5F31
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![BU of 5f31 by Molmil](/molmil-images/mine/5f31) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group | 分子名称: | ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ... | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5TQX
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![BU of 5tqx by Molmil](/molmil-images/mine/5tqx) | CryoEM reconstruction of human IKK1, intermediate conformation 2 | 分子名称: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 著者 | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | 登録日 | 2016-10-24 | 公開日 | 2016-11-09 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (5.4 Å) | 主引用文献 | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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5F2Z
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![BU of 5f2z by Molmil](/molmil-images/mine/5f2z) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | 分子名称: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F6X
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![BU of 5f6x by Molmil](/molmil-images/mine/5f6x) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) | 分子名称: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | 登録日 | 2015-12-07 | 公開日 | 2016-04-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F02
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![BU of 5f02 by Molmil](/molmil-images/mine/5f02) | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | 分子名称: | (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2016-05-25 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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5F00
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![BU of 5f00 by Molmil](/molmil-images/mine/5f00) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine | 分子名称: | (5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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1BD0
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![BU of 1bd0 by Molmil](/molmil-images/mine/1bd0) | |
5F2T
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![BU of 5f2t by Molmil](/molmil-images/mine/5f2t) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group | 分子名称: | MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | 著者 | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | 登録日 | 2015-12-02 | 公開日 | 2016-03-09 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5TQW
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![BU of 5tqw by Molmil](/molmil-images/mine/5tqw) | CryoEM reconstruction of human IKK1, open conformation 1 | 分子名称: | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 著者 | Lyumkis, D, Ghosh, G, Polley, S, Biswath, T, Huang, D, Passos, D.O. | 登録日 | 2016-10-24 | 公開日 | 2016-11-09 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (5.6 Å) | 主引用文献 | Structural Basis for the Activation of IKK1/ alpha. Cell Rep, 17, 2016
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5F6E
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![BU of 5f6e by Molmil](/molmil-images/mine/5f6e) | Crystal Structure of human Ubc9 (K48A/K49A/E54A) | 分子名称: | 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | 登録日 | 2015-12-05 | 公開日 | 2016-04-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6U
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![BU of 5f6u by Molmil](/molmil-images/mine/5f6u) | Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146) | 分子名称: | SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | 登録日 | 2015-12-07 | 公開日 | 2016-04-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.552 Å) | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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3NL3
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![BU of 3nl3 by Molmil](/molmil-images/mine/3nl3) | The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | 分子名称: | MAGNESIUM ION, THIAMIN PHOSPHATE, Thiamine biosynthetic bifunctional enzyme | 著者 | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | 登録日 | 2010-06-21 | 公開日 | 2010-11-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.007 Å) | 主引用文献 | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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5EXY
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![BU of 5exy by Molmil](/molmil-images/mine/5exy) | Crystal structure of in cellulo recombinant CPV1 Polyhedra | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | 著者 | Boudes, M, Garriga, D, Coulibaly, F. | 登録日 | 2015-11-24 | 公開日 | 2016-05-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | A pipeline for structure determination of in vivo-grown crystals using in cellulo diffraction. Acta Crystallogr D Struct Biol, 72, 2016
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5EYO
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![BU of 5eyo by Molmil](/molmil-images/mine/5eyo) | The crystal structure of the Max bHLH domain in complex with 5-carboxyl cytosine DNA | 分子名称: | DNA (5'-D(*AP*GP*TP*AP*GP*CP*AP*(1CC)P*GP*TP*GP*CP*TP*AP*CP*T)-3'), Protein max | 著者 | Wang, D, Hashimoto, H, Zhang, X, Cheng, X. | 登録日 | 2015-11-25 | 公開日 | 2016-12-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | MAX is an epigenetic sensor of 5-carboxylcytosine and is altered in multiple myeloma. Nucleic Acids Res., 45, 2017
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5F01
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![BU of 5f01 by Molmil](/molmil-images/mine/5f01) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | 分子名称: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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5EZX
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![BU of 5ezx by Molmil](/molmil-images/mine/5ezx) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | 登録日 | 2015-11-27 | 公開日 | 2016-02-24 | 最終更新日 | 2016-05-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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5F5H
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![BU of 5f5h by Molmil](/molmil-images/mine/5f5h) | X-ray structure of Roquin ROQ domain in complex with Ox40 hexa-loop RNA motif | 分子名称: | GLYCEROL, RNA (5'-R(P*CP*CP*AP*CP*AP*CP*CP*GP*UP*UP*CP*UP*AP*GP*GP*UP*GP*CP*UP*GP*G)-3'), Roquin-1 | 著者 | Janowski, R, Schlundt, A, Sattler, M, Niessing, D. | 登録日 | 2015-12-04 | 公開日 | 2016-04-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40. Nat Commun, 7, 2016
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7NK0
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![BU of 7nk0 by Molmil](/molmil-images/mine/7nk0) | Structure of the BIR1 domain of cIAP2 | 分子名称: | Baculoviral IAP repeat-containing protein 3, ZINC ION | 著者 | Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D. | 登録日 | 2021-02-17 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway. Comput Struct Biotechnol J, 19, 2021
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8QCG
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![BU of 8qcg by Molmil](/molmil-images/mine/8qcg) | |
5F6Y
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![BU of 5f6y by Molmil](/molmil-images/mine/5f6y) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole) | 分子名称: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | 登録日 | 2015-12-07 | 公開日 | 2016-04-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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5EZK
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![BU of 5ezk by Molmil](/molmil-images/mine/5ezk) | RNA polymerase model placed by Molecular replacement into X-ray diffraction map of DNA-bound RNA Polymerase-Sigma 54 holoenzyme complex. | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | 著者 | Darbari, V.C, Yang, Y, Lu, D, Zhang, N, Glyde, R, Wang, Y, Murakami, K.S, Buck, M, Zhang, X. | 登録日 | 2015-11-26 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (8.5 Å) | 主引用文献 | TRANSCRIPTION. Structures of the RNA polymerase- Sigma 54 reveal new and conserved regulatory strategies. Science, 349, 2015
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8Q77
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![BU of 8q77 by Molmil](/molmil-images/mine/8q77) | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BISUBSTRATE INHIBITOR ARC-780 | 分子名称: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Werner, C, Lindenblatt, D, Niefind, K. | 登録日 | 2023-08-15 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.255 Å) | 主引用文献 | Discovery and Exploration of Protein Kinase CK2 Binding Sites Using CK2alpha Cys336Ser as an Exquisite Crystallographic Tool Kinases Phosphatases, 2023
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3NL6
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![BU of 3nl6 by Molmil](/molmil-images/mine/3nl6) | The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes | 分子名称: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, THIAMIN PHOSPHATE, ... | 著者 | Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E. | 登録日 | 2010-06-21 | 公開日 | 2010-11-10 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | 主引用文献 | Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes . Biochemistry, 49, 2010
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7KP7
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![BU of 7kp7 by Molmil](/molmil-images/mine/7kp7) | asymmetric mTNF-alpha hTNFR1 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Tumor necrosis factor, ... | 著者 | Arakaki, T.L, Fox III, D, Edwards, T.E, Foley, A, Ceska, T. | 登録日 | 2020-11-10 | 公開日 | 2021-01-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF. Nat Commun, 12, 2021
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5F6H
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![BU of 5f6h by Molmil](/molmil-images/mine/5f6h) | |