cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.15134657
title: Table 1 in Probing of the plasticity of the active site in pinene synthase elucidates its potential evolutionary mechanism

description: Table 1 Major products (%±SD) of WT α- pinene synthase and enzymes with mutations.
EnzymesRelative Proportion of Products (%)Unknownα- pinenesabinenelimoneneUnknownUnknownActivity(% WT)RT = 4.52RT = 7.05RT = 8.55RT = 11.05RT = 11.58RT = 12.72PS-WT0.31 ± 0.0297.86 ± 0.210.96 ± 0.000.26 ± 0.010.54 ± 0.050.07 ± 0.00100F482A0.05 ± 0.004.43 ± 0.0393.21 ± 0.061.59 ± 0.050.72 ± 0.030.00 ± 0.0046.63 ± 4.47S491A0.46 ± 0.0197.28 ± 0.091.14 ± 0.000.12 ± 0.000.99 ± 0.060.00 ± 0.00128.90 ± 4.19F482I1.27 ± 0.023.17 ± 0.0892.35 ± 0.210.66 ± 0.092.33 ± 0.080.23 ± 0.0018.36 ± 2.51F482L0.96 ± 0.062.03 ± 0.0394.26 ± 0.300.31 ± 0.011.91 ± 0.170.29 ± 0.0149.98 ± 39.78F482V1.03 ± 0.012.12 ± 0.0394.51 ± 0.070.30 ± 0.031.82 ± 0.060.23 ± 0.0029.50 ± 12.39F482T0.00 ± 0.003.53 ± 0.0093.91 ± 0.001.64 ± 0.040.92 ± 0.050.00 ± 0.0052.69 ± 3.17F482Y0.002.7131.0063.612.680.000.62F482R17.62 ± 6.210.00 ± 0.0018.96 ± 7.1931.04 ± 19.2727.33 ± 14.945.05 ± 0.511.28 ± 0.01F482W16.32 ± 5.330.00 ± 0.0029.92 ± 17.9021.67 ± 6.8427.35 ± 14.964.74 ± 0.451.54 ± 0.02I335A3.52 ± 0.0278.00 ± 0.0312.94 ± 0.000.57 ± 0.024.28 ± 0.030.67 ± 0.0054.36 ± 2.17F482A/S491A1.34 ± 0.114.17 ± 0.0188.40 ± 1.433.38 ± 0.142.36 ± 0.340.35 ± 0.0118.73 ± 0.13F482I/S491A0.63 ± 0.022.72 ± 0.0092.88 ± 0.452.40 ± 0.091.19 ± 0.080.18 ± 0.0028.74 ± 5.73
description: Published as part of Xu, Jingwei, Peng, Guanzu, Xu, Jinkun, Li, Yi, Tong, Li & Yang, Dong, 2021, Probing of the plasticity of the active site in pinene synthase elucidates its potential evolutionary mechanism, pp. 3 in Phytochemistry (112573) 181 on page 3, DOI: 10.1016/j.phytochem.2020.112573, http://zenodo.org/record/8291066
DOI: 10.25582/data.2024-04.3081769/2546789
title: Data for EMSL Project 47818 from April 2024
DOI: 10.25582/data.2024-04.3081770/2546790
title: Data for EMSL Project 47818 from April 2024
DOI: 10.25582/data.2024-04.3081771/2546791
title: Data for EMSL Project 47818 from April 2024
DOI: 10.5517/cc4gg9b
title: CCDC 133061: Experimental Crystal Structure Determination

description: Related Article: Taehee Noh, Kyungmoon Jeon, Youngmee Jeong, Shinho Jang, Kil Sik Min|1999|J.Chem.Soc.,Perkin Trans.2||1299|doi:10.1039/a902714i
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4gqdp
title: CCDC 133312: Experimental Crystal Structure Determination

description: Related Article: A.-R.B.A.El-Gazzar, K.Scholten, Yiping Guo, K.Weissenbach, M.G.Hitzler, G.Roth, H.Fischer, J.C.Jochims|1999|J.Chem.Soc.,Perkin Trans.1||1999|doi:10.1039/a902505g
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4ggbc
title: CCDC 133062: Experimental Crystal Structure Determination

description: Related Article: I.Devillers, B.de Wergifosse, M.-P.Bruneau, B.Tinant, J.-P.Declercq, R.Touillaux, J.-F.Rees, J.Marchand-Brynaert|1999|J.Chem.Soc.,Perkin Trans.2||1481|doi:10.1039/a900289h
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4ggcd
title: CCDC 133063: Experimental Crystal Structure Determination

description: Related Article: I.Devillers, B.de Wergifosse, M.-P.Bruneau, B.Tinant, J.-P.Declercq, R.Touillaux, J.-F.Rees, J.Marchand-Brynaert|1999|J.Chem.Soc.,Perkin Trans.2||1481|doi:10.1039/a900289h
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4ggdf
title: CCDC 133064: Experimental Crystal Structure Determination

