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6M0Y
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BU of 6m0y by Molmil
KR-12 analog derived from human LL-37
Descriptor: LYS-ARG-ILE-VAL-LYS-ARG-ILE-LYS-LYS-TRP-LEU-ARG
Authors:Yun, H, Min, H.J, Lee, C.W.
Deposit date:2020-02-24
Release date:2021-02-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR Structure and Bactericidal Activity of KR-12 Analog Derived from Human LL-37 as a Potential Cosmetic Preservative
To Be Published
6BJF
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BU of 6bjf by Molmil
NMR Structural and biophysical functional analysis of intracellular loop 5 of the NHE1 isoform of the Na+/H+ exchanger.
Descriptor: GLY-LEU-THR-TRP-PHE-ILE-ASN-LYS-PHE-ARG-ILE-VAL-LYS
Authors:McKay, R, Wong, K, Towle, K, Fliegel, L.
Deposit date:2017-11-06
Release date:2018-11-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Diverse residues of intracellular loop 5 of the Na+/H+exchanger modulate proton sensing, expression, activity and targeting.
Biochim Biophys Acta Biomembr, 1861, 2019
6OQP
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BU of 6oqp by Molmil
U-AITx-Ate1
Descriptor: SER-LYS-TRP-ILE-CYS-ALA-ASN-ARG-SER-VAL-CYS-PRO-ILE
Authors:Elnahriry, K.A, Wai, D.C.C, Norton, R.S.
Deposit date:2019-04-28
Release date:2019-07-31
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Structural and functional characterisation of a novel peptide from the Australian sea anemone Actinia tenebrosa.
Toxicon, 168, 2019
7V5E
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BU of 7v5e by Molmil
Hyperdisulfide peptide from Schisandra chinensis
Descriptor: ILE-GLN-CYS-CYS-ARG-CYS-GLN-SER-TRP-PRO-TYR-MET-CYS-SER-VAL-PHE-CYS-CYS
Authors:Fan, J.S, Tang, F, Loo, S, Kam, A, Tam, J.P.
Deposit date:2021-08-17
Release date:2022-08-24
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:Hyperdisulfide peptide from Schisandra chinensis
To Be Published
7TRP
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BU of 7trp by Molmil
Human M4 muscarinic acetylcholine receptor complex with Gi1 and the agonist iperoxo and positive allosteric modulator LY2033298
Descriptor: 3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide, 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, Antibody fragment scFv16, ...
Authors:Vuckovic, Z, Mobbs, J.I, Belousoff, M.J, Glukhova, A, Sexton, P.M, Danev, R, Thal, D.M.
Deposit date:2022-01-30
Release date:2023-05-17
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural and dynamic mechanisms of allostery at the M4 muscarinic acetylcholine receptor
Elife, 2023
5TRP
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BU of 5trp by Molmil
Crystal Structure of the Unliganded DH270 Cooperating Lineage Member DH272
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH272 Fab heavy chain, DH272 Fab light chain, ...
Authors:Fera, D, Harrison, S.C.
Deposit date:2016-10-27
Release date:2017-03-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.692 Å)
Cite:Staged induction of HIV-1 glycan-dependent broadly neutralizing antibodies.
Sci Transl Med, 9, 2017
4TRP
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BU of 4trp by Molmil
Crystal structure of monoclonal antibody against neuroblastoma associated antigen.
Descriptor: Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen
Authors:Horwacik, I, Golik, P, Grudnik, P, Zdzalik, M, Rokita, H, Dubin, G.
Deposit date:2014-06-17
Release date:2015-07-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.
Mol.Cell Proteomics, 14, 2015
3TRP
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BU of 3trp by Molmil
Crystal structure of recombinant rabbit skeletal calsequestrin
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:Sanchez, E.J, Lewis, K.M, Munske, G.R, Nissen, M.S, Kang, C.
Deposit date:2011-09-09
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8817 Å)
Cite:High-capacity Ca2+ Binding of Human Skeletal Calsequestrin.
J.Biol.Chem., 287, 2012
6TRP
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BU of 6trp by Molmil
Solution Structure of Docking Domain Complex of Pax NRPS: PaxC NDD - PaxB CDD
Descriptor: Peptide synthetase XpsB,Peptide synthetase XpsB
Authors:Watzel, J, Hacker, C, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
Deposit date:2019-12-19
Release date:2020-08-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A New Docking Domain Type in the Peptide-Antimicrobial-Xenorhabdus Peptide Producing Nonribosomal Peptide Synthetase fromXenorhabdus bovienii.
