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7F6M
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BU of 7f6m by Molmil
Crystal structure of APC complexed with a peptide inhibitor MAI-516
Descriptor: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Song, K, Zhang, J.
Deposit date:2021-06-25
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Efficient Adenomatous Polyposis Coli - Rho Guanine Nucleotide Exchange Factor 4 Inhibitors by Employing High Binding Affinity Tracer
To Be Published
7F7O
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BU of 7f7o by Molmil
APC-Asef FP assay tracer
Descriptor: Adenomatous polyposis coli protein, N-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide, Tracer 7
Authors:Yang, X, Zhang, J.
Deposit date:2021-06-30
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The tracer of FP assay for screening APC-Asef inhbitors
To Be Published
5EJD
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BU of 5ejd by Molmil
The crystal structure of holo T3CT
Descriptor: 4'-PHOSPHOPANTETHEINE, GLYCEROL, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-11-01
Release date:2016-10-19
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5EGF
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BU of 5egf by Molmil
The crystal structure of SeMet-CT
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-10-27
Release date:2016-10-19
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
8XG2
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BU of 8xg2 by Molmil
The structure of HLA-A/Pep14
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Spike protein S1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-14
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XES
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BU of 8xes by Molmil
The structure of HLA-A/L1-1
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Major capsid protein L1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-12
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XFZ
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BU of 8xfz by Molmil
The structure of HLA-A/L1-2
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Major capsid protein L1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-14
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XKE
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BU of 8xke by Molmil
The structure of HLA-A/14-3-D
Descriptor: Beta-2-microglobulin, GLU-VAL-ASP-ASN-ALA-THR-ARG-PHE-ALA-SER-VAL-TYR, HLA class I heavy chain
Authors:Zhang, J.N, Yue, C, Liu, J, Sun, Z.Y.
Deposit date:2023-12-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
8XKC
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BU of 8xkc by Molmil
The structure of HLA-A/Pep16
Descriptor: Beta-2-microglobulin, HLA class I heavy chain, Spike protein S1
Authors:Zhang, J.N, Yue, C, Liu, J.
Deposit date:2023-12-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Uncommon P1 Anchor-featured Viral T Cell Epitope Preference within HLA-A*2601 and HLA-A*0101 Individuals.
Immunohorizons, 8, 2024
7AZO
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BU of 7azo by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-977
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G.
Deposit date:2020-11-17
Release date:2022-06-01
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7AZS
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BU of 7azs by Molmil
70S thermus thermophilus ribosome with bound antibiotic lead SEQ-569
Descriptor: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate, 16S rRNA, 23S rRNA, ...
Authors:Jenner, L.B, Yusupov, M, Yusupova, G, Rak, A.
Deposit date:2020-11-17
Release date:2022-06-08
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
7AMT
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BU of 7amt by Molmil
Structure of LuxR with DNA (activation)
Descriptor: DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
7AMN
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BU of 7amn by Molmil
Structure of LuxR with DNA (repression)
Descriptor: DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR
Authors:Liu, B, Reverter, D.
Deposit date:2020-10-09
Release date:2021-03-31
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression.
Nucleic Acids Res., 49, 2021
5DIJ
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BU of 5dij by Molmil
The crystal structure of CT
Descriptor: CHLORIDE ION, GLYCEROL, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-09-01
Release date:2016-09-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
5DLK
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BU of 5dlk by Molmil
The crystal structure of CT mutant
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, TqaA
Authors:Zhang, J.R, Tang, Y, Zhou, J.H.
Deposit date:2015-09-06
Release date:2016-09-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of nonribosomal peptide macrocyclization in fungi
Nat.Chem.Biol., 12, 2016
6RX8
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BU of 6rx8 by Molmil
EDDS lyase variant D290M/Y320M with bound fumarate
Descriptor: Argininosuccinate lyase, FUMARIC ACID, SODIUM ION
Authors:Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H.
Deposit date:2019-06-07
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners.
Angew.Chem.Int.Ed.Engl., 59, 2020
6RXA
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BU of 6rxa by Molmil
EDDS lyase variant D290M/Y320M with bound formate
Descriptor: Argininosuccinate lyase, FORMIC ACID, GLYCEROL, ...
Authors:Grandi, E, Poelarends, G.J, Thunnissen, A.M.W.H.
Deposit date:2019-06-07
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Engineered C-N Lyase: Enantioselective Synthesis of Chiral Synthons for Artificial Dipeptide Sweeteners.
Angew.Chem.Int.Ed.Engl., 59, 2020
7KGY
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BU of 7kgy by Molmil
Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide
Descriptor: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL
Authors:Simpson, J.B, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
7KGZ
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BU of 7kgz by Molmil
FMN-binding beta-glucuronidase from Roseburia hominis
Descriptor: Beta-glucuronidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Walker, M.E, Redinbo, M.R.
Deposit date:2020-10-19
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
8AG1
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BU of 8ag1 by Molmil
Crystal structure of a novel OX40 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ...
Authors:Gao, H, Zhou, A.
Deposit date:2022-07-19
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.303 Å)
Cite:Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
3DJ1
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BU of 3dj1 by Molmil
crystal structure of TIP-1 wild type
Descriptor: SULFATE ION, Tax1-binding protein 3
Authors:Shen, Y.
Deposit date:2008-06-21
Release date:2008-10-21
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of beta-Catenin Recognition by Tax-interacting Protein-1.
J.Mol.Biol., 384, 2008
3DJ3
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BU of 3dj3 by Molmil
Crystal Structure of C-terminal Truncated TIP-1 (6-113)
Descriptor: Tax1-binding protein 3
Authors:Shen, Y.
Deposit date:2008-06-21
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of beta-Catenin Recognition by Tax-interacting Protein-1
J.Mol.Biol., 384, 2008
3DIW
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BU of 3diw by Molmil
c-terminal beta-catenin bound TIP-1 structure
Descriptor: Tax1-binding protein 3, decameric peptide form Catenin beta-1
Authors:Shen, Y.
Deposit date:2008-06-21
Release date:2008-10-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of beta-Catenin Recognition by Tax-interacting Protein-1
J.Mol.Biol., 384, 2008
4NSO
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BU of 4nso by Molmil
Crystal structure of the effector-immunity protein complex
Descriptor: Effector protein, Immunity protein
Authors:Dong, C.
Deposit date:2013-11-28
Release date:2014-04-16
Last modified:2014-06-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for recognition of the type VI spike protein VgrG3 by a cognate immunity protein.
Febs Lett., 588, 2014
3K5V
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BU of 3k5v by Molmil
Structure of Abl kinase in complex with imatinib and GNF-2
Descriptor: 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ...
Authors:Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A.
Deposit date:2009-10-08
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors.
Nature, 463, 2010

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