Small Molecule Entries
Molecules of biological interest that do not fit the wwPDB's criteria. Data includes atomic coordinates, constraints, and other NMR data.
| Entry ID | Title |
|---|---|
| 15443 | Structural Study of Ac-Phe-[Orn-Pro-dCha-Trp-Arg], a Potent C5a Receptor Antagonist, by NMR |
| 16041 | FLNCCPGCCMEP_ReAsH_motif |
| 20001 | A novel lectin-like peptide from Odorrana grahami |
| 20002 | Solution structure of RgIA |
| 20003 | NMR Structure of Leucine-Enkephalin in Water |
| 20004 | NMR Solution Structure of Leucine-Enkephlain in DMPC+CHAPS (1:4) bicelles in 90% H2O/10% D2O of pH 6.6 at 298K |
| 20005 | NMR Solution Structure of Leucine-Enkephlain in DMPC+CHAPS (1:4) bicelles in 90% H2O/10% D2O of pH 6.6 at 298K |
| 20007 | Solution structure of conopressin-T |
| 20008 | Solution structure of L7P Conopressin-T |
| 20009 | NMR STRUCTURE OF THE MUTANT OF CHIGNOLIN, CLN025 |
| 20010 | Superimposed fifteen structures of 17-residue peptide corresponding to the segment within ice nucleation protein of X. campestris pv. campestris |
| 20011 | NMR STRUCTURE OF THE MUTANT OF CHIGNOLIN, CLN025 |
| 20012 | Tertiary structure and lipid interactions of short recombinant antimicrobial peptide |
| 20013 | Tertiary structure and lipid interactions of short recombinant antimicrobial peptide |
| 20014 | STRUCTURE OF ANTIBACTERIAL PEPTIDE CAPISTRUIN: A 19-RESIDUE LARIAT PROTOKNOT WITH A THREADED 9-MEMBER SIDECHAIN TO-BACKBONE RING |
| 20015 | NMR structure of a V3 (SF2 isolate) peptide |
| 20016 | NMR structure of Temporin-SHa in micellar SDS |
| 20017 | NMR structure of Temporin-SHb in micellar SDS |
| 20018 | NMR structure of Temporin-SHc in micellar SDS |
| 20019 | NMR structure of a V3 (MN isolate) peptide |
| 20020 | NMR structure of a V3 (LAI isolate) peptide |
| 20022 | 1H Chemical Shift Assignments for metastin analog, s5a |
| 20023 | Structure, dynamics and selectivity of the sodium channel blocker mu-conotoxin SIIIA |
| 20024 | NMR solution structure of mu-conotoxin TIIIA |
| 20025 | NMR solution structure of mu-conotoxin SIIIA |
| 20026 | Mutagenesis and nuclear magnetic resonance analyses of the fusion peptide of Helicoverpa armigera single nucleocapsid nucleopolyhedrovirus F protein |
| 20027 | Brome Mosaic Virus protein 1a Helix A bound to SDS micelle |
| 20028 | Structures of 1-15 peptide fragment of Statherin |
| 20029 | 13C and 1H atom assignments and structure for Apelin 17 (Human form) at 35C |
| 20030 | 13C, 1H chemical shifts and structure of apelin 17(human form, major conformation) at 5C |
| 20031 | 13C, 1H chemical shifts and structure of Apelin 17 (Human form, minor conformation at 5C) |
| 20032 | Solution structure of Gelatinase Biosynthesis-Activating Pheromone (GBAP), a 11-residue peptide lactone, from the Gram-positive bacterium Enterococcus faecalis |
| 20033 | Solution structure of dicarba-ImI: an alpha-conotoxin with a non-reducible cystine analogue |
| 20034 | Solution NMR Structure of 4F Associated With DMPC Disc |
| 20036 | Cyclic Pseudotetrapeptide L-Phe-L-Trp-L-Lys-L-Thr |
| 20037 | Cyclic Pseudotetrapeptide D-Phe-L-Trp-L-Lys-L-Thr |
