4CNN
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![BU of 4cnn by Molmil](/molmil-images/mine/4cnn) | High resolution structure of Salmonella typhi type I dehydroquinase | 分子名称: | 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, CITRIC ACID, ... | 著者 | Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2014-01-23 | 公開日 | 2015-02-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase To be Published
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4MMK
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![BU of 4mmk by Molmil](/molmil-images/mine/4mmk) | Q8A Hfq from Pseudomonas aeruginosa | 分子名称: | POTASSIUM ION, Protein hfq, SODIUM ION, ... | 著者 | Murina, V.N, Filimonov, V.V, Melnik, B.S, Uhlein, M, Mueller, U, Weiss, M, Nikulin, A.D. | 登録日 | 2013-09-09 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.156 Å) | 主引用文献 | Effect of conserved intersubunit amino Acid substitutions on hfq protein structure and stability. Biochemistry Mosc., 79, 2014
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4MWJ
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![BU of 4mwj by Molmil](/molmil-images/mine/4mwj) | Anhui N9 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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4MWW
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![BU of 4mww by Molmil](/molmil-images/mine/4mww) | Shanghai N9-oseltamivir carboxylate | 分子名称: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | 登録日 | 2013-09-25 | 公開日 | 2013-11-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
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3TYP
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![BU of 3typ by Molmil](/molmil-images/mine/3typ) | The crystal structure of the inorganic triphosphatase NE1496 | 分子名称: | 1,2-ETHANEDIOL, SODIUM ION, Uncharacterized protein | 著者 | Lunin, V.V, Skarina, T, Onopriyenko, O, Binkowski, T.A, Joachimiak, A, Edwards, A.M, Savchenko, A. | 登録日 | 2011-09-26 | 公開日 | 2012-05-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A specific inorganic triphosphatase from Nitrosomonas europaea: structure and catalytic mechanism. J.Biol.Chem., 286, 2011
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4NYY
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![BU of 4nyy by Molmil](/molmil-images/mine/4nyy) | Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in P 2 21 21 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Deacetylase DA1, ... | 著者 | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | 登録日 | 2013-12-11 | 公開日 | 2014-08-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural basis of chitin oligosaccharide deacetylation. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NTR
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2NMX
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![BU of 2nmx by Molmil](/molmil-images/mine/2nmx) | Structure of inhibitor binding to Carbonic Anhydrase I | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 1, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ... | 著者 | Christianson, D.W, Jude, K.M. | 登録日 | 2006-10-23 | 公開日 | 2007-04-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II J.Am.Chem.Soc., 129, 2007
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7XLD
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![BU of 7xld by Molmil](/molmil-images/mine/7xld) | Crystal structure of IsdH linker-NEAT3 bound to a nanobody (VHH) | 分子名称: | Iron-regulated surface determinant protein H, MAGNESIUM ION, Nanobody VHH6, ... | 著者 | Caaveiro, J.M.M, Valenciano-Bellido, S, Tsumoto, K. | 登録日 | 2022-04-21 | 公開日 | 2023-05-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Targeting hemoglobin receptors IsdH and IsdB of Staphylococcus aureus with a single VHH antibody inhibits bacterial growth. J.Biol.Chem., 299, 2023
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4U0P
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![BU of 4u0p by Molmil](/molmil-images/mine/4u0p) | The Crystal Structure of Lipoyl Synthase in Complex with S-Adenosyl Homocysteine | 分子名称: | IRON/SULFUR CLUSTER, Lipoyl synthase 2, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Harmer, J.E, Hiscox, M.J, Sandy, J, Dinis, P.C, Roach, P.L. | 登録日 | 2014-07-13 | 公開日 | 2014-08-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.623 Å) | 主引用文献 | Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions. Biochem.J., 464, 2014
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7XJB
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![BU of 7xjb by Molmil](/molmil-images/mine/7xjb) | Rat-COMT, opicapone,SAM and Mg bond | 分子名称: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | 著者 | Takebe, K, Iijima, H, Suzuki, M, Kuwada-Kusunose, T. | 登録日 | 2022-04-15 | 公開日 | 2023-05-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses. J.Chem.Inf.Model., 63, 2023
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7XYR
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3LJQ
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7XU8
