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7LD4
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BU of 7ld4 by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist
Descriptor: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A.
Deposit date:2021-01-12
Release date:2021-09-08
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
7YDG
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BU of 7ydg by Molmil
Crystal structure of human SARS2 catalytic domain with a disease related mutation
Descriptor: Serine--tRNA ligase, mitochondrial
Authors:Wu, S, Li, P, Zhou, X.L, Fang, P.
Deposit date:2022-07-04
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
7YDF
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BU of 7ydf by Molmil
Crystal structure of human SARS2 catalytic domain
Descriptor: Serine--tRNA ligase, mitochondrial
Authors:Wu, S, Li, P, Zhou, X.L, Fang, P.
Deposit date:2022-07-04
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Selective degradation of tRNASer(AGY) is the primary driver for mitochondrial seryl-tRNA synthetase-related disease.
Nucleic Acids Res., 50, 2022
7XPO
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BU of 7xpo by Molmil
Crystal Structure of UDP-Glc/GlcNAc 4-Epimerase with NAD/UDP-Glc
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase, ...
Authors:Chen, Y.H, Wang, X.C, Zhang, C.R.
Deposit date:2022-05-05
Release date:2023-05-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A maize epimerase modulates cell wall synthesis and glycosylation during stomatal morphogenesis.
Nat Commun, 14, 2023
5VRG
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BU of 5vrg by Molmil
Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CHLORIDE ION, ...
Authors:Murray, J.M, Noland, C.L.
Deposit date:2017-05-10
Release date:2017-07-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7REP
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BU of 7rep by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (A1-Ac Rd3CHis)
Descriptor: CALCIUM ION, Penicillin G acylase, phenylmethanesulfonic acid
Authors:Orth, P.
Deposit date:2021-07-13
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.192 Å)
Cite:A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
7REO
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BU of 7reo by Molmil
Crystal structure of an engineered variant of single-chain Penicillin G Acylase from Kluyvera cryocrescens (global hydrolysis Rd3CHis)
Descriptor: CALCIUM ION, Penicillin G Acylase
Authors:Orth, P.
Deposit date:2021-07-13
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.812 Å)
Cite:A chemoenzymatic strategy for site-selective functionalization of native peptides and proteins.
Science, 376, 2022
7YDQ
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BU of 7ydq by Molmil
Structure of PfNT1(Y190A)-GFP in complex with GSK4
Descriptor: 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein
Authors:Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D.
Deposit date:2022-07-04
Release date:2023-04-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.04 Å)
Cite:Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
8DYP
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BU of 8dyp by Molmil
Crystal structure of human cystine transporter cystinosin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cystinosin, Nanobody P10, ...
Authors:Guo, X, Feng, L.
Deposit date:2022-08-04
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and mechanism of human cystine exporter cystinosin.
Cell, 185, 2022
7LC9
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BU of 7lc9 by Molmil
Cryo-EM structure of the N-terminal alpha-synuclein truncation 41-140
Descriptor: Alpha-synuclein
Authors:Xiaodan, N, Ryan, P.M, Jiansen, J, Jennifer, C.L.
Deposit date:2021-01-10
Release date:2021-09-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The N terminus of alpha-synuclein dictates fibril formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LLQ
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BU of 7llq by Molmil
Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity
Descriptor: 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ...
Authors:Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M.
Deposit date:2021-02-04
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
7RCO
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BU of 7rco by Molmil
Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab
Descriptor: 4A11.V2 Fab Heavy Chain, 4A11.V2 Fab Light Chain, Transforming growth factor beta-2
Authors:Yin, J, Lupardus, P.J, Sudhamsu, J.
Deposit date:2021-07-07
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dramatic activation of an antibody by a single amino acid change in framework.
Sci Rep, 11, 2021
8DTK
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BU of 8dtk by Molmil
Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
Authors:May, A.J, Manne, K, Acharya, P.
Deposit date:2022-07-25
Release date:2023-08-02
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023
5VDB
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BU of 5vdb by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3
Descriptor: (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794
Authors:Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
7YC9
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BU of 7yc9 by Molmil
Co-crystal structure of BTK kinase domain with inhibitor
Descriptor: (7~{S})-2-(4-bromanyl-3,5-dimethoxy-phenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, Tyrosine-protein kinase BTK
Authors:Zhou, X.
Deposit date:2022-07-01
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of BGB-8035, a Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase for B-Cell Malignancies and Autoimmune Diseases.
J.Med.Chem., 66, 2023
6K1H
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BU of 6k1h by Molmil
Structure of membrane protein
Descriptor: PTS mannose transporter subunit IID, PTS system mannose-specific EIIC component, alpha-D-mannopyranose
Authors:Wang, J.W, Zeng, J.W.
Deposit date:2019-05-10
Release date:2019-07-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structure of the mannose transporter of the bacterial phosphotransferase system.
Cell Res., 29, 2019
8DZB
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BU of 8dzb by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11
Descriptor: 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-06
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
8DZC
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BU of 8dzc by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17
Descriptor: (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL
Authors:Sacco, M, Chen, Y.
Deposit date:2022-08-06
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold.
Chemistry, 29, 2023
6KZ4
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BU of 6kz4 by Molmil
YebT domain 5-7
Descriptor: Intermembrane transport protein YebT
Authors:Wang, H.W, Liu, C, Zhang, L.
Deposit date:2019-09-23
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM Structure of a Bacterial Lipid Transporter YebT.
J.Mol.Biol., 432, 2020
6KZ3
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BU of 6kz3 by Molmil
YebT domain1-4
Descriptor: Intermembrane transport protein YebT
Authors:Wang, H.W, Liu, C, Zhang, L.
Deposit date:2019-09-23
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM Structure of a Bacterial Lipid Transporter YebT.
J.Mol.Biol., 432, 2020
6L2T
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BU of 6l2t by Molmil
African swine fever virus major capsid protein p72
Descriptor: B646L,Major capsid protein
Authors:Wang, N, Rao, Z, Wang, X.
Deposit date:2019-10-06
Release date:2020-03-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Architecture of African swine fever virus and implications for viral assembly.
Science, 366, 2019
7Y56
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BU of 7y56 by Molmil
Crystal structure of NS1 nuclease domain in P41212 space group
Descriptor: GLYCEROL, NS1 protein
Authors:Zhang, X.Y, Gan, J.H.
Deposit date:2022-06-16
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
7Y57
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BU of 7y57 by Molmil
Crystal structure of NS1 nuclease domain in P21 space group
Descriptor: NS1 protein, PHOSPHATE ION
Authors:Zhang, X.Y, Gan, J.H.
Deposit date:2022-06-16
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Structures and implications of the nuclease domain of human parvovirus B19 NS1 protein.
Comput Struct Biotechnol J, 20, 2022
8E9F
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BU of 8e9f by Molmil
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Descriptor: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W.
Deposit date:2022-08-26
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
6KVE
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BU of 6kve by Molmil
Crystal structure of a GH28 endo-polygalacturonase from Talaromyces leycettanus JCM 12802
Descriptor: Endo-polygalacturonase
Authors:Tu, T, Hakulinen, N, Yao, B.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Insights into the Mechanisms Underlying the Kinetic Stability of GH28 Endo-Polygalacturonase.
J.Agric.Food Chem., 69, 2021

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數據於2024-07-10公開中

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