| 20038 | Cyclic Pseudotetrapeptide L-Phe-D-Trp-L-Lys-L-Thr |
| 20039 | Cyclic Pseudotetrapeptide L-Phe-L-Trp-D-Lys-L-Thr |
| 20040 | Cyclic Pseudotetrapeptide D-Phe-D-Trp-D-Lys-L-Thr |
| 20041 | Cyclic Pseudotetrapeptide L-Phe-D-Trp-D-Lys-L-Thr |
| 20042 | Cyclic Pseudotetrapeptide L-Phe-L-Trp-D-Lys-D-Thr |
| 20043 | Cyclic Pseudotetrapeptide L-Phe-D-Trp-L-Lys-D-Thr |
| 20044 | NMR structure of the Interleukin-8 C-terminal domain in solution with SDS micelles |
| 20045 | SOLUTION NMR STRUCTURE OF HUMAN IAPP-1-19 |
| 20046 | SOLUTION NMR STRUCTURE OF RAT IAPP-1-19 |
| 20047 | INTERACTION OF THE DENGUE VIRUS FUSION PEPTIDE WITH MEMBRANES ASSESSED BY NMR: THE ESSENTIAL ROLE OF THE ENVELOPE PROTEIN TRP101 FOR MEMBRANE FUSION |
| 20048 | NMR solution structure of an analgesic Mu-contoxin KIIIA |
| 20049 | NMR solution structure of Mu-KIIIA[C1A,C9A] |
| 20050 | NMR STRUCTURE OF DPAKKR, A CYCLIC PENTAPEPTIDE MIMIC OF BDNF |
| 20051 | Biological and structural study of Obestatin and its analogues Structural importance of Obestatin and its biology |
| 20052 | Solution NMR Structure of Insulin A-chain peptide |
| 20053 | Solution NMR structure of Insulin A-chain variant peptide |
| 20054 | Tetramer of KIA7W peptide |
| 20055 | Tetramer of KIA7H peptide |
| 20056 | LSEAL penta-peptide Calpain inhibitor |
| 20057 | NMR structure of designed peptide, YI12WF in the presence of Lipopolysaccharide |
| 20058 | Solution structure of designed peptide, YI12WW in the presence of Lipopolysaccharide |
| 20059 | Solution structure of designed peptide, YI12WY in the presence of LPS bilayer |
| 20060 | Solution structure of designed peptide, YI12FF in the presence of LPS bilayer |
| 20061 | Solution structure of designed peptide GG8WF in the presence of LPS bilayer |
| 20062 | 3D NMR models of MBP83-99 peptide in DMSO |
| 20063 | NMR STRUCTURE OF A MODEL PEPTIDE BOUND TO GROEL |
| 20064 | Design, Synthesis, Biological Evaluation, and Structural Characterization of Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-tetrapeptide architectures |
| 20065 | Design, Synthesis, Biological Evaluation, and Structural Characterization of Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-tetrapeptide architectures |
| 20066 | Design, Synthesis, Biological Evaluation, and Structural Characterization of Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-tetrapeptide architectures |
| 20067 | Design, Synthesis, Biological Evaluation, and Structural Characterization of Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-tetrapeptide architectures |
| 20068 | Design, Synthesis, Biological Evaluation, and Structural Characterization of Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-tetrapeptide architectures |
| 20069 | Design, Synthesis, Biological Evaluation, and Structural Characterization of Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-tetrapeptide architectures |
| 20070 | Design, Synthesis, Biological Evaluation, and Structural Characterization of Potent Histone Deacetylase Inhibitors Based on Cyclic alpha/beta-tetrapeptide architectures |