Acs Chem.Biol., 15, 2020
3TRQ
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BU of 3trq by Molmil
Crystal structure of native rabbit skeletal calsequestrin
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:Sanchez, E.J, Lewis, K.M, Munske, G.R, Nissen, M.S, Kang, C.
Deposit date:2011-09-09
Release date:2011-12-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Glycosylation of Skeletal Calsequestrin: IMPLICATIONS FOR ITS FUNCTION.
J.Biol.Chem., 287, 2012
8TRP
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BU of 8trp by Molmil
Structure of a HEPES bound TRAP transporter substrate binding protein.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Isethionate-binding periplasmic protein DctP
Authors:Newton-Vesty, M.C, Dobson, R.C.J.
Deposit date:2023-08-10
Release date:2024-08-28
Last modified:2025-01-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:On the function of TRAP substrate-binding proteins: the isethionate-specific binding protein IseP.
Biochem.J., 481, 2024
5X54
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BU of 5x54 by Molmil
Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide
Descriptor: ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2017-02-14
Release date:2017-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
5VLK
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BU of 5vlk by Molmil
Short PCSK9 delta-P' complex with shrunken peptide bearing homo-Arginine
Descriptor: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2 peptide, ACE-TRP-ASN-LEU-VAL-HRG-ILE-GLY-LEU-LEU peptide, CALCIUM ION, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLH
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BU of 5vlh by Molmil
Short PCSK9 delta-P' complex with peptide Pep1
Descriptor: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-ARG-LEU-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-PRO-CYS, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5VLL
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BU of 5vll by Molmil
Short PCSK9 delta-P' complex with peptide Pep3
Descriptor: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-PHE-ILE-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-LEU-CYS, ...
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
5O4Y
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BU of 5o4y by Molmil
Structure of human PD-L1 in complex with inhibitor
Descriptor: PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2, Programmed cell death 1 ligand 1
Authors:Magiera, K, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2017-05-31
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint.
Angew. Chem. Int. Ed. Engl., 56, 2017
6TSC
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BU of 6tsc by Molmil
OphMA I407P complex with SAH
Descriptor: GLY-PHE-PRO-TRP-MVA-ILE-MVA-VAL-GLY-VAL-PRO-GLY, Peptide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Song, H, Naismith, J.H.
Deposit date:2019-12-20
Release date:2020-06-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Substrate Plasticity of a Fungal Peptide alpha-N-Methyltransferase.
Acs Chem.Biol., 15, 2020
8FYM
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BU of 8fym by Molmil
Crystal structure of Fab235 in complex with MPER peptide
Descriptor: ALA-SER-LEU-TRP-ASN-TRP-PHE-ASN-ILE-THR-ASN-TRP-LEU-TRP-TYR-ILE-LYS-LYS-LYS, CHLORIDE ION, Fab235, ...
Authors:Tan, K, Kim, M, Reinherz, E.L.
Deposit date:2023-01-26
Release date:2023-10-11
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inadequate structural constraint on Fab approach rather than paratope elicitation limits HIV-1 MPER vaccine utility.
Nat Commun, 14, 2023
5ZPW
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BU of 5zpw by Molmil
Generation of a long-acting fusion inhibitor against HIV-1
Descriptor: MET-THR-TRP-GLU-GLU-TRP-ASP-MK8-LYS-ILE-GLU-MK8-TYR-THR-MK8-LYS-ILE-GLU-MK8-LEU-ILE-LYS-LYS-SER, Transmembrane protein gp41
Authors:Guo, Y, Shi, X.L.
Deposit date:2018-04-16
Release date:2019-03-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Generation of a long-acting fusion inhibitor against HIV-1.
Medchemcomm, 9, 2018
6NSV
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BU of 6nsv by Molmil
Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide
Descriptor: ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ...
Authors:Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E.
Deposit date:2019-01-25
Release date:2019-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.305 Å)
Cite:Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
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
8TTI
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BU of 8tti by Molmil
Trp-6-Halogenase BorH complexed with FAD and Trp
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPTOPHAN, ...
Authors:Lingkon, K, Bellizzi, J.J.
Deposit date:2023-08-14
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
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
5N99
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BU of 5n99 by Molmil
CRYSTAL STRUCTURE OF STREPTAVIDIN with cyclic peptide NQpWQ
Descriptor: ASN-GLN-DPR-TRP-GLN, Streptavidin
Authors:Lyamichev, V, Goodrich, L, Sullivan, E, Bannen, R, Benz, J, Albert, T, Patel, J.
Deposit date:2017-02-24
Release date:2017-10-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Stepwise Evolution Improves Identification of Diverse Peptides Binding to a Protein Target.
Sci Rep, 7, 2017
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

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