cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q25m68hp
title: BindingDB Entry 50003987: Beta-homo-amino acid scan of angiotensin IV.

description: Small molecule binding data for protein Aminopeptidase and Angiotensin II receptor, Uniprot A0A024RC61, P15144, P30556, Q53YY0, and Q9UIQ6
DOI: 10.7270/q29c716z
title: BindingDB Entry 50003986: Coupling substrate and ion binding to extracellular gate of a sodium-dependent aspartate transporter.

description: Small molecule binding data for protein Glutamate transporter homolog, Uniprot O59010
DOI: 10.7270/q21v5hrh
title: BindingDB Entry 50003988: 4'-Methyl-4,5'-bithiazole-based correctors of defective delta F508-CFTR cellular processing.

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot A0A024R730 and P13569
DOI: 10.7270/q2sb48hr
title: BindingDB Entry 50003990: Structure of the deacetylase LpxC bound to the antibiotic CHIR-090: Time-dependent inhibition and specificity in ligand binding.

description: Small molecule binding data for protein UDP-3-O-acyl-GlcNAc deacetylase and UDP-3-O-acyl-N-acetylglucosamine deacetylase, Uniprot A0A6D2XJB8, C6ARS9, and P0A725
DOI: 10.7270/q2x3517g
title: BindingDB Entry 50003989: Signal peptide peptidase and gamma-secretase share equivalent inhibitor binding pharmacology.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2nk3hs1
title: BindingDB Entry 50003991: Latrunculin A and its C-17-O-carbamates inhibit prostate tumor cell invasion and HIF-1 activation in breast tumor cells.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2ht2s4m
title: BindingDB Entry 50003992: The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q28d0024
title: BindingDB Entry 50003994: Molecular-targeted antitumor agents: the Saururus cernuus dineolignans manassantin B and 4-O-demethylmanassantin B are potent inhibitors of hypoxia-activated HIF-1.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2d50qrm
title: BindingDB Entry 50003993: A refined pharmacophore model for HIV-1 integrase inhibitors: Optimization of potency in the 1H-benzylindole series.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q24m97bv
title: BindingDB Entry 50003995: A new antimalarial quassinoid from Simaba orinocensis.

description: Small molecule binding data for protein Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha, Uniprot A0A384MEK5, P05107, P05362, and P20701
DOI: 10.7270/q20v8gkp
title: BindingDB Entry 50003996: Isolation, structure, absolute stereochemistry, and HIV-1 integrase inhibitory activity of integrasone, a novel fungal polyketide.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2w38033
title: BindingDB Entry 50003997: First synthesis and determination of the absolute configuration of sulphostin, a novel inhibitor of dipeptidyl peptidase IV.

description: Small molecule binding data for protein Dipeptidyl peptidase IV, Uniprot P14740
DOI: 10.7270/q2rb77cc
title: BindingDB Entry 50003998: Quantitative structure activity relationship studies on thiourea analogues as influenza virus neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2gx4fbn
title: BindingDB Entry 50004000: Bioactive peroxides as potential therapeutic agents.

description: Small molecule binding data for protein Aldose reductase, Cyclooxygenase, Monoamine transporter, PKC alpha and beta-2, Prostaglandin E synthase/G/H synthase 2, Protein kinase C iota type/zeta type, Protein kinase C, PKC; classical/novel, Sodium-dependent dopamine transporter, and Sodium-dependent serotonin transporter, Uniprot A0A024R328, A0A024R6T9, L7RSM7, L7RTI5, P05129, P05771, P07943, P17252, P23219, P23975, P31645, P35354, Q01959, Q02156, Q05513, and Q05655
DOI: 10.7270/q2mk6gp3
title: BindingDB Entry 50003999: Phenolic and triterpene glycosides from the stems of Ilex litseaefolia.

description: Small molecule binding data for protein Alpha glucosidase, Uniprot P10253
DOI: 10.7270/q23n265k
title: BindingDB Entry 50004003: Dihydroxystyrene metabolites from an association of the sponges Poecillastra wondoensis and Jaspis sp.

description: Small molecule binding data for protein Isocitrate lyase, Uniprot Q9P8Q7
DOI: 10.7270/q27d2xxz
title: BindingDB Entry 50004002: Sesterterpenoids from the sponge Sarcotragus sp.