| 20071 | Probing the Bioactive Conformation of an Archetypal Natural Product HDAC Inhibitor Using Conformationally Homogeneous Triazole-Modified Cyclic Tetrapeptides |
| 20072 | Probing the Bioactive Conformation of an Archetypal Natural Product HDAC Inhibitor Using Conformationally Homogeneous Triazole-Modified Cyclic Tetrapeptides |
| 20073 | Probing the Bioactive Conformation of an Archetypal Natural Product HDAC Inhibitor Using Conformationally Homogeneous Triazole-Modified Cyclic Tetrapeptides |
| 20074 | Protein Fibril |
| 20075 | Solution structure of the N(1-21)MeuTXK-beta in presence of TFE |
| 20076 | NMR Solution Structure of a TC5b_D9E miniprotein |
| 20078 | Solution Structure of Antimicrobial Peptide Hedistin |
| 20079 | NMR solution structure of the loopregion Tyr67 - Leu77 of visual arrestin in complex with lightactivated rhodopsin |
| 20080 | Structure and interactions in membranes of human and bovine Catestatin by solution and solid-state NMR spectroscopy |
| 20081 | solution structures of bradykinin - penta-O-galloyl-D-glucopyranose complexe |
| 20082 | Apelin17 bound to SDS micelles |
| 20084 | DIRHODIUM PEPTIDE COMPLEX |
| 20085 | Solution structure of SFT-L1 |
| 20086 | Helical Agonist of Nociceptin (NOP) Receptor |
| 20087 | Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice |
| 20088 | Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice |
| 20089 | Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice |
| 20090 | KAAAD, single alpha helix turn |
| 20091 | RSV_1nal |
| 20092 | To be advised |
| 20093 | REV_HIV peptides |
| 20094 | Effects of Peptoid Residue Substitutions on Structural Flexibility and Bacterial-Cell Selectivity of Piscidin 1 |
| 20095 | Effects of Peptoid Residue Substitutions on Structural Flexibility and Bacterial-Cell Selectivity of Piscidin 1 |
| 20098 | Effects of Peptoid Residue Substitutions on Structural Flexibility and Bacterial-Cell Selectivity of Piscidin 1 |
| 20101 | Lipid-induced Conformation of Substance P |
| 20102 | C-Terminal helix of the SERCA2b Ca2+ pump (ATP2A2B) |
| 20103 | Structural studies of antimicrobial peptide XT-7 and its Lysine4 analogue |
| 20104 | structural studies of antimicrobial peptide XT-7 and its Lysine mutated peptide |
| 20105 | BI-32169 |
| 20107 | NMR structure of conotoxin ImI analogue |
| 20108 | Conformational Flexibility of SecA IRA1 Loop Region |
| 20109 | CHARACTERIZATION OF THE LIGAND-FREE CONSTITUTIVE ACTIVITY OF THE THROMBOXANE A2 RECEPTOR BY THE INTEGRATED APPROACHES OF NMR SPECTROSCOPY AND A RECOMBINANT RECEPTOR |
| 20110 | Solution structure of PV1-VPgpU |
| 20111 | Conformational Flexibility of SecA IRA1 Loop Region |
| 20112 | CHARACTERIZATION OF THE LIGAND-FREE CONSTITUTIVE ACTIVITY OF THE THROMBOXANE A2 RECEPTOR BY THE INTEGRATED APPROACHES OF NMR SPECTROSCOPY AND A RECOMBINANT RECEPTOR |
| 20113 | 1H, 13C assignments and NMR structure of temporin-SHf |
| 20114 | alpha-conotoxin FI |
| 20115 | Substance P 40 structures in water pH 5.5 298 K NMR DATA & STRUCTURES |
| 20116 | Substance P in DMPC:CHAPS q=0.25 bicelles |
| 20117 | Substance P 40 structures in water pH 5.5 298 K NMR DATA & STRUCTURES |
