureus RNase P protein mutant with defective mRNA degradation activity
Descriptor: Ribonuclease P protein component
Authors:Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P.
Deposit date:2019-05-06
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Genetic and biochemical characterization of Staphylococcus aureus RnpA
To Be Published
7PIL
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Cryo-EM structure of the Rhodobacter sphaeroides RC-LH1-PufXY monomer complex at 2.5 A
Descriptor: (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, BACTERIOCHLOROPHYLL A, ...
Authors:Qian, P, Hunter, C.N.
Deposit date:2021-08-20
Release date:2021-10-13
Last modified:2021-11-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structure of the monomeric Rhodobacter sphaeroides RC-LH1 core complex at 2.5 angstrom.
Biochem.J., 478, 2021

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数据于2024-07-10公开中

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