description: Small molecule binding data for protein Isocitrate lyase, Uniprot Q9P8Q7
DOI: 10.7270/q2c53pnp
title: BindingDB Entry 50004001: QSAR study of neuraminidase inhibitors based on heuristic method and radial basis function network.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2v40xzg
title: BindingDB Entry 50004005: Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2zw1ppw
title: BindingDB Entry 50004004: Predicting binding modes from free energy calculations.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2qc069f
title: BindingDB Entry 50004006: Combination of non-natural D-amino acid derivatives and allophenylnorstatine-dimethylthioproline scaffold in HIV protease inhibitors have high efficacy in mutant HIV.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2kp84xk
title: BindingDB Entry 50004007: Synthesis and antibacterial activity of novel pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid derivatives carrying the 3-cyclopropylaminomethyl-4-substituted-1-pyrrolidinyl group as a C-10 substituent.

description: Small molecule binding data for protein DNA Gyrase, Uniprot A0A068A4Y4, P0A0K8, and P20831
DOI: 10.7270/q2b56njr
title: BindingDB Entry 50004009: Parallel one-pot synthesis and structure-activity relationship study of symmetric formimidoester disulfides as a novel class of potent non-nucleoside HIV-1 reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2fx7d85
title: BindingDB Entry 50004008: Design of antiangiogenic hypoxic cell radiosensitizers: 2-nitroimidazoles containing a 2-aminomethylene-4-cyclopentene-1,3-dione moiety.

description: Small molecule binding data for protein MER intracellular domain/EGFR extracellular domain chimera, Matrix metalloproteinase 2/9, Matrix metalloproteinase-9, and Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR), Uniprot A0A024R6R4, L7RSL3, P00533, P08253, P17948, and P52176
DOI: 10.7270/q26d5wsk
title: BindingDB Entry 50004010: Antimalarial, cytotoxic, and antifungal alkaloids from Duguetia hadrantha.

description: Small molecule binding data for protein Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha, Uniprot A0A384MEK5, P05107, P05362, and P20701
DOI: 10.7270/q22n552n
title: BindingDB Entry 50004012: The complestatins as HIV-1 integrase inhibitors. Efficient isolation, structure elucidation, and inhibitory activities of isocomplestatin, chloropeptin I, new complestatins, A and B, and acid-hydrolysis products of chloropeptin I.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2t43ww0
title: BindingDB Entry 50004014: The pyrophosphate analogue foscarnet traps the pre-translocational state of HIV-1 reverse transcriptase in a Brownian ratchet model of polymerase translocation.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2xw4nkz
title: BindingDB Entry 50004013: Selective inhibition of porcine endogenous retrovirus replication in human cells by acyclic nucleoside phosphonates.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2jq13t6
title: BindingDB Entry 50004016: Interaction between HIV-1 Rev and integrase proteins: a basis for the development of anti-HIV peptides.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2pg1vh3
title: BindingDB Entry 50004015: HIV-1 reverse transcriptase plus-strand initiation exhibits preferential sensitivity to non-nucleoside reverse transcriptase inhibitors in vitro.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q2dz0c3w
title: BindingDB Entry 50004017: Phenotypic and structural analyses of hepatitis C virus NS3 protease Arg155 variants: sensitivity to telaprevir (VX-950) and interferon alpha.

description: Small molecule binding data for protein NS3 protease, Uniprot C1KIQ2
DOI: 10.7270/q2959mbg
title: BindingDB Entry 50004018: Enzymatic therapeutic index of acyclovir. Viral versus human polymerase gamma specificity.

description: Small molecule binding data for protein DNA polymerase gamma subunit 1, Uniprot E5KNU5 and P54098
DOI: 10.7270/q25d8vmr
title: BindingDB Entry 50004019: Distinct structural changes in a G protein-coupled receptor caused by different classes of agonist ligands.

description: Small molecule binding data for protein Muscarinic receptor M2 and M3, Uniprot P08483
DOI: 10.7270/q21n83xv
title: BindingDB Entry 50004020: Structure of compstatin in complex with complement component C3c reveals a new mechanism of complement inhibition.

description: Small molecule binding data for protein Complement C3, Uniprot P01024 and V9HWA9
DOI: 10.7270/q2ww7mhg
title: BindingDB Entry 50004021: Thiocarbamates as non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 2: Parallel synthesis, molecular modelling and structure-activity relationship studies on analogues of O-(2-phenylethyl)-N-phenylthiocarbamate.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2ng4tfm
title: BindingDB Entry 50004023: Design, synthesis, inhibitory activity, and SAR studies of hydrophobic p-aminosalicylic acid derivatives as neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2s75k3f
title: BindingDB Entry 50004022: Synthesis, structure and antibacterial activity of novel 1-(5-substituted-3-substituted-4,5-dihydropyrazol-1-yl)ethanone oxime ester derivatives.