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![BU of 7xu8 by Molmil](/molmil-images/mine/7xu8) | Structure of the complex of camel peptidoglycan recognition protein-short (PGRP-S) with heptanoic acid at 2.15 A resolution. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CARBONATE ION, ... | 著者 | Maurya, A, Ahmad, N, Viswanathan, V, Singh, P.K, Yamini, S, Sharma, P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | 登録日 | 2022-05-18 | 公開日 | 2022-06-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Ligand recognition by peptidoglycan recognition protein-S (PGRP-S): structure of the complex of camel PGRP-S with heptanoic acid at 2.15 angstrom resolution. Int J Biochem Mol Biol, 13, 2022
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4ZB6
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4U9G
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![BU of 4u9g by Molmil](/molmil-images/mine/4u9g) | Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II)CO ligation state, Q154A/Q155A/K156A mutant | 分子名称: | CARBON MONOXIDE, NO-binding heme-dependent sensor protein, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A. | 登録日 | 2014-08-06 | 公開日 | 2014-10-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins. Proc.Natl.Acad.Sci.USA, 111, 2014
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4U44
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![BU of 4u44 by Molmil](/molmil-images/mine/4u44) | MAP4K4 in complex with inhibitor (compound 16) | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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6DW5
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![BU of 6dw5 by Molmil](/molmil-images/mine/6dw5) | SAMHD1 Bound to Gemcitabine-TP in the Catalytic Pocket | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | 著者 | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | 登録日 | 2018-06-26 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4ZK6
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![BU of 4zk6 by Molmil](/molmil-images/mine/4zk6) | Crystallographic Capture of Quinolinate Synthase (NadA) from Pyrococcus horikoshii in its Substrates and Product-Bound States | 分子名称: | ACETATE ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | 著者 | Esakova, O.A, Grove, T.L, Saunders, A.H, Yennawar, N.H, Booker, S.J. | 登録日 | 2015-04-29 | 公開日 | 2016-06-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.895 Å) | 主引用文献 | Structure of Quinolinate Synthase from Pyrococcus horikoshii in the Presence of Its Product, Quinolinic Acid. J.Am.Chem.Soc., 138, 2016
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4U3Z
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![BU of 4u3z by Molmil](/molmil-images/mine/4u3z) | APO MAP4K4 T181E Phosphomimetic Mutant | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase kinase kinase kinase 4, SODIUM ION | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-07-23 | 公開日 | 2016-01-06 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures to be published
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3V7J
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4Z50
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![BU of 4z50 by Molmil](/molmil-images/mine/4z50) | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap | 分子名称: | CHLORIDE ION, GLYCEROL, Protease, ... | 著者 | Agniswamy, J, Shen, C.-H, Weber, I.T. | 登録日 | 2015-04-02 | 公開日 | 2015-10-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Conformational variation of an extreme drug resistant mutant of HIV protease. J.Mol.Graph.Model., 62, 2015
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4U3E
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![BU of 4u3e by Molmil](/molmil-images/mine/4u3e) | Anaerobic ribonucleotide reductase | 分子名称: | ACETATE ION, CITRIC ACID, GLYCEROL, ... | 著者 | Funk, M.A, Drennan, C.L. | 登録日 | 2014-07-20 | 公開日 | 2014-09-03 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The class III ribonucleotide reductase from Neisseria bacilliformis can utilize thioredoxin as a reductant. Proc.Natl.Acad.Sci.USA, 111, 2014
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3I1J
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![BU of 3i1j by Molmil](/molmil-images/mine/3i1j) | Structure of a putative short chain dehydrogenase from Pseudomonas syringae | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Singer, A.U, Evdokimova, E, Kudritska, M, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2009-06-26 | 公開日 | 2009-07-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of a putative short chain dehydrogenase from Pseudomonas syringae To be Published
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6X10
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![BU of 6x10 by Molmil](/molmil-images/mine/6x10) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with haloperidol | 分子名称: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, GLYCEROL, ... | 著者 | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-05-17 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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