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PDB: 40926 results

8CIN
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BU of 8cin by Molmil
BA.4/5-5 FAB IN COMPLEX WITH SARS-COV-2 BA.4 SPIKE GLYCOPROTEIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-5 fab HEAVY CHAIN, ...
Authors:Duyvesteyn, H.M.E, Ren, J, Stuart, D.I, Fry, E.E.
Deposit date:2023-02-10
Release date:2024-02-21
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The SARS-CoV-2 neutralizing antibody response to SD1 and its evasion by BA.2.86.
Nat Commun, 15, 2024
8T9Y
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BU of 8t9y by Molmil
Structure of VHH-Fab complex with engineered Elbow FNQIKG and Crystal Kappa regions
Descriptor: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-26
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T8I
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BU of 8t8i by Molmil
Structure of VHH-Fab complex with engineered Elbow FNQIKG, Crystal Kappa and SER substitutions
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab heavy chain, ...
Authors:Filippova, E.V, Thompson, I, Kossiakoff, A.A.
Deposit date:2023-06-22
Release date:2023-11-29
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
6UTN
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BU of 6utn by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
4XAJ
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BU of 4xaj by Molmil
Crystal structure of human NR2E1/TLX
Descriptor: Atrophin/grunge, Maltose-binding periplasmic protein,Nuclear receptor subfamily 2 group E member 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Zhi, X, Zhou, E, Xu, E.
Deposit date:2014-12-14
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.551 Å)
Cite:Structural basis for corepressor assembly by the orphan nuclear receptor TLX.
Genes Dev., 29, 2015
7MXY
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BU of 7mxy by Molmil
Cryo-EM structure of PfFNT-inhibitor complex
Descriptor: (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter
Authors:Yu, E.W, Su, C, Lyu, M.
Deposit date:2021-05-19
Release date:2021-12-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.18 Å)
Cite:Structural basis of transport and inhibition of the Plasmodium falciparum transporter PfFNT
EMBO Rep, 22, 2021
8EUJ
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BU of 8euj by Molmil
Class2 of the INO80-Nucleosome complex
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F.
Deposit date:2022-10-18
Release date:2023-07-12
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
5M0T
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BU of 5m0t by Molmil
Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH, FE (II) ION, ...
Authors:Jakubczyk, D, Caputi, L, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
Deposit date:2016-10-05
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of EasH (Aspergillus japonicus) - an oxidase involved in cycloclavine biosynthesis.
Chem. Commun. (Camb.), 52, 2016
8ETT
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BU of 8ett by Molmil
Class1 of the INO80-Hexasome complex
Descriptor: DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
Deposit date:2022-10-17
Release date:2023-07-12
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (6.68 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
8ETV
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BU of 8etv by Molmil
Class2 of the INO80-Hexasome complex
Descriptor: DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
Deposit date:2022-10-17
Release date:2023-07-12
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
5M30
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BU of 5m30 by Molmil
Structure of TssK from T6SS EAEC in complex with nanobody nb18
Descriptor: Anti-vesicular stomatitis virus N VHH, Type VI secretion protein
Authors:Nguyen, V.S, Cambillau, C, Spinelli, C, Desmyter, A, Legrand, P, Cascales, E.
Deposit date:2016-10-13
Release date:2017-06-21
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
8EU2
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BU of 8eu2 by Molmil
Class3 of the INO80-Hexasome complex
Descriptor: DNA (110-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Cheng, Y.F, Narlikar, G.
Deposit date:2022-10-18
Release date:2023-07-12
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
6YBK
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BU of 6ybk by Molmil
Structure of MBP-Mcl-1 in complex with compound 4d
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Dokurno, P, Surgenor, A.E, Murray, J.B.
Deposit date:2020-03-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
7Z0W
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BU of 7z0w by Molmil
E. coli NfsA bound to NADP+
Descriptor: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ...
Authors:White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I.
Deposit date:2022-02-23
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
7A3S
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BU of 7a3s by Molmil
Crystal structure of dengue 3 virus envelope glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, SULFATE ION
Authors:Sharma, A, Vaney, M.C, Guardado-Calvo, P, Duquerroy, S, Rouvinski, A, Navarro-Sanchez, E, Rey, F.A.
Deposit date:2020-08-18
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.
Cell, 184, 2021
6XZR
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BU of 6xzr by Molmil
Influenza C virus polymerase in complex with chicken ANP32A - Subclass 1
Descriptor: LRRcap domain-containing protein, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E.
Deposit date:2020-02-05
Release date:2020-11-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
8F28
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BU of 8f28 by Molmil
Lysozyme Structures from Single-Entity Crystallization Method NanoAC
Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
Authors:Yang, R, Sankaran, B, Ogbonna, E, Wang, G.
Deposit date:2022-11-07
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Single-Entity Method for Actively Controlled Nucleation and High-Quality Protein Crystal Synthesis.
Anal.Chem., 95, 2023
7PZD
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BU of 7pzd by Molmil
Cryo-EM structure of the NLRP3 PYD filament
Descriptor: NACHT, LRR and PYD domains-containing protein 3
Authors:Hochheiser, I.V, Hagelueken, G, Behrmann, H, Behrmann, E, Geyer, M.
Deposit date:2021-10-12
Release date:2022-04-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Directionality of PYD filament growth determined by the transition of NLRP3 nucleation seeds to ASC elongation.
Sci Adv, 8, 2022
8EUE
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BU of 8eue by Molmil
Class1 of the INO80-Nucleosome complex
Descriptor: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Wu, H, Munoz, E, Gourdet, M, Narlikar, G, Cheng, Y.F.
Deposit date:2022-10-18
Release date:2023-07-12
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Reorientation of INO80 on hexasomes reveals basis for mechanistic versatility.
Science, 381, 2023
6S51
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BU of 6s51 by Molmil
The crystal structure of glycogen phosphorylase in complex with 10
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2019-06-29
Release date:2020-02-19
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design.
Bioorg.Med.Chem., 28, 2020
7N9F
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BU of 7n9f by Molmil
Structure of the in situ yeast NPC
Descriptor: Dynein light chain 1, cytoplasmic, Nucleoporin 145c, ...
Authors:Villa, E, Singh, D, Ludtke, S.J, Akey, C.W, Rout, M.P, Echeverria, I, Suslov, S.
Deposit date:2021-06-17
Release date:2022-01-26
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (37 Å)
Cite:Comprehensive structure and functional adaptations of the yeast nuclear pore complex.
Cell, 185, 2022
7NGJ
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BU of 7ngj by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGD
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BU of 7ngd by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGO
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BU of 7ngo by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
8EOH
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BU of 8eoh by Molmil
crystal structure of human Cytochrome P450 8B1 in complex with a C12-Pyridine Containing Steroid
Descriptor: 12-(pyridin-3-yl)-8alpha,10alpha,13alpha,14beta-androsta-4,11-diene-3,17-dione, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Liu, J, Scott, E.E.
Deposit date:2022-10-03
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281.
J.Biol.Chem., 299, 2023

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