description: Related Article: I.Devillers, B.de Wergifosse, M.-P.Bruneau, B.Tinant, J.-P.Declercq, R.Touillaux, J.-F.Rees, J.Marchand-Brynaert|1999|J.Chem.Soc.,Perkin Trans.2||1481|doi:10.1039/a900289h
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4ggfg
title: CCDC 133065: Experimental Crystal Structure Determination

description: Related Article: B.Bueno, B.Esteve, J.Irurre, E.Brillas, X.Torrelles, J.Rius, A.Alvarez-Larena, J.F.Piniella, C.Aleman, L.Julia|1999|J.Chem.Soc.,Perkin Trans.2||1503|doi:10.1039/a900148d
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3t2b9
title: CCDC 113470: Experimental Crystal Structure Determination

description: Related Article: H.Takagi, T.Hayashi, T.Mizutani, H.Masuda, H.Ogoshi|1999|J.Chem.Soc.,Perkin Trans.1||1885|doi:10.1039/a809834d
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4gggh
title: CCDC 133066: Experimental Crystal Structure Determination

description: Related Article: B.Bueno, B.Esteve, J.Irurre, E.Brillas, X.Torrelles, J.Rius, A.Alvarez-Larena, J.F.Piniella, C.Aleman, L.Julia|1999|J.Chem.Soc.,Perkin Trans.2||1503|doi:10.1039/a900148d
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4g580
title: CCDC 132781: Experimental Crystal Structure Determination

description: Related Article: B.L.Booth, F.A.T.Costa, Z.Mahmood, R.G.Pritchard, M.F.Proenca|1999|J.Chem.Soc.,Perkin Trans.1||1853|doi:10.1039/a901332f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4g591
title: CCDC 132782: Experimental Crystal Structure Determination

description: Related Article: B.L.Booth, F.A.T.Costa, Z.Mahmood, R.G.Pritchard, M.F.Proenca|1999|J.Chem.Soc.,Perkin Trans.1||1853|doi:10.1039/a901332f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4g57z
title: CCDC 132780: Experimental Crystal Structure Determination

description: Related Article: T.J.Chow, Yung-Son Hon, Chung-Chi Jen, Jyh-Haur Chern, Kuan-Jiuh Lin|1999|J.Chem.Soc.,Perkin Trans.1||1847|doi:10.1039/a901536a
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4fzbv
title: CCDC 132597: Experimental Crystal Structure Determination

description: Related Article: M.Ikeda, M.Hamada, T.Yamashita, K.Matsui, T.Sato, H.Ishibashi|1999|J.Chem.Soc.,Perkin Trans.1||1949|doi:10.1039/a900467j
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4g5b2
title: CCDC 132783: Experimental Crystal Structure Determination

description: Related Article: G.Mehta, P.V.V.S.Sarma, R.Uma, S.Pogodin, S.Cohen, I.Agranat|1999|J.Chem.Soc.,Perkin Trans.1||1871|doi:10.1039/a900768g
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4fz9t
title: CCDC 132596: Experimental Crystal Structure Determination

description: Related Article: A.Rae, A.E.Aliev, J.E.Anderson, J.L.Castro, J.Ker, S.Parsons, M.Stchedroff, S.Thomas, A.B.Tabor|1999|J.Chem.Soc.,Perkin Trans.1||1933|doi:10.1039/a902667c
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4fzcw
title: CCDC 132598: Experimental Crystal Structure Determination

description: Related Article: Jia-Hai Ye, Ke-Qing Ling, Yan Zhang, Ning Li, Jian-Hua Xu|1999|J.Chem.Soc.,Perkin Trans.1||2017|doi:10.1039/a902728i
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc45ypx
title: CCDC 124889: Experimental Crystal Structure Determination

description: Related Article: T.Szymanska-Buzar, T.Glowiak|1998|J.Organomet.Chem.|564|143|doi:10.1016/S0022-328X(98)00584-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc45yqy
title: CCDC 124890: Experimental Crystal Structure Determination

description: Related Article: T.Szymanska-Buzar, T.Glowiak|1999|J.Organomet.Chem.|575|98|doi:10.1016/S0022-328X(98)00982-6
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4ggmn
title: CCDC 133071: Experimental Crystal Structure Determination

description: Related Article: M.Depature, D.Siri, J.Grimaldi, J.Hatem, R.Faure|1999|Tetrahedron Lett.|40|4547|doi:10.1016/S0040-4039(99)00806-0
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4ggnp
title: CCDC 133072: Experimental Crystal Structure Determination

