1KYV
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![BU of 1kyv by Molmil](/molmil-images/mine/1kyv) | Lumazine Synthase from S.pombe bound to riboflavin | 分子名称: | 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, RIBOFLAVIN | 著者 | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-02-06 | 公開日 | 2002-07-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase. J.Mol.Biol., 318, 2002
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7S25
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![BU of 7s25 by Molmil](/molmil-images/mine/7s25) | ROCK1 IN COMPLEX WITH LIGAND G4998 | 分子名称: | 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1 | 著者 | Ganichkin, O, Harris, S.F, Steinbacher, S. | 登録日 | 2021-09-03 | 公開日 | 2022-10-05 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.337 Å) | 主引用文献 | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
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7S26
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![BU of 7s26 by Molmil](/molmil-images/mine/7s26) | ROCK1 IN COMPLEX WITH LIGAND G5018 | 分子名称: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1 | 著者 | Ganichkin, O, Harris, S.F, Steinbacher, S. | 登録日 | 2021-09-03 | 公開日 | 2022-10-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.744 Å) | 主引用文献 | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
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1KZL
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![BU of 1kzl by Molmil](/molmil-images/mine/1kzl) | Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine | 分子名称: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, MERCURY (II) ION, Riboflavin Synthase | 著者 | Gerhardt, S, Schott, A.K, Kairies, N, Cushman, M, Illarionov, B, Eisenreich, W, Bacher, A, Huber, R, Steinbacher, S, Fischer, M. | 登録日 | 2002-02-07 | 公開日 | 2002-11-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine STRUCTURE, 10, 2002
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6TPC
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![BU of 6tpc by Molmil](/molmil-images/mine/6tpc) | Crystal structure of Endoglucanase N194A from Penicillium verruculosum | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, PHOSPHATE ION, ... | 著者 | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | 登録日 | 2019-12-13 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5221895 Å) | 主引用文献 | Crystal structure of Endoglucanase N194A from Penicillium verruculosum To Be Published
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1KZ6
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![BU of 1kz6 by Molmil](/molmil-images/mine/1kz6) | Mutant enzyme W63Y/L119F Lumazine Synthase from S.pombe | 分子名称: | 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | 著者 | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-02-06 | 公開日 | 2002-07-24 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase. J.Mol.Biol., 318, 2002
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1KYY
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![BU of 1kyy by Molmil](/molmil-images/mine/1kyy) | Lumazine Synthase from S.pombe bound to nitropyrimidinedione | 分子名称: | 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION | 著者 | Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M. | 登録日 | 2002-02-06 | 公開日 | 2002-07-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase. J.Mol.Biol., 318, 2002
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5Z90
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![BU of 5z90 by Molmil](/molmil-images/mine/5z90) | |
5Z9K
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![BU of 5z9k by Molmil](/molmil-images/mine/5z9k) | BRD4 Bromodomain 1 with an inhibitor | 分子名称: | 1-ethyl-6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-benzo[cd]indol-2-one, Bromodomain-containing protein 4 | 著者 | Xiao, S, Chen, S, Chen, H. | 登録日 | 2018-02-03 | 公開日 | 2019-02-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | BRD4 Bromodomain 1 with an inhibitor To Be Published
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6O1L
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![BU of 6o1l by Molmil](/molmil-images/mine/6o1l) | Architectural principles for Hfq/Crc-mediated regulation of gene expression Hfq-Crc-amiE 2:3:2 complex | 分子名称: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | 著者 | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | 登録日 | 2019-02-20 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Elife, 8, 2019
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6O1K
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![BU of 6o1k by Molmil](/molmil-images/mine/6o1k) | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Hfq-Crc-amiE 2:2:2 complex (core complex) | 分子名称: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | 著者 | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | 登録日 | 2019-02-20 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.13 Å) | 主引用文献 | Architectural principles for Hfq/Crc-mediated regulation of gene expression Elife, 8, 2019
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6QOY
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![BU of 6qoy by Molmil](/molmil-images/mine/6qoy) | Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF | 分子名称: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, 4-(2-azanylethyl)benzenesulfonic acid, CHLORIDE ION, ... | 著者 | Gabdulkhakov, A, Tishchenko, S, Kudryakova, I, Afoshin, A, Vasilyeva, N. | 登録日 | 2019-02-13 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Serine bacteriolytic protease L1 of Lysobacter sp. XL1 complexed with protease inhibitor AEBSF: features of interaction Process Biochem, 2019
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6O1M
