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4NOL
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BU of 4nol by Molmil
Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain mutant D233A at pH 7.5
Descriptor: Legumain
Authors:Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
2G8D
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BU of 2g8d by Molmil
Lactobacillus casei thymidylate synthase Y261W-dUMP complex
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
4NOK
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BU of 4nok by Molmil
Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5
Descriptor: Legumain
Authors:Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J.
Deposit date:2013-11-19
Release date:2014-02-19
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
6XF5
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BU of 6xf5 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
8JGF
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BU of 8jgf by Molmil
CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGG
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BU of 8jgg by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22
Descriptor: BAM8-22, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
8JGB
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BU of 8jgb by Molmil
CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2
Descriptor: Conorfamide-Tx2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y.
Deposit date:2023-05-20
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
7N5H
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BU of 7n5h by Molmil
Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Casner, R.G, Cerutti, G, Shapiro, L.
Deposit date:2021-06-05
Release date:2021-11-03
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses.
Emerg Microbes Infect, 11, 2022
6XF6
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BU of 6xf6 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
2G89
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BU of 2g89 by Molmil
L. casei thymidylate synthase Y261A in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-02
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
2G86
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BU of 2g86 by Molmil
L. casei thymidylate synthase Y261F in complex with substrate, dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Finer-Moore, J.S, Stroud, R.M.
Deposit date:2006-03-01
Release date:2006-03-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of protein dynamics in thymidylate synthase catalysis: variants of conserved 2'-deoxyuridine 5'-monophosphate (dUMP)-binding Tyr-261
Biochemistry, 45, 2006
7RW2
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BU of 7rw2 by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 5-7 in complex with prefusion SARS-CoV-2 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, 5-7 heavy chain, ...
Authors:Cerutti, G, Shapiro, L.
Deposit date:2021-08-19
Release date:2021-09-01
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Neutralizing antibody 5-7 defines a distinct site of vulnerability in SARS-CoV-2 spike N-terminal domain.
Cell Rep, 37, 2021
7SUS
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BU of 7sus by Molmil
Crystal structure of Apelin receptor in complex with small molecule
Descriptor: (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ...
Authors:Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7VRG
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BU of 7vrg by Molmil
Crystal structure of chitinase-h from O. furnacalis in complex with Lynamicin B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Lu, Q, Liu, T, Zhou, Y, Yang, Q.
Deposit date:2021-10-22
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lynamicin B is a Potential Pesticide by Acting as a Lepidoptera-Exclusive Chitinase Inhibitor.
J.Agric.Food Chem., 69, 2021
9B0M
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BU of 9b0m by Molmil
Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, L-dopachrome isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax
To be published
4DDP
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BU of 4ddp by Molmil
crystal structure of Beclin 1 evolutionarily conserved domain(ECD)
Descriptor: Beclin-1
Authors:Huang, W.J, Choi, W.Y, Wang, J.W, Shi, Y.G.
Deposit date:2012-01-19
Release date:2012-02-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:Crystal structure and biochemical analyses reveal Beclin 1 as a novel membrane binding protein
Cell Res., 2012
5ZAT
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BU of 5zat by Molmil
Crystal structure of 5-carboxylcytosine containing decamer dsDNA
Descriptor: DNA (5'-D(*CP*CP*AP*GP*(CAC)P*GP*CP*TP*GP*G)-3')
Authors:Fu, T.R, Zhang, L.
Deposit date:2018-02-08
Release date:2019-02-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
5ZAS
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BU of 5zas by Molmil
Crystal structure of 5-formylcytosine containing decamer dsDNA
Descriptor: BICARBONATE ION, DNA (5'-D(*CP*CP*AP*GP*(5FC)P*GP*CP*TP*GP*G)-3')
Authors:Fu, T.R, Zhang, L.
Deposit date:2018-02-08
Release date:2019-02-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
7THK
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BU of 7thk by Molmil
Cryo-EM structure of prefusion SARS-CoV-2 spike omicron B.1.1.529 variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Shapiro, L.
Deposit date:2022-01-11
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Cryo-EM structure of the SARS-CoV-2 Omicron spike.
Cell Rep, 38, 2022
6XOQ
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BU of 6xoq by Molmil
DCN1 covalently bound to inhibitor 4
Descriptor: (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide, Lysozyme, DCN1-like protein 1 chimera
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XON
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BU of 6xon by Molmil
DCN1 bound to inhibitor 9
Descriptor: (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOO
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BU of 6xoo by Molmil
DCN1 bound to DI-1859
Descriptor: Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOM
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BU of 6xom by Molmil
DCN1 bound to 8
Descriptor: (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ...
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOL
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BU of 6xol by Molmil
DCN1 bound to DI-1548
Descriptor: Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
6XOP
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BU of 6xop by Molmil
DCN1 bound to inhibitor 10
Descriptor: Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Authors:Stuckey, J.A.
Deposit date:2020-07-07
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021

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