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5HYJ
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BU of 5hyj by Molmil
1E6 TCR in Complex with HLA-A02 carrying AQWGPDPAAA
Descriptor: ALA-GLN-TRP-GLY-PRO-ASP-PRO-ALA-ALA-ALA, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K.
Deposit date:2016-02-01
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A "hotspot" for autoimmune T cells in type 1 diabetes.
J.Clin.Invest., 126, 2016
6QZY
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BU of 6qzy by Molmil
full length OphA V406P in complex with SAH
Descriptor: ASN-GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-PRO-ILE-GLY, MAGNESIUM ION, Peptide N-methyltransferase, ...
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
6R00
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BU of 6r00 by Molmil
OphA DeltaC6 V404F complex with SAH
Descriptor: PHE-PRO-TRP-MVA-ILE-MVA-PHE-GLY-VAL-ILE-GLY-VAL-ILE-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-03-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
5HKH
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BU of 5hkh by Molmil
Crystal structure of Ufm1 in complex with UBA5
Descriptor: ASP-ASN-GLU-TRP-GLY-ILE-GLU-LEU-VAL, Ubiquitin-fold modifier 1
Authors:Huber, J, Doetsch, V, Rogov, V.V, Akutsu, M.
Deposit date:2016-01-14
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and Functional Analysis of a Novel Interaction Motif within UFM1-activating Enzyme 5 (UBA5) Required for Binding to Ubiquitin-like Proteins and Ufmylation.
J.Biol.Chem., 291, 2016
6TYU
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BU of 6tyu by Molmil
Structure of Ku80 von Willebrand domain complexed with MRI Ku Binding Motif
Descriptor: LYS-THR-ARG-VAL-LEU-PRO-SER-TRP-LEU-THR-ALA, X-ray repair cross-complementing protein 5
Authors:Min, J, Pedersen, L.C.
Deposit date:2019-08-09
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46862721 Å)
Cite:Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 2019
6C3T
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BU of 6c3t by Molmil
AMYLOID FORMING PEPTIDE AADTWE FROM TRANSTHYRETIN WITH ATTR-D38A MUTATION ASSOCIATED WITH A FAMILIAL FORM OF TRANSTHYRETIN AMYLOIDOSIS
Descriptor: ALA-ALA-ASP-THR-TRP-GLU
Authors:Sievers, S.A, Sawaya, M.R, Saelices, L, Eisenberg, D.S.
Deposit date:2018-01-10
Release date:2018-04-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structures of amyloidogenic segments of human transthyretin.
Protein Sci., 27, 2018
7T3H
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BU of 7t3h by Molmil
MicroED structure of Dynobactin
Descriptor: TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE
Authors:Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S.
Deposit date:2021-12-07
Release date:2022-10-19
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
5TDA
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BU of 5tda by Molmil
Crystal structure of the UBR-box domain from UBR2 in complex with RLWS N-degron
Descriptor: ARG-LEU-TRP-SER peptide, E3 ubiquitin-protein ligase UBR2, ZINC ION
Authors:Munoz-Escobar, J, Kozlov, G, Gehring, K.
Deposit date:2016-09-19
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (0.79 Å)
Cite:Bound Waters Mediate Binding of Diverse Substrates to a Ubiquitin Ligase.
Structure, 25, 2017
7JYA
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BU of 7jya by Molmil
Crystal structure of E3 ligase in complex with peptide
Descriptor: ASN-ARG-ARG-ARG-ARG-TRP-ARG-GLU-ARG-GLN-ARG, Protein fem-1 homolog C, UNKNOWN ATOM OR ION
Authors:Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
Deposit date:2020-08-30
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
8EBK
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BU of 8ebk by Molmil
Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog
Descriptor: ACE-LEU-THR-PHE-0EH-GLU-TYR-TRP-ALA-GLN-LEU-MK8-SER-ALA-ALA, HDMX
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-08-31
Release date:2023-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structure Analysis of xHDMX in complex with the stapled peptide PROTAC analog
To Be Published
8GJS
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BU of 8gjs by Molmil
Stapled Peptide ALRN-6924 Bound to MDMX
Descriptor: ACE-LEU-THR-PHE-ALA-GLU-TYR-TRP-ALA-GLN-LEU-DAL-ALA-ALA-ALA-ALA-ALA-DAL, Protein Mdm4
Authors:Graves, B.J, Janson, C, Lukacs, C.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Sulanemadlin (ALRN-6924), the First Cell-Permeating, Stabilized alpha-Helical Peptide in Clinical Development.
