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PDB: 53012 results

8FYT
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BU of 8fyt by Molmil
LSD-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex
Descriptor: (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D.
Deposit date:2023-01-26
Release date:2024-05-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
8FYL
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BU of 8fyl by Molmil
Vilazodone-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex
Descriptor: 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D.
Deposit date:2023-01-26
Release date:2024-05-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
8FYE
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BU of 8fye by Molmil
4-F, 5-MeO-PyrT-bound serotonin 1A (5-HT1A) receptor-Gi1 protein complex
Descriptor: 4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Warren, A.L, Zilberg, G, Capper, M.J, Wacker, D.
Deposit date:2023-01-26
Release date:2024-05-15
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural pharmacology and therapeutic potential of 5-methoxytryptamines.
Nature, 630, 2024
7RIN
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BU of 7rin by Molmil
Apo PTP1B by Native S-SAD at Room Temperature
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Greisman, J.B, Dalton, K.M, Hekstra, D.R.
Deposit date:2021-07-20
Release date:2021-07-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Native SAD phasing at room temperature.
Acta Crystallogr D Struct Biol, 78, 2022
6QLJ
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BU of 6qlj by Molmil
Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP
Descriptor: 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ...
Authors:Marshall, S.A, Leys, D.
Deposit date:2019-02-01
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry.
Nat Commun, 10, 2019
8AS0
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BU of 8as0 by Molmil
PD-1 extracellular domain in complex with Fab fragment from D12 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ongaro, T, Scietti, L, Pluss, L, Peissert, F, Villa, A, Puca, E, De Luca, R, Neri, D, Forneris, F.
Deposit date:2022-08-17
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Selection of a PD-1 blocking antibody from a novel fully human phage display library.
Protein Sci., 31, 2022
7R7S
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BU of 7r7s by Molmil
p47-bound p97-R155H mutant with ATPgammaS
Descriptor: NSFL1 cofactor p47, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L.
Deposit date:2021-06-25
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes.
Int J Mol Sci, 22, 2021
7BII
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BU of 7bii by Molmil
Crystal structure of Nematocida HUWE1
Descriptor: E3 ubiquitin-protein ligase HUWE1
Authors:Grabarczyk, D.B, Petrova, O.A, Meinhart, A, Kessler, D, Clausen, T.
Deposit date:2021-01-12
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.037 Å)
Cite:HUWE1 employs a giant substrate-binding ring to feed and regulate its HECT E3 domain.
Nat.Chem.Biol., 17, 2021
6ERQ
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BU of 6erq by Molmil
Structure of the human mitochondrial transcription initiation complex at the HSP promoter
Descriptor: DNA-directed RNA polymerase, mitochondrial, Dimethyladenosine transferase 2, ...
Authors:Hillen, H.S, Morozov, Y.I, Sarfallah, A, Temiakov, D, Cramer, P.
Deposit date:2017-10-18
Release date:2017-11-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structural Basis of Mitochondrial Transcription Initiation.
Cell, 171, 2017
7BME
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BU of 7bme by Molmil
Crystal structure of a R18W mutant of the DNA-binding protein RemA from Geobacillus thermodenitrificans
Descriptor: Putative regulatory protein GTNG_1019
Authors:Altegoer, F, Mrusek, D, Bange, G.
Deposit date:2021-01-20
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional characterization of the bacterial biofilm activator RemA.
Nat Commun, 12, 2021
6NXK
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BU of 6nxk by Molmil
Ubiquitin binding variants
Descriptor: Anaphase-promoting complex subunit 2, Polyubiquitin-C
Authors:Miller, D.J, Watson, E.R.
Deposit date:2019-02-08
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
6WAQ
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BU of 6waq by Molmil
Crystal structure of the SARS-CoV-1 RBD bound by the cross-reactive single-domain antibody SARS VHH-72
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, nanobody SARS VHH-72
Authors:Wrapp, D, McLellan, J.S.
Deposit date:2020-03-25
Release date:2020-04-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Potent Neutralization of Betacoronaviruses by Single-Domain Camelid Antibodies.
Cell, 181, 2020
6VRH
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BU of 6vrh by Molmil
Cryo-EM structure of the wild-type human serotonin transporter complexed with paroxetine and 8B6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ...
Authors:Coleman, J.A, Navratna, V, Yang, D.
Deposit date:2020-02-07
Release date:2020-03-11
Last modified:2020-09-23
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
7S1H
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BU of 7s1h by Molmil
Wild-type Escherichia coli ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022
7OR6
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BU of 7or6 by Molmil
The crystal structure of the domain-swapped dimer of onconase
Descriptor: Protein P-30
Authors:Merlino, A, Loreto, D.
Deposit date:2021-06-04
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The crystal structure of the domain-swapped dimer of onconase highlights some catalytic and antitumor activity features of the enzyme.
Int.J.Biol.Macromol., 191, 2021
6O2Q
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BU of 6o2q by Molmil
Acetylated Microtubules
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E.
Deposit date:2019-02-24
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Effects of alpha-tubulin acetylation on microtubule structure and stability.
Proc.Natl.Acad.Sci.USA, 116, 2019
7ORD
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BU of 7ord by Molmil
The crystal structure of the domain-swapped dimer of onconase (2)
Descriptor: ACETATE ION, Protein P-30, SULFATE ION
Authors:Merlino, A, Loreto, D.
Deposit date:2021-06-05
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:The crystal structure of the domain-swapped dimer of onconase highlights some catalytic and antitumor activity features of the enzyme.
Int.J.Biol.Macromol., 191, 2021
6Q4D
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BU of 6q4d by Molmil
CDK2 in complex with FragLite31
Descriptor: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2
Authors:Wood, D.J, Martin, M.P, Noble, M.E.M.
Deposit date:2018-12-05
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
5LR4
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BU of 5lr4 by Molmil
RNA duplex has central consecutive GA pairs flanked by G-U basepairs with a methyl group on the adenine N6
Descriptor: RNA (5'-R(*GP*(CBV)P*CP*GP*GP*(6MZ)P*UP*GP*GP*C)-3'), SODIUM ION
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2016-08-18
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
6W3U
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BU of 6w3u by Molmil
APE1 exonuclease substrate complex R237C
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Freudenthal, B.D, Whitaker, A.M.
Deposit date:2020-03-09
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
6W2P
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BU of 6w2p by Molmil
APE1 endonuclease product complex L104R
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*AP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Freudenthal, B.D, Whitaker, A.M.
Deposit date:2020-03-06
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
4YCO
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BU of 4yco by Molmil
E. coli dihydrouridine synthase C (DusC) in complex with tRNAPhe
Descriptor: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A.
Deposit date:2015-02-20
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
6W4M
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BU of 6w4m by Molmil
CRYSTAL STRUCTURE OF THE ADCC-POTENT, WEAKLY NEUTRALIZING HIV ENV CO-RECEPTOR BINDING SITE ANTIBODY N12-I2 FAB IN COMPLEX WITH HIV-1 CLADE A/E GP120 AND M48U1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTI-HIV ANTIBODY N12-I2 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY N12-I2 FAB LIGHT CHAIN, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2020-03-11
Release date:2020-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Defining rules governing recognition and Fc-mediated effector functions to the HIV-1 co-receptor binding site.
Bmc Biol., 18, 2020
8QRG
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BU of 8qrg by Molmil
SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-07
Release date:2024-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024

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