7Q6V
| Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) | 分子名称: | (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one, ATPase family AAA domain-containing protein 2, SULFATE ION | 著者 | Patel, S.J, Winter-Holt, J.J. | 登録日 | 2021-11-09 | 公開日 | 2022-01-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models. J.Med.Chem., 65, 2022
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3UYJ
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8X2J
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4PQP
| Crystal structure of human SNX14 PX domain in space group P43212 | 分子名称: | GLYCEROL, Sorting nexin-14 | 著者 | Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B. | 登録日 | 2014-03-03 | 公開日 | 2014-09-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling. J.Biol.Chem., 289, 2014
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3UQR
| Crystal structure of BACE1 with its inhibitor | 分子名称: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (3.056 Å) | 主引用文献 | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases J.Med.Chem., 55, 2012
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4PV7
| Cocrystal structure of dipeptidyl-peptidase 4 with an indole scaffold inhibitor | 分子名称: | 1-[2-(2,4-dichlorophenyl)-1-(methylsulfonyl)-1H-indol-3-yl]methanamine, Dipeptidyl peptidase 4 soluble form | 著者 | Xiao, P, Guo, R, Huang, S, Cui, H, Ye, S, Zhang, Z. | 登録日 | 2014-03-15 | 公開日 | 2015-03-18 | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | 主引用文献 | Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold Chin.Chem.Lett., 25, 2014
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4PNI
| Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A | 分子名称: | 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide, CHLORIDE ION, Rhodopsin kinase | 著者 | Homan, K.T, Tesmer, J.J.G. | 登録日 | 2014-05-23 | 公開日 | 2014-10-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors. Acs Chem.Biol., 10, 2015
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3UDR
| Crystal Structure of BACE with Compound 14 | 分子名称: | 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | 著者 | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | 登録日 | 2011-10-28 | 公開日 | 2012-04-18 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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4MW0
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea (Chem 1392) | 分子名称: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | 登録日 | 2013-09-24 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MW1
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1444) | 分子名称: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | 登録日 | 2013-09-24 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.494 Å) | 主引用文献 | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4OLZ
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4OZQ
| Crystal structure of the mouse Kif14 motor domain | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Chimera of Maltose-binding periplasmic protein and Kinesin family member 14 protein | 著者 | Arora, K, Talje, L, Asenjo, A.B, Andersen, P, Atchia, K, Joshi, M, Sosa, H, Kwok, B.H, Allingham, J.S. | 登録日 | 2014-02-18 | 公開日 | 2014-07-09 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | KIF14 binds tightly to microtubules and adopts a rigor-like conformation. J.Mol.Biol., 426, 2014
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4OEM
| Crystal structure of Cathepsin C in complex with dipeptide substrates | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Zhao, B, Smallwood, A, Concha, N. | 登録日 | 2014-01-13 | 公開日 | 2015-03-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis. Biochemistry, 51, 2012
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4PQO
| Structure of the human SNX14 PX domain in space group I41 | 分子名称: | Sorting nexin-14 | 著者 | Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B. | 登録日 | 2014-03-03 | 公開日 | 2014-09-03 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling. J.Biol.Chem., 289, 2014
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4MW5
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea (Chem 1415) | 分子名称: | 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | 登録日 | 2013-09-24 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.347 Å) | 主引用文献 | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MVW
| Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) | 分子名称: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | 登録日 | 2013-09-24 | 公開日 | 2014-04-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.901 Å) | 主引用文献 | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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3W3A
| Crystal structure of V1-ATPase at 3.9 angstrom resolution | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | 著者 | Nagamatsu, Y, Takeda, K, Kuranaga, T, Numoto, N, Miki, K. | 登録日 | 2012-12-14 | 公開日 | 2013-05-15 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | 主引用文献 | Origin of Asymmetry at the Intersubunit Interfaces of V1-ATPase from Thermusthermophilus J.Mol.Biol., 425, 2013
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4Q8R
| Crystal structure of a Phosphate Binding Protein (PBP-1) from Clostridium perfringens | 分子名称: | PHOSPHATE ION, Phosphate ABC transporter, phosphate-binding protein, ... | 著者 | Gonzalez, D, Richez, M, Bergonzi, C, Chabriere, E, Elias, M. | 登録日 | 2014-04-28 | 公開日 | 2014-11-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structure of the phosphate-binding protein (PBP-1) of an ABC-type phosphate transporter from Clostridium perfringens. Sci Rep, 4, 2014
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3UCL
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4Q6X
| Structure of phospholipase D Beta1B1i from Sicarius terrosus venom at 2.14 A resolution | 分子名称: | MAGNESIUM ION, Phospholipase D StSicTox-betaIC1 | 著者 | Lajoie, D.M, Roberts, S.A, Zobel-Thropp, P.A, Binford, G.J, Cordes, M.H. | 登録日 | 2014-04-23 | 公開日 | 2015-03-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Variable Substrate Preference among Phospholipase D Toxins from Sicariid Spiders. J.Biol.Chem., 290, 2015
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3W3K
| Crystal structure of human TLR8 in complex with CL075 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine, ... | 著者 | Tanji, H, Ohto, U, Shimizu, T. | 登録日 | 2012-12-22 | 公開日 | 2013-04-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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3W3J
| Crystal structure of human TLR8 in complex with CL097 | 分子名称: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, 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 | Tanji, H, Ohto, U, Shimizu, T. | 登録日 | 2012-12-22 | 公開日 | 2013-04-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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6D3Y
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6H0Z
| Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | 著者 | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | 登録日 | 2018-07-10 | 公開日 | 2020-01-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 To be published
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6WF7
| Methylmalonyl-CoA epimerase in complex with methylmalonyl-CoA and NH4+ | 分子名称: | (S)-Methylmalonyl-Coenzyme A, AMMONIUM ION, METHYLMALONYL-COENZYME A, ... | 著者 | Stunkard, L.M, Benjamin, A.B, Bower, J.B, Huth, T.J, Lohman, J.R. | 登録日 | 2020-04-03 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase. Chembiochem, 23, 2022
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