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7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7W29
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BU of 7w29 by Molmil
Crystal Structure of SETD3-SAH in complex with betaA-Orn73 peptide
Descriptor: Actin, cytoplasmic 1, N-terminally processed, ...
Authors:Li, H, Ma, H.
Deposit date:2021-11-23
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Histidine methyltransferase SETD3 methylates structurally diverse histidine mimics in actin.
Protein Sci., 31, 2022
7W28
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BU of 7w28 by Molmil
Crystal Structure of SETD3-SAH in complex with betaA-4PyrAla73 peptide
Descriptor: Actin, cytoplasmic 1, Histone-lysine N-methyltransferase setd3, ...
Authors:Li, H, Ma, H.
Deposit date:2021-11-22
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Histidine methyltransferase SETD3 methylates structurally diverse histidine mimics in actin.
Protein Sci., 31, 2022
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
Authors:Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
Deposit date:2022-05-30
Release date:2022-09-14
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Descriptor: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN5
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BU of 6jn5 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23
Descriptor: Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN3
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BU of 6jn3 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.216 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JQ2
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BU of 6jq2 by Molmil
Crystal Structure of H2-Kb in complex with a DPAGT1 self-peptide
Descriptor: Beta-2-microglobulin, DPATG1 antigen SIIVFNLV, H-2 class I histocompatibility antigen, ...
Authors:Bai, P, Yin, L.
Deposit date:2019-03-28
Release date:2020-04-01
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-03-13
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JQ3
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BU of 6jq3 by Molmil
Crystal Structure of H2-Kb in complex with a DPAGT1 mutant peptide
Descriptor: Beta-2-microglobulin, DPAGT1 mutant antigen SIIVFNLL, H-2 class I histocompatibility antigen, ...
Authors:Bai, P, Zhou, Q, Wei, P, Yin, L.
Deposit date:2019-03-28
Release date:2020-05-06
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
6JTN
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BU of 6jtn by Molmil
Crystal structure of HLA-C08 in complex with a tumor mut10m peptide
Descriptor: 10-mer peptide, Beta-2-microglobulin, HLA class I antigen, ...
Authors:Bai, P, Zhou, Q, Wei, P, Yin, L.
Deposit date:2019-04-11
Release date:2020-04-15
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
6JTP
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BU of 6jtp by Molmil
Crystal structure of HLA-C08 in complex with a tumor mut9m peptide
Descriptor: 9-mer peptide, Beta-2-microglobulin, HLA class I antigen, ...
Authors:Bai, P, Zhou, Q, Wei, P, Lei, Y.
Deposit date:2019-04-11
Release date:2020-04-15
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy.
Oncoimmunology, 10, 2021
8JZU
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BU of 8jzu by Molmil
SLC15A4_TASL complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, TLR adapter,Green fluorescent protein, TSLAA-EGPF tag fusion protein
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZS
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BU of 8jzs by Molmil
Outward-facing SLC15A4 dimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, lysosomal transporter
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
8JZR
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BU of 8jzr by Molmil
Outward_facing SLC15A4 monomer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, lysosomal transporter,ALFA tag
Authors:Zhang, S.S, Chen, X.D, Xie, M.
Deposit date:2023-07-06
Release date:2023-09-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis for recruitment of TASL by SLC15A4 in human endolysosomal TLR signaling.
Nat Commun, 14, 2023
7VUN
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BU of 7vun by Molmil
Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction
Descriptor: (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B.
Deposit date:2021-11-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
7EPM
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BU of 7epm by Molmil
human LDHC complexed with NAD+ and ethylamino acetic acid
Descriptor: 2-(ethylamino)-2-oxidanylidene-ethanoic acid, L-lactate dehydrogenase C chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2021-04-27
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of human LDHC4 as a potential target for anticancer drug discovery.
Acta Pharm Sin B, 12, 2022
7DH7
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BU of 7dh7 by Molmil
Crystal structure of apo XcZur
Descriptor: PHOSPHATE ION, Transcriptional regulator fur family, ZINC ION
Authors:Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H.
Deposit date:2020-11-13
Release date:2021-06-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
7DH8
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BU of 7dh8 by Molmil
Crystal structure of holo XcZur
Descriptor: Transcriptional regulator fur family, ZINC ION
Authors:Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H.
Deposit date:2020-11-13
Release date:2021-06-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator.
Nucleic Acids Res., 49, 2021
7F90
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BU of 7f90 by Molmil
Crystal structure of SARS auxiliary protein in complex with human nuclear protein
Descriptor: Nuclear pore complex protein Nup98-Nup96, ORF6 protein, mRNA export factor
Authors:Gao, X, Cui, S.
Deposit date:2021-07-03
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural basis for Sarbecovirus ORF6 mediated blockage of nucleocytoplasmic transport
Nat Commun, 13, 2022
7F60
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BU of 7f60 by Molmil
Crystal structure of auxiliary protein in complex with human nuclear protein
Descriptor: Nuclear pore complex protein Nup98-Nup96, ORF6 protein, mRNA export factor
Authors:Gao, X, Cui, S.
Deposit date:2021-06-23
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis for Sarbecovirus ORF6 mediated blockage of nucleocytoplasmic transport
Nat Commun, 13, 2022
7CKM
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BU of 7ckm by Molmil
Structure of Machupo virus polymerase bound to Z matrix protein (monomeric complex)
Descriptor: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Xu, X, Peng, R, Peng, Q, Shi, Y.
Deposit date:2020-07-17
Release date:2021-05-05
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals
Nat Microbiol, 6, 2021
7CKL
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BU of 7ckl by Molmil
Structure of Lassa virus polymerase bound to Z matrix protein
Descriptor: MANGANESE (II) ION, RING finger protein Z, RNA-directed RNA polymerase L, ...
Authors:Xu, X, Peng, R, Peng, Q, Shi, Y.
Deposit date:2020-07-17
Release date:2021-05-05
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Cryo-EM structures of Lassa and Machupo virus polymerases complexed with cognate regulatory Z proteins identify targets for antivirals
Nat Microbiol, 6, 2021

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