7ZKP
| Late assembly intermediate of the proximal proton pumping module of complex I with assembly factors NDUFAF1 and CIA84 | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, ... | 著者 | Schiller, J, Laube, E, Vonck, J, Zickermann, V. | 登録日 | 2022-04-13 | 公開日 | 2022-11-23 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling. Sci Adv, 8, 2022
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7ZKQ
| Early Pp module assembly intermediate of complex I | 分子名称: | CARDIOLIPIN, Complex I intermediate-associated protein 30-domain-containing protein, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | 著者 | Schiller, J, Laube, E, Vonck, J, Zickermann, V. | 登録日 | 2022-04-13 | 公開日 | 2022-11-23 | 最終更新日 | 2022-11-30 | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | 主引用文献 | Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling. Sci Adv, 8, 2022
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4K5A
| Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W | 分子名称: | Bcl-2-like protein 2, Designed Ankyrin Repeat Protein 013_D12 | 著者 | Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. | 登録日 | 2013-04-14 | 公開日 | 2014-04-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
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4K5C
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4K5B
| Co-crystallization with conformation-specific designed ankyrin repeat proteins explains the conformational flexibility of BCL-W | 分子名称: | Apoptosis regulator BCL-W, Bcl-2-like protein 2 | 著者 | Schilling, J, Schoeppe, J, Sauer, E, Plueckthun, A. | 登録日 | 2013-04-14 | 公開日 | 2014-04-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Co-Crystallization with Conformation-Specific Designed Ankyrin Repeat Proteins Explains the Conformational Flexibility of BCL-W J.Mol.Biol., 426, 2014
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6YV4
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 686 | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YUY
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Hillier, J, Ruza, R.R, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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5YIG
| Crystal structure of Streptococcus pneumonia ParE with inhibitor | 分子名称: | 1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea, DNA topoisomerase 4 subunit B | 著者 | Cherian, J, Tan, Y, Hill, J. | 登録日 | 2017-10-04 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria. Eur J Med Chem, 157, 2018
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5A0E
| Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | 分子名称: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | 著者 | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | 登録日 | 2015-04-19 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis. J.Biol.Chem., 291, 2016
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5BOC
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5BOD
| Crystal structure of Streptococcus pneumonia ParE inhibitor | 分子名称: | (2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide, DNA topoisomerase 4 subunit B | 著者 | Tan, Y.W, Chen, G, Hung, A.W, Hill, J. | 登録日 | 2015-05-27 | 公開日 | 2015-06-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Application of Fragment-based Drug Discovery against DNA GyraseB to be published
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6AFK
| Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor | 分子名称: | N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase | 著者 | Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C. | 登録日 | 2018-08-08 | 公開日 | 2019-08-14 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors. Acs Infect Dis., 5, 2019
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6JLR
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6ILZ
| Crystal structure of PKCiota in complex with inhibitor | 分子名称: | 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide, Protein kinase C iota type | 著者 | Baburajendran, N, Hill, J. | 登録日 | 2018-10-21 | 公開日 | 2019-06-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.261 Å) | 主引用文献 | Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues. Acs Med.Chem.Lett., 10, 2019
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8B37
| Crystal structure of Pyrobaculum aerophilum potassium-independent proton pumping membrane integral pyrophosphatase in complex with imidodiphosphate and magnesium, and with bound sulphate | 分子名称: | IMIDODIPHOSPHORIC ACID, K(+)-insensitive pyrophosphate-energized proton pump, MAGNESIUM ION, ... | 著者 | Strauss, J, Wilkinson, C, Vidilaseris, K, Ribeiro, O, Liu, J, Hillier, J, Malinen, A, Gehl, B, Jeuken, L.C, Pearson, A.R, Goldman, A. | 登録日 | 2022-09-16 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.84 Å) | 主引用文献 | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases. Embo Rep., 25, 2024
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3KES
| Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae in the Hexagonal, P61 space group | 分子名称: | 1,2-ETHANEDIOL, Nucleoporin NUP145 | 著者 | Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-10-26 | 公開日 | 2009-12-22 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145. Proteins, 78, 2010
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3KEP
| Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae | 分子名称: | 1,2-ETHANEDIOL, Nucleoporin NUP145 | 著者 | Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-10-26 | 公開日 | 2009-12-22 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145. Proteins, 78, 2010
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1U6V
| NMR structure of a V3 (IIIB isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | 分子名称: | V3 peptide | 著者 | Rosen, O, Chill, J, Sharon, M, Kessler, N, Mester, B, Zolla-Pazner, S, Anglister, J. | 登録日 | 2004-08-02 | 公開日 | 2005-04-05 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Induced fit in HIV-neutralizing antibody complexes: evidence for alternative conformations of the gp120 V3 loop and the molecular basis for broad neutralization. Biochemistry, 44, 2005
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3KFO
| Crystal structure of the C-terminal domain from the nuclear pore complex component NUP133 from Saccharomyces cerevisiae | 分子名称: | GLYCEROL, Nucleoporin NUP133 | 著者 | Sampathkumar, P, Bonanno, J.B, Miller, S, Bain, K, Dickey, M, Gheyi, T, Almo, S.C, Rout, M, Sali, A, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-10-27 | 公開日 | 2010-01-26 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the C-terminal domain of Saccharomyces cerevisiae Nup133, a component of the nuclear pore complex. Proteins, 79, 2011
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1U6U
| NMR structure of a V3 (IIIB isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | 分子名称: | V3 peptide | 著者 | Rosen, O, Chill, J, Sharon, M, Kessler, N, Mester, B, Zolla-Pazner, S, Anglister, J. | 登録日 | 2004-08-02 | 公開日 | 2005-04-05 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Induced fit in HIV-neutralizing antibody complexes: evidence for alternative conformations of the gp120 V3 loop and the molecular basis for broad neutralization. Biochemistry, 44, 2005
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6YUW
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454 | 分子名称: | 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YV2
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598 | 分子名称: | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YV0
| STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 587 | 分子名称: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ruza, R.R, Hillier, J, Jones, E.Y. | 登録日 | 2020-04-27 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YXI
| Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor | 分子名称: | 1,2-ETHANEDIOL, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Vecchia, L, Jones, E.Y, Ruza, R.R, Hillier, J, Zhao, Y. | 登録日 | 2020-05-01 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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4HRN
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