description: Related Article: M.Depature, D.Siri, J.Grimaldi, J.Hatem, R.Faure|1999|Tetrahedron Lett.|40|4547|doi:10.1016/S0040-4039(99)00806-0
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3m11s
title: CCDC 107664: Experimental Crystal Structure Determination

description: Related Article: H.Takemura, K.Otsuka, N.Kon, M.Yasutake, T.Shinmyozu, T.Inazu|1999|Tetrahedron Lett.|40|5561|doi:10.1016/S0040-4039(99)01037-0
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc416t5
title: CCDC 120336: Experimental Crystal Structure Determination

description: Related Article: S.J.Stachel, J.W.Ziller, D.L.Van Vranken|1999|Tetrahedron Lett.|40|5811|doi:10.1016/S0040-4039(99)01135-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4gk04
title: CCDC 133145: Experimental Crystal Structure Determination

description: Related Article: M.C.Gimeno, P.G.Jones, A.Laguna, C.Sarroca|1998|Polyhedron|17|3681|doi:10.1016/S0277-5387(98)00129-6
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4gk15
title: CCDC 133146: Experimental Crystal Structure Determination

description: Related Article: M.C.Gimeno, P.G.Jones, A.Laguna, C.Sarroca|1998|Polyhedron|17|3681|doi:10.1016/S0277-5387(98)00129-6
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4gk26
title: CCDC 133147: Experimental Crystal Structure Determination

description: Related Article: M.C.Gimeno, P.G.Jones, A.Laguna, C.Sarroca|1998|Polyhedron|17|3681|doi:10.1016/S0277-5387(98)00129-6
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4gjps
title: CCDC 133135: Experimental Crystal Structure Determination

description: Related Article: J.J.Vittal, P.A.W.Dean|1998|Polyhedron|17|1937|doi:10.1016/S0277-5387(97)00530-5
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4gjqt
title: CCDC 133136: Experimental Crystal Structure Determination

description: Related Article: J.J.Vittal, P.A.W.Dean|1998|Polyhedron|17|1937|doi:10.1016/S0277-5387(97)00530-5
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3jy4p
title: CCDC 105652: Experimental Crystal Structure Determination

description: Related Article: P.Sevillano, A.Habtemariam, A.Castineiras, M.E.Garcia, P.J.Sadler|1999|Polyhedron|18|383|doi:10.1016/S0277-5387(98)00307-6
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc4gjnr
title: CCDC 133134: Experimental Crystal Structure Determination

description: Related Article: E.C.Constable, J.E.Davies, D.Phillips, P.R.Raithby|1998|Polyhedron|17|3989|doi:10.1016/S0277-5387(98)00197-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3jy3n
title: CCDC 105651: Experimental Crystal Structure Determination

description: Related Article: P.Sevillano, A.Habtemariam, A.Castineiras, M.E.Garcia, P.J.Sadler|1999|Polyhedron|18|383|doi:10.1016/S0277-5387(98)00307-6
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3k6jc
title: CCDC 105912: Experimental Crystal Structure Determination

description: Related Article: V.P.Balema, S.Blaurock, E.Hey-Hawkins|1999|Polyhedron|18|545|doi:10.1016/S0277-5387(98)00330-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3fcql
title: CCDC 102229: Experimental Crystal Structure Determination

description: Related Article: T.Gupta, M.K.Saha, S.Sen, S.Mitra, A.J.Edwards, W.Clegg|1999|Polyhedron|18|197|doi:10.1016/S0277-5387(98)00285-X
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3k6lf
title: CCDC 105914: Experimental Crystal Structure Determination

description: Related Article: V.P.Balema, S.Blaurock, E.Hey-Hawkins|1999|Polyhedron|18|545|doi:10.1016/S0277-5387(98)00330-1
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3dt9l
title: CCDC 101689: Experimental Crystal Structure Determination

description: Related Article: L.S.Ahmed, W.Clegg, D.A.Davies, J.R.Dilworth, M.R.J.Elsegood, D.V.Griffiths, L.Horsburgh, J.R.Miller, N.Wheatley|1999|Polyhedron|18|593|doi:10.1016/S0277-5387(98)00339-8
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3dtfq
title: CCDC 101693: Experimental Crystal Structure Determination

description: Related Article: L.S.Ahmed, W.Clegg, D.A.Davies, J.R.Dilworth, M.R.J.Elsegood, D.V.Griffiths, L.Horsburgh, J.R.Miller, N.Wheatley|1999|Polyhedron|18|593|doi:10.1016/S0277-5387(98)00339-8
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/cc3dyfv
title: CCDC 101817: Experimental Crystal Structure Determination

description: Related Article: M.C.Barral, R.Jimenez-Aparicio, D.Perez-Quintanilla, E.Pinilla, J.L.Priego, E.C.Royer, F.A.Urbanos|1999|Polyhedron|18|371|doi:10.1016/S0277-5387(98)00305-2
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.