| 20118 | A 15-residue peptide corresponding to the C-terminal domain of the Gq protein alpha subunit (Gaq-Ct peptide) was synthesized and characterized using NMR spectroscopic studies. |
| 20119 | Assembling NMR structures for the intracellular loops of the human thromboxane A2 receptor: Implication of the G protein-coupling pocket |
| 20121 | Tubulysin conformation bound to tubulin |
| 20122 | Solution structure of CCAP-vil with one disulfide bond from Conus villepinii |
| 20123 | NS4A(1-22) |
| 20124 | Structure and lipid interactions of an anti-atherogenic Apolipoprotein J peptide using solution NMR |
| 20125 | DPC micelle bound VK22 |
| 20126 | Alpha-conotoxin Vc1.2 |
| 20127 | Nociceptin Agonist |
| 20128 | solution structure of conotoxin qc16a |
| 21000 | Lasso peptide based integrin inhibitor: Microcin J25 variant with RGD substitution of Gly12-Ile13-Gly14 |
| 21001 | NMR solution of a tridimensional peptidic structure in bilayer lipids: Example with neurotensin in Small Unilamellar Vesicle environment |
| 21002 | Solution NMR structure of TZ2C-BG |
| 21006 | alpha-conotoxin ImI cystathionine 2-4 |
| 21007 | alpha-conotoxin ImI cystathionine 1-3 |
| 21008 | LPS bound structure of Temporin-1Tl |
| 21009 | The Binding Mechanism of a Peptidylic Cyclic Serine Protease Inhibitor - upain-1 |
| 21010 | The Binding Mechanism of a Peptidylic Cyclic Serine Protease Inhibitor - extended upain |
| 21011 | LPS bound structure of Cysteine deleted TachyplesinI |
| 21013 | DPC micelle bound RI23 |
| 21014 | solution structure of conotoxin lt14a |
| 21015 | solution structure of conotoxin pu14a |
| 21018 | Compstatin 10 |
| 21019 | NMR structure, localization and vesicle fusion of Chikungunya Virus Fusion Peptide |
| 21022 | MDCSGCSRPG cyclic + copper(I) from acidic |
| 21023 | MDCSGCSRPG head-to-tail cyclic peptide + Cu(I) no metal constraint - high energy ensemble (B) |
| 21024 | MDCSGCSRPG cyclic peptide bound to Cu(I) from acidic conditions |
| 21025 | MDCSGCSRPG+Zn from acidic conditions |
| 21026 | MDCSGCSRPG + Zn from basic conditions |
| 21027 | MDCSGCSRPG + Zn from basic conditions - tridentate binding |
| 21028 | MDCSGCSRPG-Zn-water complex from acidic conditions |
| 21031 | Solution structure of Lewis a [Gal-beta1_3-(Fuc-alpha1_4-)GlcNAc-beta-Me] |
| 21032 | Solution structure of 1,3-Fucosylated chitobiose |
| 21033 | Solution structure of Lewis x (Gal-beta1,4-[Fuc-alpha1,3]-GlcNAc-beta) attached to a protein |
| 21034 | Solution structure of Lewisx (Gal-beta1,4-[Fuc-alpha1,3-]GlcNAc-beta-OMe) at 277 K |
| 21035 | AIP-III |
| 21036 | AIP-III_D4A |
| 21037 | AIP-III_DF5 |
| 21038 | AIP-III_DL7 |
| 21039 | AIP-III_F5A cyclic peptide |
| 21040 | AIP-III_L7A |
| 21041 | tAIP-III |
| 21042 | tAIP-III_D2A |
| 21045 | AIP-I |
| 21046 | AIP-II |
| 21047 | AIP-IV |
| 21053 | Solution structure of fucosylated LacDiNAc (LDNF) |
| 21054 | Solution structure of the amphibian egg glycan Bv9 from Bombina variegata |
| 21056 | SFTI-TCTR N12 N14 NMeSer6 |
| 21057 | SFTI-TCTR N12 N14 |
| 21099 | Solution structure of U3-MYRTX-Tb1a peptide from Ant venom. |
| 21102 | Structure of Amphotericin B-Ergosterol Complex |
161 entries