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PDB: 40926 results

9AUL
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BU of 9aul by Molmil
Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.421 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AWJ
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BU of 9awj by Molmil
Bovine adult muscle nAChR bound to ACh
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, ...
Authors:Li, H, Hibbs, R.E.
Deposit date:2024-03-05
Release date:2024-07-31
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural switch in acetylcholine receptors in developing muscle.
Nature, 2024
9IIE
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BU of 9iie by Molmil
Cryogenic Temperature Crystal Structure of Fc Fragment of Human IgG1 from Biosimilar VEGF-Trap
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Destan, E, DeMirci, H.
Deposit date:2024-06-20
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Cryogenic Temperature Crystal Structure of Fc Fragment of Human IgG1 from Biosimilar VEGF-Trap
To Be Published
8WTC
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BU of 8wtc by Molmil
Crystal structure of McsB kinase domain complexed with McsA.
Descriptor: Protein-arginine kinase, Protein-arginine kinase activator protein, ZINC ION
Authors:Arifuzzaman, M, Kwon, E, Kim, D.Y.
Deposit date:2023-10-18
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the regulation of protein-arginine kinase McsB by McsA.
Proc.Natl.Acad.Sci.USA, 121, 2024
8ZCM
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BU of 8zcm by Molmil
Cryogenic Temperature Crystal Structure of Fc Fragment of Human IgG1 from Biosimilar VEGF-Trap
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Immunoglobulin gamma-1 heavy chain, ...
Authors:Destan, E, DeMirci, H.
Deposit date:2024-04-30
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Cryogenic Temperature Crystal Structure of Fc Fragment of Human IgG1 from Biosimilar VEGF-Trap
To Be Published
8Z4B
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BU of 8z4b by Molmil
Crystal structure of LysB22-AspB28 insulin analog at ambient structure
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Ayan, E, Demirci, H.
Deposit date:2024-04-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of LysB22-AspB28 insulin analog at ambient structure
To Be Published
8WTB
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BU of 8wtb by Molmil
Crystal structure of McsA/McsB complex truncated by chymotrypsin
Descriptor: Protein-arginine kinase, Protein-arginine kinase activator protein, ZINC ION
Authors:Arifuzzaman, M, Kwon, E, Kim, D.Y.
Deposit date:2023-10-18
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the regulation of protein-arginine kinase McsB by McsA.
Proc.Natl.Acad.Sci.USA, 121, 2024
8Z77
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BU of 8z77 by Molmil
The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2 and Na ascorbate during 12 hours
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Twin-arginine translocation signal domain-containing protein
Authors:Varfolomeeva, L.A, Solovieva, A.Y, Shipkov, N.S, Dergousova, N.I, Minyaev, M.E, Boyko, K.M, Tikhonova, T.V, Popov, V.O.
Deposit date:2024-04-19
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum (pmTcDH), activated by crystals soaking with 1 mM CuCl2 and Na ascorbate during 12 hours
To Be Published
9BNA
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BU of 9bna by Molmil
RE-REFINEMENT OF THE B-DODECAMER D(CGCGAATTCGCG) WITH A COMPARATIVE ANALYSIS OF THE SOLVENT IN IT AND IN THE Z-HEXAMER D(5BRCG5BRCG5BRCG)
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Westhof, E.
Deposit date:1990-02-01
Release date:1991-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Re-refinement of the B-dodecamer d(CGCGAATTCGCG) with a comparative analysis of the solvent in it and in the Z-hexamer d(5BrCG5BrCG5BrCG).
J.Biomol.Struct.Dyn., 5, 1987
9AYX
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BU of 9ayx by Molmil
SARS-CoV-2 Omicron-EG.5.1 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-EG.5.1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, Q.E, Acharya, P.
Deposit date:2024-03-08
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:SARS-CoV-2 Omicron-EG.5.1 3-RBD down Spike Protein Trimer 2 (S-GSAS-Omicron-EG.5.1)
To Be Published
9BP6
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BU of 9bp6 by Molmil
Structure of alpha1B and betaI/IVb microtubule bound to GMPCPP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Zehr, E.A, Roll-Mecak, A.
Deposit date:2024-05-07
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures of human alpha 1B/ beta I+ beta IVb microtubules shed light on isoform specific assembly
Biorxiv, 2023
8ZCK
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BU of 8zck by Molmil
Serial Femtosecond Crystallography Structure of Fc Fragment of Human IgG1 from Biosimilar VEGF-Trap
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Destan, E, DeMirci, H.
Deposit date:2024-04-30
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Serial Femtosecond Crystallography Structure of Fc Fragment of Human IgG1 from VEGF-Trap
To Be Published
8XCN
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BU of 8xcn by Molmil
