7WC6
 
 | | Crystal structure of serotonin 2A receptor in complex with LSD | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Cao, D, Yu, J, Wang, H, Luo, Z, Liu, X, He, L, Qi, J, Fan, L, Tang, L, Chen, Z, Li, J, Cheng, J, Wang, S. | | 登録日 | 2021-12-18 | | 公開日 | 2022-01-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based discovery of nonhallucinogenic psychedelic analogs.
Science, 375, 2022
|
|
7VOD
 | | Crystal structure of 5-HT2AR in complex with cariprazine | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S. | | 登録日 | 2021-10-13 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties.
Nat.Neurosci., 25, 2022
|
|
7VOE
 | | Crystal structure of 5-HT2AR in complex with aripiprazole | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, ... | | 著者 | Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S. | | 登録日 | 2021-10-13 | | 公開日 | 2021-12-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties.
Nat.Neurosci., 25, 2022
|
|
8JT8
 | | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Chen, Z, Fan, L, Wang, S. | | 登録日 | 2023-06-21 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Flexible scaffold-based cheminformatics approach for polypharmacological drug design.
Cell, 187, 2024
|
|
1B65
 | | Structure of l-aminopeptidase d-ala-esterase/amidase from ochrobactrum anthropi, a prototype for the serine aminopeptidases, reveals a new variant among the ntn hydrolase fold | | 分子名称: | PROTEIN (AMINOPEPTIDASE) | | 著者 | Bompard-Gilles, C, Villeret, V, Davies, G.J, Fanuel, L, Joris, B, Frere, J.M, Van Beeumen, J. | | 登録日 | 1999-01-20 | | 公開日 | 1999-07-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | A new variant of the Ntn hydrolase fold revealed by the crystal structure
of L-aminopeptidase D-ala-esterase/amidase from Ochrobactrum anthropi.
Structure Fold.Des., 8, 2000
|
|
4RUQ
 | | Carp Fishelectin, apo form | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fish-egg lectin, ... | | 著者 | Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L. | | 登録日 | 2014-11-21 | | 公開日 | 2015-04-08 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Three-dimensional structure and ligand-binding site of carp fishelectin (FEL).
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4RUS
 | | Carp Fishelectin, holo form | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L. | | 登録日 | 2014-11-21 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Three-dimensional structure and ligand-binding site of carp fishelectin (FEL).
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4X80
 | | Crystal Structure of murine 7B4 Fab monoclonal antibody against ADAMTS5 | | 分子名称: | IgG1 7B4 FAB Heavy chain, IgG1 7B4 FAB Light Chain | | 著者 | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | | 登録日 | 2014-12-09 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification.
Osteoarthr. Cartil., 23, 2015
|
|
4X8J
 | | Crystal Structure of murine 12F4 Fab monoclonal antibody against ADAMTS5 | | 分子名称: | 12F4 FAB Heavy chain, 12F4 FAB Light chain, NONAETHYLENE GLYCOL, ... | | 著者 | Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J. | | 登録日 | 2014-12-10 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification.
Osteoarthr. Cartil., 23, 2015
|
|
5FYX
 | | Crystal structure of Drosophila NCS-1 bound to penothiazine FD16 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FREQUENIN 2, ... | | 著者 | Martinez-Gonzalez, L, Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J. | | 登録日 | 2016-03-10 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6STR
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | 登録日 | 2019-09-11 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STQ
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | 登録日 | 2019-09-11 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STN
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | 登録日 | 2019-09-11 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STM
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) | | 分子名称: | Arundo donax Lectin (ADL), GLYCEROL | | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | 登録日 | 2019-09-11 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STP
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with sialic acid | | 分子名称: | Arundo donax Lectin (ADL), GLYCEROL, N-acetyl-alpha-neuraminic acid | | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | 登録日 | 2019-09-11 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STO
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ... | | 著者 | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | 登録日 | 2019-09-11 | | 公開日 | 2021-07-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6EPA
 | | Structure of dNCS-1 bound to the NCS-1/Ric8a protein/protein interaction regulator IGS-1.76 | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, FI18190p1, ... | | 著者 | Sanchez-Barrena, M.J, Daniel, M, Infantes, L. | | 登録日 | 2017-10-11 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Deciphering the Inhibition of the Neuronal Calcium Sensor 1 and the Guanine Exchange Factor Ric8a with a Small Phenothiazine Molecule for the Rational Generation of Therapeutic Synapse Function Regulators.
J. Med. Chem., 61, 2018
|
|
5G08
 | | Crystal structure of Drosophila NCS-1 bound to chlorpromazine | | 分子名称: | 1,2-ETHANEDIOL, 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, ... | | 著者 | Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J. | | 登録日 | 2016-03-17 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
1EI5
 | | CRYSTAL STRUCTURE OF A D-AMINOPEPTIDASE FROM OCHROBACTRUM ANTHROPI | | 分子名称: | D-AMINOPEPTIDASE | | 著者 | Bompard-Gilles, C, Remaut, H, Villeret, V, Prange, T, Fanuel, L, Joris, J, Frere, J.-M, Van Beeumen, J. | | 登録日 | 2000-02-24 | | 公開日 | 2000-10-04 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of a D-aminopeptidase from Ochrobactrum anthropi, a new member of the 'penicillin-recognizing enzyme' family.
Structure Fold.Des., 8, 2000
|
|
3OXI
 | | Design and Synthesis of Disubstituted Thiophene and Thiazole Based Inhibitors of JNK for the Treatment of Neurodegenerative Diseases | | 分子名称: | Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8 interacting protein 1, methyl 3-[(thiophen-2-ylacetyl)amino]thiophene-2-carboxylate | | 著者 | Hom, R.K, Bowers, S, Sealy, J, Truong, A, Probst, G.D, Neitzel, M, Neitz, J, Fang, L, Brogley, L, Wu, J, Konradi, A.W, Sham, H, Toth, G, Pan, H, Yao, N, Artis, D.R. | | 登録日 | 2010-09-21 | | 公開日 | 2011-05-04 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
5AAN
 | | Crystal structure of Drosophila NCS-1 bound to penothiazine FD44 | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CG5907-PA, ... | | 著者 | Chaves-Sanjuan, A, Infantes, L, Sanchez-Barrena, M.J. | | 登録日 | 2015-07-27 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
4AW2
 | | Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) | | 分子名称: | 1,2-ETHANEDIOL, 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate, SERINE/THREONINE-PROTEIN KINASE MRCK ALPHA | | 著者 | Elkins, J.M, Muniz, J.R.C, Tan, I, Leung, T, Lafanechere, L, Prudent, R, Abdul Azeez, K, Szklarz, M, Phillips, C, Wang, J, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | | 登録日 | 2012-05-30 | | 公開日 | 2012-06-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Cdc42 Binding Protein Kinase Alpha (Mrck Alpha)
To be Published
|
|
5MOB
 | | ABA RECEPTOR FROM TOMATO, SlPYL1 | | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, SULFATE ION, SlPYL1_ABA | | 著者 | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | | 登録日 | 2016-12-14 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.669 Å) | | 主引用文献 | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
|
|
5ER4
 | | Crystal Structure of Calcium-loaded S100B bound to SC0025 | | 分子名称: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, CALCIUM ION, Protein S100-B | | 著者 | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | | 登録日 | 2015-11-13 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.813 Å) | | 主引用文献 | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
5ER5
 | | Crystal Structure of Calcium-loaded S100B bound to SC1990 | | 分子名称: | CALCIUM ION, ETHIDIUM, Protein S100-B | | 著者 | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | | 登録日 | 2015-11-13 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
|
|