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![BU of 6o1m by Molmil](/molmil-images/mine/6o1m) | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Hfq-Crc-amiE 2:4:2 complex | 分子名称: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | 著者 | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | 登録日 | 2019-02-20 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | 主引用文献 | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Elife, 8, 2019
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6H3S
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![BU of 6h3s by Molmil](/molmil-images/mine/6h3s) | Schmallenberg Virus Glycoprotein Gc Head/Stalk Domains | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Envelopment polyprotein, ... | 著者 | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | 登録日 | 2018-07-19 | 公開日 | 2019-02-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.023 Å) | 主引用文献 | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
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6H3X
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![BU of 6h3x by Molmil](/molmil-images/mine/6h3x) | Oropouche Virus Glycoprotein Gc Head Domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Polyprotein, ... | 著者 | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | 登録日 | 2018-07-19 | 公開日 | 2019-02-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.092 Å) | 主引用文献 | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
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6H3T
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![BU of 6h3t by Molmil](/molmil-images/mine/6h3t) | Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 1C11 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | 登録日 | 2018-07-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.836 Å) | 主引用文献 | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
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6H3V
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![BU of 6h3v by Molmil](/molmil-images/mine/6h3v) | Bunyamwera Virus Glycoprotein Gc Head Domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Envelopment polyprotein | 著者 | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | 登録日 | 2018-07-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
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6H3W
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![BU of 6h3w by Molmil](/molmil-images/mine/6h3w) | La Crosse Virus Glycoprotein Gc Head Domain | 分子名称: | Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | 登録日 | 2018-07-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
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6HDC
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![BU of 6hdc by Molmil](/molmil-images/mine/6hdc) | Crystal structure of the potassium channel MtTMEM175 T38A variant in complex with a Nanobody-MBP fusion protein | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein,Maltose/maltodextrin-binding periplasmic protein, POTASSIUM ION, ... | 著者 | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | 登録日 | 2018-08-17 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structural basis for ion selectivity in TMEM175 K+channels. Elife, 9, 2020
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1N08
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![BU of 1n08 by Molmil](/molmil-images/mine/1n08) | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ZINC ION, putative riboflavin kinase | 著者 | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | 登録日 | 2002-10-11 | 公開日 | 2003-02-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold J.Mol.Biol., 326, 2003
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6H3U
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![BU of 6h3u by Molmil](/molmil-images/mine/6h3u) | Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A. | 登録日 | 2018-07-19 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.168 Å) | 主引用文献 | Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun, 10, 2019
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1N07
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![BU of 1n07 by Molmil](/molmil-images/mine/1n07) | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, PUTATIVE riboflavin kinase | 著者 | Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S. | 登録日 | 2002-10-11 | 公開日 | 2003-02-25 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold J.Mol.Biol., 326, 2003
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6HDB
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![BU of 6hdb by Molmil](/molmil-images/mine/6hdb) | Crystal structure of the potassium channel MtTMEM175 with zinc | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, POTASSIUM ION, ... | 著者 | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | 登録日 | 2018-08-17 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for ion selectivity in TMEM175 K+channels. Elife, 9, 2020
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6HK4
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![BU of 6hk4 by Molmil](/molmil-images/mine/6hk4) | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | 分子名称: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | 著者 | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | 登録日 | 2018-09-05 | 公開日 | 2019-07-17 | 最終更新日 | 2019-08-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations. J Chem Theory Comput, 15, 2019
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6HD9
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![BU of 6hd9 by Molmil](/molmil-images/mine/6hd9) | Crystal structure of the potassium channel MtTMEM175 with rubidium | 分子名称: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, RUBIDIUM ION, ... | 著者 | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | 登録日 | 2018-08-17 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structural basis for ion selectivity in TMEM175 K+channels. Elife, 9, 2020
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