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1DF6
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BU of 1df6 by Molmil
1H NMR SOLUTION STRUCTURE OF CYCLOVIOLACIN O1
Descriptor: CYCLOVIOLACIN O1
Authors:Craik, D.J, Daly, N.L, Bond, T, Waine, C.
Deposit date:1999-11-17
Release date:2000-03-01
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Plant cyclotides: A unique family of cyclic and knotted proteins that defines the cyclic cystine knot structural motif.
J.Mol.Biol., 294, 1999
1FYB
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BU of 1fyb by Molmil
SOLUTION STRUCTURE OF C1-T1, A TWO-DOMAIN PROTEINASE INHIBITOR DERIVED FROM THE CIRCULAR PRECURSOR PROTEIN NA-PROPI FROM NICOTIANA ALATA
Descriptor: PROTEINASE INHIBITOR
Authors:Craik, D.J, Schirra, H.J, Scanlon, M.J, Anderson, M.A.
Deposit date:2000-09-28
Release date:2001-02-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The solution structure of C1-T1, a two-domain proteinase inhibitor derived from a circular precursor protein from Nicotiana alata.
J.Mol.Biol., 306, 2001
1HVZ
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BU of 1hvz by Molmil
RTD-1, A CYCLIC ANTIMICROBIAL DEFENSIN FROM RHESUS MACAQUE LEUKOCYTES
Descriptor: THETA DEFENSIN 1
Authors:Craik, D.J, Trabi, M, Schirra, H.J.
Deposit date:2001-01-09
Release date:2001-05-30
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Three-dimensional structure of RTD-1, a cyclic antimicrobial defensin from Rhesus macaque leukocytes.
Biochemistry, 40, 2001
2ERI
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BU of 2eri by Molmil
Solution structure of circulin B
Descriptor: Circulin B
Authors:Craik, D.J, Daly, N.L.
Deposit date:2005-10-24
Release date:2005-11-15
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structure of circullin B and implications for antimicrobial activity of the cyclotides
INT.J.PEPT.PROTEIN RES., 11, 2005
2FQC
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BU of 2fqc by Molmil
Solution structure of conotoxin pl14a
Descriptor: Alpha/kappa-conotoxin pl14a
Authors:Craik, D.J, Daly, N.L.
Deposit date:2006-01-18
Release date:2006-07-18
Last modified:2020-06-24
Method:SOLUTION NMR
Cite:A Novel Conotoxin Inhibitor of Kv1.6 Channel and nAChR Subtypes Defines a New Superfamily of Conotoxins
Biochemistry, 45, 2006
7RIJ
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BU of 7rij by Molmil
[I11G]hyen D
Descriptor: ACETATE ION, Cyclotide hyen-D, D-[I11L]hyen D
Authors:Du, Q, Huang, Y.H, Wang, C.K, Craik, D.J.
Deposit date:2021-07-20
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
7RIH
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BU of 7rih by Molmil
hyen D
Descriptor: CITRATE ANION, Cyclotide hyen-D, D-[I11L]hyen D
Authors:Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K.
Deposit date:2021-07-20
Release date:2021-09-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
7RII
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BU of 7rii by Molmil
[I11L]hyen D crystal structure
Descriptor: Cyclotide hyen-D, PHOSPHATE ION
Authors:Du, Q, Huang, Y.H, Craik, D.J, Wang, C.K.
Deposit date:2021-07-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Enabling efficient folding and high-resolution crystallographic analysis of bracelet cyclotides
Molecules, 26(18), 2021
1KAL
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BU of 1kal by Molmil
ELUCIDATION OF THE PRIMARY AND THREE-DIMENSIONAL STRUCTURE OF THE UTEROTONIC POLYPEPTIDE KALATA B1
Descriptor: KALATA B1
Authors:Craik, D.J, Norman, D.G.
Deposit date:1995-01-13
Release date:1995-03-31
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Elucidation of the primary and three-dimensional structure of the uterotonic polypeptide kalata B1.
Biochemistry, 34, 1995
1EYO
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BU of 1eyo by Molmil
SOLUTION STRUCTURE OF CONOTOXIN TVIIA FROM CONUS TULIPA
Descriptor: CONOTOXIN TVIIA
Authors:Hill, J.M, Alewood, P.F, Craik, D.J.
Deposit date:2000-05-07
Release date:2000-09-06
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Conotoxin TVIIA, a novel peptide from the venom of Conus tulipa 2. Three-dimensional solution structure.
Eur.J.Biochem., 267, 2000
1EWS
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BU of 1ews by Molmil
THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE RABBIT KIDNEY DEFENSIN, RK-1
Descriptor: RK-1 DEFENSIN
Authors:McManus, A.M, Dawson, N.F, Wade, J.D, Craik, D.J.
Deposit date:2000-04-26
Release date:2001-05-02
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Three-dimensional structure of RK-1: a novel alpha-defensin peptide.
Biochemistry, 39, 2000
4GUX
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BU of 4gux by Molmil
Crystal structure of trypsin:MCoTi-II complex
Descriptor: ACETATE ION, CALCIUM ION, Cationic trypsin, ...
Authors:King, G.J, Daly, N.L, Thorstholm, L, Greenwood, K.P, Rosengren, K.J, Heras, B, Craik, D.J, Martin, J.L.
Deposit date:2012-08-30
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Structural insights into the role of the cyclic backbone in a squash trypsin inhibitor
J.Biol.Chem., 288, 2013
5INZ
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BU of 5inz by Molmil
Racemic structure of baboon theta defensin-2
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Theta defensin-2, ...