description: Small molecule binding data for protein DNA Gyrase, Uniprot A0A068A4Y4, P0A0K8, and P20831
DOI: 10.7270/q2cz39xn
title: BindingDB Entry 50004025: 1,5-Disubstituted 1,2,3-triazoles as cis-restricted analogues of combretastatin A-4: Synthesis, molecular modeling and evaluation as cytotoxic agents and inhibitors of tubulin.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2hq42pt
title: BindingDB Entry 50004024: Carboxymethylated pyridoindole antioxidants as aldose reductase inhibitors: Synthesis, activity, partitioning, and molecular modeling.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2862k6n
title: BindingDB Entry 50004026: Synthesis and structure-activity relationship of histone deacetylase (HDAC) inhibitors with triazole-linked cap group.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q24f1thc
title: BindingDB Entry 50004027: Vanillic acid glycoside and quinic acid derivatives from Gardeniae Fructus.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q20p12tg
title: BindingDB Entry 50004028: Biotransformation of (-)-ambrox by cell suspension cultures of Actinidia deliciosa.

description: Small molecule binding data for protein Thymidine Phosphorylase (TP), Uniprot P07650
DOI: 10.7270/q2r78j1z
title: BindingDB Entry 50004030: Biological activities and 3D QSAR studies of a series of Delisea pulchra (cf. fimbriata) derived natural products.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2w098qt
title: BindingDB Entry 50004029: Discorhabdin P, a new enzyme inhibitor from a deep-water Caribbean sponge of the genus Batzella.

description: Small molecule binding data for protein Caspase-3, Uniprot P42574
DOI: 10.7270/q2mg7s97
title: BindingDB Entry 50004031: Oculatol, oculatolide, and A-nor sterols from the sponge Haliclona oculata.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Prostaglandin E synthase/G/H synthase 2, and Protein-tyrosine phosphatase 1B, Uniprot A8K3M3, P18031, P22303, and P35354
DOI: 10.7270/q2bz68tq
title: BindingDB Entry 50004033: Structures and aldose reductase inhibitory effects of bromophenols from the red alga Symphyocladia latiuscula.

description: Small molecule binding data for protein Aldose reductase, Uniprot A0A024R7A8 and P15121
DOI: 10.7270/q2gq71jf
title: BindingDB Entry 50004032: Sodwanone and yardenone triterpenes from a South African species of the marine sponge Axinella inhibit hypoxia-inducible factor-1 (HIF-1) activation in both breast and prostate tumor cells.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2765j45
title: BindingDB Entry 50004034: Constituents of the leaves of Macaranga tanarius.

description: Small molecule binding data for protein Prostaglandin G/H synthase (cyclooxygenase), Uniprot Q05769
DOI: 10.7270/q23j3grv
title: BindingDB Entry 50004035: Terpenoid tetrahydroisoquinoline alkaloids emetine, klugine, and isocephaeline inhibit the activation of hypoxia-inducible factor-1 in breast tumor cells.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2v127nw
title: BindingDB Entry 50004037: A new flavonol glycoside gallate ester from Acer okamotoanum and its inhibitory activity against human immunodeficiency virus-1 (HIV-1) integrase.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2zs30bv
title: BindingDB Entry 50004036: Friedelane triterpenoids from Maytenus macrocarpa.

description: Small molecule binding data for protein Aldose reductase, Uniprot A0A024R7A8 and P15121
DOI: 10.7270/q2fr00dm
title: BindingDB Entry 50004040: A new tyrosine kinase inhibitor from the marine brown alga Stypopodium zonale.

description: Small molecule binding data for protein SRC, Uniprot A0A0S2Z3Y8 and P06239
DOI: 10.7270/q2q81gwq
title: BindingDB Entry 50004038: Sesterterpenoids, terretonins A-D, and an alkaloid, asterrelenin, from Aspergillus terreus.

description: Small molecule binding data for protein Alpha glucosidase, Uniprot O43451 and P14410
DOI: 10.7270/q2kh0r4z
title: BindingDB Entry 50004039: New phenolic and quinone-methide triterpenes from Maytenus amazonica.

description: Small molecule binding data for protein Aldose reductase, Uniprot A0A024R7A8 and P15121
DOI: 10.7270/q26976b6
title: BindingDB Entry 50004042: Anti-HIV-1 protease triterpenoid saponins from the seeds of Aesculus chinensis.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.15156/bio/sh377773.07fu
title: SH377773.07FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh377774.07fu
title: SH377774.07FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1743279.08fu
title: SH1743279.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1743280.08fu
title: SH1743280.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1743281.08fu
title: SH1743281.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh377775.07fu
title: SH377775.07FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh377776.07fu
title: SH377776.07FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.