3TD3
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![BU of 3td3 by Molmil](/molmil-images/mine/3td3) | Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with glycine | 分子名称: | GLYCINE, Outer membrane protein omp38 | 著者 | Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y. | 登録日 | 2011-08-10 | 公開日 | 2011-10-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane Faseb J., 26, 2012
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4KQO
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![BU of 4kqo by Molmil](/molmil-images/mine/4kqo) | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin | 分子名称: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | 著者 | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | 登録日 | 2013-05-15 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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3GPS
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![BU of 3gps by Molmil](/molmil-images/mine/3gps) | Crystal structure of the F87M/L110M mutant of human transthyretin at pH 5.5 | 分子名称: | ACETATE ION, GLYCEROL, Transthyretin, ... | 著者 | Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R. | 登録日 | 2009-03-23 | 公開日 | 2010-04-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition. J.Biol.Chem., 285, 2010
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3UDJ
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![BU of 3udj by Molmil](/molmil-images/mine/3udj) | Crystal Structure of BACE with Compound 5 | 分子名称: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | 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 | 2013-06-19 | 実験手法 | X-RAY DIFFRACTION (1.8 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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3UDR
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![BU of 3udr by Molmil](/molmil-images/mine/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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4HT8
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3UDM
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![BU of 3udm by Molmil](/molmil-images/mine/3udm) | Crystal Structure of BACE with Compound 8 | 分子名称: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | 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 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.94 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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3UDH
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![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | 分子名称: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, 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 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 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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3UDQ
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![BU of 3udq by Molmil](/molmil-images/mine/3udq) | Crystal Structure of BACE with Compound 13 | 分子名称: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (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 (2.73 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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4KQR
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![BU of 4kqr by Molmil](/molmil-images/mine/4kqr) | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid | 分子名称: | (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | 著者 | Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J. | 登録日 | 2013-05-15 | 公開日 | 2013-11-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3. Acs Chem.Biol., 8, 2013
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3UQ3
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![BU of 3uq3 by Molmil](/molmil-images/mine/3uq3) | TPR2AB-domain:pHSP90-complex of yeast Sti1 | 分子名称: | Heat shock protein, Heat shock protein STI1 | 著者 | Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J. | 登録日 | 2011-11-19 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop. Embo J., 31, 2012
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3UDN
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![BU of 3udn by Molmil](/molmil-images/mine/3udn) | Crystal Structure of BACE with Compound 9 | 分子名称: | 1,2-ETHANEDIOL, 4-cyanobenzyl (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 (2.193 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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3UDK
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![BU of 3udk by Molmil](/molmil-images/mine/3udk) | Crystal Structure of BACE with Compound 6 | 分子名称: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | 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 (2.51 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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3UDY
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![BU of 3udy by Molmil](/molmil-images/mine/3udy) | Crystal Structure of BACE with Compound 11 | 分子名称: | 1,2-ETHANEDIOL, 3-bromo-4-cyanobenzyl (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 (2 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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3UDP
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![BU of 3udp by Molmil](/molmil-images/mine/3udp) | Crystal Structure of BACE with Compound 12 | 分子名称: | (4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, 1,2-ETHANEDIOL, 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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3UPV
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![BU of 3upv by Molmil](/molmil-images/mine/3upv) | TPR2B-domain:pHsp70-complex of yeast Sti1 | 分子名称: | Heat shock protein SSA4, Heat shock protein STI1 | 著者 | Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H. | 登録日 | 2011-11-18 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop. Embo J., 31, 2012
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3M9G
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![BU of 3m9g by Molmil](/molmil-images/mine/3m9g) | Crystal structure of the three-PASTA-domain of a Ser/Thr kinase from Staphylococcus aureus | 分子名称: | Protein kinase, ZINC ION | 著者 | Paracuellos, P, Ballandras, A, Robert, X, Creze, C, Cozzone, A.J, Duclos, B, Gouet, P. | 登録日 | 2010-03-22 | 公開日 | 2010-11-03 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The Extended Conformation of the 2.9-A Crystal Structure of the Three-PASTA Domain of a Ser/Thr Kinase from the Human Pathogen Staphylococcus aureus J.Mol.Biol., 404, 2010
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3NUY
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3NUU
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3NUS
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4A5W
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![BU of 4a5w by Molmil](/molmil-images/mine/4a5w) | Crystal structure of C5b6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C5, ... | 著者 | Hadders, M.A, Bubeck, D, Forneris, F, Pangburn, M, Llorca, O, Lea, S.M, Gros, P. | 登録日 | 2011-10-28 | 公開日 | 2012-03-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Assembly and Regulation of the Membrane Attack Complex Based on Structures of C5B6 and Sc5B9. Cell Rep., 1, 2012
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4A5T
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![BU of 4a5t by Molmil](/molmil-images/mine/4a5t) | STRUCTURAL BASIS FOR THE CONFORMATIONAL MODULATION | 分子名称: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, PLASMINOGEN | 著者 | Xue, Y, Bodin, C, Olsson, K. | 登録日 | 2011-10-28 | 公開日 | 2012-05-23 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | 主引用文献 | Crystal Structure of the Native Plasminogen Reveals an Activation-Resistant Compact Conformation. J. Thromb. Haemost., 10, 2012
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4AQ3
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![BU of 4aq3 by Molmil](/molmil-images/mine/4aq3) | HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR | 分子名称: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide | 著者 | Bertrand, J.A, Fasolini, M, Modugno, M. | 登録日 | 2012-04-12 | 公開日 | 2012-06-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists. Bioorg.Med.Chem.Lett., 22, 2012
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3PD4
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3PD3
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