Authors:Wang, C.K, King, G.J, Conibear, A.C, Ramos, M.C, Craik, D.J.
Deposit date:2016-03-08
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Mirror Images of Antimicrobial Peptides Provide Reflections on Their Functions and Amyloidogenic Properties.
J.Am.Chem.Soc., 138, 2016
6VY8
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BU of 6vy8 by Molmil
NMR solution structure of a triazole bridged trypsin inhibitor based on the framework of SFTI-1
Descriptor: Trypsin inhibitor GLY-ARG-RVJ-THR-LYS-SER-ILE-PRO-PRO-ILE-2AG-PHE-PRO-ASP
Authors:White, A.M, Harvey, P.J, Durek, T, Craik, D.J.
Deposit date:2020-02-25
Release date:2020-07-01
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 2020
8TYI
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BU of 8tyi by Molmil
NMR structure of L5pG ([p23W, G24W]kalata B1)
Descriptor: Kalata-B1
Authors:Tian, S, Craik, D.J, Conan, K.W.
Deposit date:2023-08-25
Release date:2024-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nucleation of a key beta-turn promotes cyclotide oxidative folding.
J.Biol.Chem., 300, 2024
6CT4
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BU of 6ct4 by Molmil
TFE-induced NMR structure of an antimicrobial peptide (EcDBS1R5) derived from a mercury transporter protein (MerP - Escherichia coli)
Descriptor: EcDBS1R5
Authors:Cardoso, M.H, Chan, L.Y, Candido, E.S, Craik, D.J, Franco, O.L.
Deposit date:2018-03-22
Release date:2018-11-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:A Computationally Designed Peptide Derived from Escherichia coli as a Potential Drug Template for Antibacterial and Antibiofilm Therapies.
ACS Infect Dis, 4, 2018
6CT1
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BU of 6ct1 by Molmil
TFE-induced NMR structure of a novel bioactive peptide (PaDBS1R7) derived from a Pyrobaculum aerophilum ribosomal protein (L39e)
Descriptor: PaDBS1R7
Authors:Cardoso, M.H, Chan, L.Y, Candido, E.S, Torres, M.T, Oshiro, K.G.N, Silva, I.C, Goncalves, S, Buccini, D.F, Lu, T, Santos, N.C, de la Fuente-Nunez, C, Craik, D.J, Franco, O.L.
Deposit date:2018-03-21
Release date:2019-09-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An N-capping asparagine-lysine-proline (NKP) motif contributes to a hybrid flexible/stable multifunctional peptide scaffold
Chem Sci, 13, 2022
7S55
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BU of 7s55 by Molmil
NMR Solution Structure of Cter 27
Descriptor: Cliotide T10
Authors:Harvey, P.J, Dang, T.T, Craik, D.J.
Deposit date:2021-09-09
Release date:2022-07-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Mutagenesis of cyclotide Cter 27 exemplifies a robust folding strategy for bracelet cyclotides
Peptide Science, 2022
6MJD
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BU of 6mjd by Molmil
NMR Solution structure of GIIIC
Descriptor: ARG-ASP-CYS-CYS-THR-HYP-HYP-LYS-LYS-CYS-LYS-ASP-ARG-ARG-CYS-LYS-HYP-LEU-LYS-CYS-CYS-ALA-NH2
Authors:Harvey, P.J, Durek, T, Craik, D.J.
Deposit date:2018-09-20
Release date:2018-11-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Structure of mu-Conotoxin GIIIC: Leucine 18 Induces Local Repacking of the N-Terminus Resulting in Reduced NaVChannel Potency.
Molecules, 23, 2018
9BAF
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BU of 9baf by Molmil
Solution NMR structure of conofurin-Delta
Descriptor: Alpha-conotoxin LvIA
Authors:Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M.
Deposit date:2024-04-04
Release date:2024-07-03
Method:SOLUTION NMR
Cite:Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors.
J.Med.Chem., 67, 2024
1NBJ
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BU of 1nbj by Molmil
High-resolution solution structure of cycloviolacin O1
Descriptor: cycloviolacin O1
Authors:Rosengren, K.J, Daly, N.L, Plan, M.R, Waine, C, Craik, D.J.
Deposit date:2002-12-02
Release date:2003-03-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Twists, Knots, and Rings in Proteins. STRUCTURAL DEFINITION OF THE CYCLOTIDE FRAMEWORK.
J.Biol.Chem., 278, 2003
1NB1
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BU of 1nb1 by Molmil
High resolution solution structure of kalata B1
Descriptor: kalata B1
Authors:Rosengren, K.J, Daly, N.L, Plan, M.R, Waine, C, Craik, D.J.
Deposit date:2002-12-01
Release date:2003-03-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Twists, Knots, and Rings in Proteins. STRUCTURAL DEFINITION OF THE CYCLOTIDE FRAMEWORK
J.Biol.Chem., 278, 2003
1O8Z
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BU of 1o8z by Molmil
Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, cis-trans-trans conformer (ct-A)
Descriptor: CYCLIC TRYPSIN INHIBITOR
Authors:Marx, U.C, Craik, D.J.
Deposit date:2002-12-09
Release date:2003-03-13
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide
J.Biol.Chem., 278, 2003
6VXY
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BU of 6vxy by Molmil
Triazole bridged SFTI1 inhibitor in complex with beta-trypsin
Descriptor: 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ...
Authors:White, A.M, King, G.J, Durek, T, Craik, D.J.
Deposit date:2020-02-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 2020
7FBP
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BU of 7fbp by Molmil
FXIIa-cMCoFx1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1
Authors:Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K.
Deposit date:2021-07-12
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021

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