8BOC
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![BU of 8boc by Molmil](/molmil-images/mine/8boc) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19 | 分子名称: | Ephrin type-A receptor 2, ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | 登録日 | 2022-11-15 | 公開日 | 2023-11-29 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor. Chemistry, 29, 2023
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4O1B
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![BU of 4o1b by Molmil](/molmil-images/mine/4o1b) | The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 | 分子名称: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | 登録日 | 2013-12-15 | 公開日 | 2014-10-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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3E7F
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![BU of 3e7f by Molmil](/molmil-images/mine/3e7f) | Crystal structure of 6-phosphogluconolactonase from Trypanosoma brucei complexed with 6-phosphogluconic acid | 分子名称: | 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconolactonase, ZINC ION | 著者 | Poggi, L, Delarue, M, Duclert-Savatier, N, Stoven, V. | 登録日 | 2008-08-18 | 公開日 | 2009-05-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation. J.Mol.Biol., 388, 2009
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4O1D
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![BU of 4o1d by Molmil](/molmil-images/mine/4o1d) | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | 分子名称: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | 著者 | Oh, A, Coons, M, Brillantes, B, Wang, W. | 登録日 | 2013-12-15 | 公開日 | 2014-10-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.705 Å) | 主引用文献 | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors. Plos One, 9, 2014
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4QLX
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![BU of 4qlx by Molmil](/molmil-images/mine/4qlx) | Crystal structure of CLA-ER with product binding | 分子名称: | 10-oxooctadecanoic acid, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | 著者 | Hou, F, Miyakawa, T, Tanokura, M. | 登録日 | 2014-06-13 | 公開日 | 2015-02-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure and reaction mechanism of a novel enone reductase. Febs J., 282, 2015
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4Q4O
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![BU of 4q4o by Molmil](/molmil-images/mine/4q4o) | tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-{[2-(piperidin-1-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | 分子名称: | 6-amino-2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Neeb, M, Heine, A, Klebe, G. | 登録日 | 2014-04-15 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme. J.Med.Chem., 57, 2014
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3B42
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![BU of 3b42 by Molmil](/molmil-images/mine/3b42) | Periplasmic sensor domain of chemotaxis protein GSU0935 | 分子名称: | Methyl-accepting chemotaxis protein, putative, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Pokkuluri, P.R, Schiffer, M. | 登録日 | 2007-10-23 | 公開日 | 2008-04-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures and solution properties of two novel periplasmic sensor domains with c-type heme from chemotaxis proteins of Geobacter sulfurreducens: implications for signal transduction. J.Mol.Biol., 377, 2008
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5ZHZ
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![BU of 5zhz by Molmil](/molmil-images/mine/5zhz) | Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis | 分子名称: | Probable endonuclease 4, SULFATE ION, ZINC ION | 著者 | Zhang, W, Xu, Y, Yan, M, Li, S, Wang, H, Yang, H, Zhou, W, Rao, Z. | 登録日 | 2018-03-13 | 公開日 | 2018-04-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis. Biochem. Biophys. Res. Commun., 498, 2018
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3B2Z
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![BU of 3b2z by Molmil](/molmil-images/mine/3b2z) | Crystal Structure of ADAMTS4 (apo form) | 分子名称: | ADAMTS-4, CALCIUM ION, ZINC ION | 著者 | Mosyak, L, Stahl, M, Somers, W. | 登録日 | 2007-10-19 | 公開日 | 2007-12-25 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5. Protein Sci., 17, 2008
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3B8P
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3B9M
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![BU of 3b9m by Molmil](/molmil-images/mine/3b9m) | Human serum albumin complexed with myristate, 3'-azido-3'-deoxythymidine (AZT) and salicylic acid | 分子名称: | 2-HYDROXYBENZOIC ACID, 3'-azido-3'-deoxythymidine, MYRISTIC ACID, ... | 著者 | Zhu, L, Yang, F, Chen, L, Meehan, E.J, Huang, M. | 登録日 | 2007-11-05 | 公開日 | 2008-05-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | A new drug binding subsite on human serum albumin and drug-drug interaction studied by X-ray crystallography J.Struct.Biol., 162, 2008
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3BAZ
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![BU of 3baz by Molmil](/molmil-images/mine/3baz) | Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ | 分子名称: | Hydroxyphenylpyruvate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Janiak, V, Klebe, G, Petersen, M, Heine, A. | 登録日 | 2007-11-09 | 公開日 | 2008-11-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth Acta Crystallogr.,Sect.D, 66, 2010
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5Z9G