J.Med.Chem., 66, 2023
1TP5
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BU of 1tp5 by Molmil
Crystal structure of PDZ3 domain of PSD-95 protein complexed with a peptide ligand KKETWV
Descriptor: LYS-LYS-GLU-THR-TRP-VAL peptide ligand, Presynaptic density protein 95
Authors:Saro, D, Wawrzak, Z, Martin, P, Vickrey, J, Paredes, A, Kovari, L, Spaller, M.
Deposit date:2004-06-15
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structure of the third PDZ domain of PSD-95 protein complexed with KKETWV peptide ligand
To be Published
1U85
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BU of 1u85 by Molmil
ARG326-TRP mutant of the third zinc finger of BKLF
Descriptor: Kruppel-like factor 3, ZINC ION
Authors:Cram, E.D, Mackay, J.P, Matthews, J.M.
Deposit date:2004-08-05
Release date:2005-08-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures of tryptophan-containing CCHH zinc finger mutants
To be Published
7VQH
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BU of 7vqh by Molmil
Solution NMR structure of Escherichia coli Total Lipid Extract Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
5KH4
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BU of 5kh4 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) with FARNESYL DIPHOSPHATE
Descriptor: FARNESYL DIPHOSPHATE, Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH2
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BU of 5kh2 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS)
Descriptor: Isoprenyl transferase
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KH5
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BU of 5kh5 by Molmil
Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Descriptor: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
Authors:Concha, N.O.
Deposit date:2016-06-14
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
7VQI
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BU of 7vqi by Molmil
Solution NMR structure of Pseudomonas aeruginosa Lipopolysaccharide (LPS) Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
7YG3
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BU of 7yg3 by Molmil
Crystal structure of HLA-B*13:01
Descriptor: ARG-GLN-ASP-ILE-LEU-ASP-LEU-TRP-ILE, Beta-2-microglobulin, MHC class I antigen
Authors:Wang, H.S, Ouyang, S.Y.
Deposit date:2022-07-11
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Functional and structural characteristics of HLA-B*13:01-mediated specific T cells reaction in dapsone-induced drug hypersensitivity.
J.Biomed.Sci., 29, 2022
8A42
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BU of 8a42 by Molmil
Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with an unknown peptide
Descriptor: Oligopeptide-binding protein AmiA, Unknown peptide
Authors:Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.
Deposit date:2022-06-10
Release date:2023-12-20
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
1LZG
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BU of 1lzg by Molmil
DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEN EGG WHITE LYSOZYME
Authors:Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I.
Deposit date:1995-02-10
Release date:1995-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity.
J.Mol.Biol., 247, 1995
5A55
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BU of 5a55 by Molmil
The native structure of GH101 from Streptococcus pneumoniae TIGR4
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A5A
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BU of 5a5a by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A59
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BU of 5a59 by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
1LZE
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BU of 1lze by Molmil
DISSECTION OF PROTEIN-CARBOHYDRATE INTERACTIONS IN MUTANT HEN EGG-WHITE LYSOZYME COMPLEXES AND THEIR HYDROLYTIC ACTIVITY
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEN EGG WHITE LYSOZYME
Authors:Maenaka, K, Matsushima, M, Song, H, Watanabe, K, Kumagai, I.
Deposit date:1995-02-10
Release date:1995-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dissection of protein-carbohydrate interactions in mutant hen egg-white lysozyme complexes and their hydrolytic activity.
J.Mol.Biol., 247, 1995

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