Cryo-EM Structure of Membrane-bound Fructose Dehydrogenase from Gluconobacter japonicus variant-N1190A
Descriptor: FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Fructose dehydrogenase cytochrome subunit, ...
Authors:Fukawa, E, Miyata, T, Makino, F, Adachi, T, Suzuki, Y, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O.
Deposit date:2023-12-09
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural and electrochemical elucidation of biocatalytic mechanisms in direct electron transfer-type D-fructose dehydrogenase.
Electrochim Acta, 490, 2024
9EZG
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BU of 9ezg by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Descriptor: 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ...
Authors:Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2024-04-12
Release date:2024-07-31
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication.
J.Med.Chem., 67, 2024
8YQ4
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BU of 8yq4 by Molmil
Structure of mBaoJin2
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Boyko, K.M, Nikolaeva, A.Y, Minyaev, M.E, Kuzmicheva, T.P, Vlaskina, A.V, Popov, V.O, Pyatkevich, K.D, Subach, F.V.
Deposit date:2024-03-19
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of mBaoJin2
To Be Published
9CIL
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BU of 9cil by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Zhang, Y, Schlessman, J.L, Siegler, M.A, Garcia-Moreno E, B.
Deposit date:2024-07-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
To Be Published
8ZCL
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BU of 8zcl by Molmil
Ambient Temperature Crystal Structure of Fc Fragment of Human IgG1 from Biosimilar VEGF-Trap
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Destan, E, DeMirci, H.
Deposit date:2024-04-30
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ambient Temperature Crystal Structure of Fc Fragment of Human IgG1 from Biosimilar VEGF-Trap
To Be Published
7PDC
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BU of 7pdc by Molmil
The structure of the human tetrameric LL-37 peptide in a channel conformation
Descriptor: CHLORIDE ION, Cathelicidin antimicrobial peptide
Authors:Zeth, K, Sancho-Vaello, E.
Deposit date:2021-08-05
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The structure of the antimicrobial human cathelicidin LL-37 shows oligomerization and channel formation in the presence of membrane mimics.
Sci Rep, 10, 2020
9AUJ
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BU of 9auj by Molmil
Structure of SARS-CoV-2 Mpro mutant (S144A) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9CII
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BU of 9cii by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36R at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Zhang, Y, Schlessman, J.L, Robinson, A.C, Garcia-Moreno E, B.
Deposit date:2024-07-03
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Staphylococcal nuclease variant Delta+PHS V23D/L36R at cryogenic temperature
To Be Published
8F2P
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BU of 8f2p by Molmil
Nef SF2 dimerization mutant bound to Hck SH3
Descriptor: C-terminal core protein, Tyrosine-protein kinase HCK
Authors:Thomas, C.E, Alvarado, J.J, Smithgall, T.E.
Deposit date:2022-11-08
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Neutron Reflectometry and Molecular Simulations Demonstrate HIV-1 Nef Homodimer Formation on Model Lipid Bilayers.
J.Mol.Biol., 435, 2023
8EGX
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BU of 8egx by Molmil
Complex of Fat4(EC1-4) bound to Dchs1(EC1-4)
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:Medina, E, Luca, V.C.
Deposit date:2022-09-13
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.688 Å)
Cite:Structure of the planar cell polarity cadherins Fat4 and Dachsous1.
Nat Commun, 14, 2023
8F1S
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BU of 8f1s by Molmil
A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in A-orientation
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ...
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-06
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
6ES3
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BU of 6es3 by Molmil
Structure of CDX2-DNA(TCG)
Descriptor: DNA (5'-D(P*GP*GP*AP*GP*GP*TP*CP*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*CP*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2
Authors:Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
Deposit date:2017-10-19
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
6E6I
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BU of 6e6i by Molmil
Crystal structure of 4-methyl HOPDA bound to LigY from Sphingobium sp. strain SYK-6
Descriptor: (1Z,3E)-5-carboxy-3-methyl-5-oxo-1-phenylpenta-1,3-dien-1-olate, 2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl meta-cleavage compound hydrolase, ZINC ION
Authors:Kuatsjah, E, Chan, A.C, Hurst, T.E, Snieckus, V, Murphy, M.E, Eltis, L.D.
Deposit date:2018-07-24
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Metal- and Serine-Dependent Meta-Cleavage Product Hydrolases Utilize Similar Nucleophile-Activation Strategies
Acs Catalysis, 8, 2018

224572

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