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![BU of 5z9g by Molmil](/molmil-images/mine/5z9g) | Crystal structure of KAI2 | 分子名称: | Probable esterase KAI2 | 著者 | Kim, K.L, Cha, J.S, Soh, M.S, Cho, H.S. | 登録日 | 2018-02-03 | 公開日 | 2018-08-22 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | A missense allele of KARRIKIN-INSENSITIVE2 impairs ligand-binding and downstream signaling in Arabidopsis thaliana. J. Exp. Bot., 69, 2018
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3BA1
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![BU of 3ba1 by Molmil](/molmil-images/mine/3ba1) | Structure of hydroxyphenylpyruvate reductase from coleus blumei | 分子名称: | Hydroxyphenylpyruvate reductase | 著者 | Janiak, V, Klebe, G, Petersen, M, Heine, A. | 登録日 | 2007-11-07 | 公開日 | 2008-11-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth. Acta Crystallogr.,Sect.D, 66, 2010
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4NMG
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![BU of 4nmg by Molmil](/molmil-images/mine/4nmg) | |
6A29
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![BU of 6a29 by Molmil](/molmil-images/mine/6a29) | Crystal structure of PprA A139R mutant | 分子名称: | DNA repair protein PprA | 著者 | Adachi, M, Shibazaki, C, Shimizu, R, Arai, S, Satoh, K, Narumi, I, Kuroki, R. | 登録日 | 2018-06-09 | 公開日 | 2018-12-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.399 Å) | 主引用文献 | Extended structure of pleiotropic DNA repair-promoting protein PprA from Deinococcus radiodurans. FASEB J., 33, 2019
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6A27
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![BU of 6a27 by Molmil](/molmil-images/mine/6a27) | Crystal structure of PprA W183R mutant form 1 | 分子名称: | DNA repair protein PprA, GLYCEROL, SULFATE ION | 著者 | Adachi, M, Shibazaki, C, Shimizu, R, Arai, S, Satoh, K, Narumi, I, Kuroki, R. | 登録日 | 2018-06-09 | 公開日 | 2018-12-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.353 Å) | 主引用文献 | Extended structure of pleiotropic DNA repair-promoting protein PprA from Deinococcus radiodurans. FASEB J., 33, 2019
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4PTE
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![BU of 4pte by Molmil](/molmil-images/mine/4pte) | Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | 分子名称: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.033 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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3E9U
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![BU of 3e9u by Molmil](/molmil-images/mine/3e9u) | Crystal structure of Calx CBD2 domain | 分子名称: | Na/Ca exchange protein | 著者 | Wu, M, Zheng, L. | 登録日 | 2008-08-23 | 公開日 | 2009-01-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of CBD2 from the Drosophila Na(+)/Ca(2+) exchanger: diversity of Ca(2+) regulation and its alternative splicing modification. J.Mol.Biol., 387, 2009
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6AA5
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![BU of 6aa5 by Molmil](/molmil-images/mine/6aa5) | Crystal structure of MTH1 in complex with 3-isomangostin | 分子名称: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ... | 著者 | Yokoyama, T, Kitakami, R, Mizuguchi, M. | 登録日 | 2018-07-17 | 公開日 | 2019-03-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem, 167, 2019
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6AHX
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![BU of 6ahx by Molmil](/molmil-images/mine/6ahx) | Copper-Sensing Operon Regulator Protein (CsoRGz) | 分子名称: | Putative cytosolic protein | 著者 | Normi, M.Y, Mangavelu, A, Sayangku, A.A, Jonet, M.A, Adam, T.C.L, Ali, M.S.M, Rahman, R.N.Z.R.A, Salleh, A.B. | 登録日 | 2018-08-21 | 公開日 | 2019-10-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystallization, Structural Determination and Analysis of Copper-sensing Operon Regulator Protein (CsoRGz) of Geobacillus zalihae Strain T1 To Be Published
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4PTG
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![BU of 4ptg by Molmil](/molmil-images/mine/4ptg) | Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | 分子名称: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.361 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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7VXT
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![BU of 7vxt by Molmil](/molmil-images/mine/7vxt) | Crystal structure of a selenomethionine-labeled BPSL1038 from Burkholderia pseudomallei | 分子名称: | BETA-MERCAPTOETHANOL, BPSL1038, SODIUM ION | 著者 | Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L. | 登録日 | 2021-11-13 | 公開日 | 2023-08-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family. Commun Biol, 6, 2023
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7VXR
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![BU of 7vxr by Molmil](/molmil-images/mine/7vxr) | Crystal structure of BPSL1038 from Burkholderia pseudomallei | 分子名称: | BPSL1038, SODIUM ION | 著者 | Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L. | 登録日 | 2021-11-13 | 公開日 | 2023-08-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family. Commun Biol, 6, 2023
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4Q4P
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![BU of 4q4p by Molmil](/molmil-images/mine/4q4p) | tRNA-Guanine Transglycosylase (TGT) in Complex with 2-{[2-(PIPERIDIN-1-YL)ETHYL]AMINO}-3,5-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | 分子名称: | 2-{[2-(piperidin-1-yl)ethyl]amino}-3,5-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Neeb, M, Heine, A, Klebe, G. | 登録日 | 2014-04-15 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.539 Å) | 主引用文献 | Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme. J.Med.Chem., 57, 2014
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