6M6Y
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![BU of 6m6y by Molmil](/molmil-images/mine/6m6y) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP | 分子名称: | 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ... | 著者 | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | 登録日 | 2020-03-16 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
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6M72
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![BU of 6m72 by Molmil](/molmil-images/mine/6m72) | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP | 分子名称: | 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein, ... | 著者 | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | 登録日 | 2020-03-16 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1. Acta Crystallogr D Struct Biol, 76, 2020
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5AAZ
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![BU of 5aaz by Molmil](/molmil-images/mine/5aaz) | TBK1 recruitment to cytosol-invading Salmonella induces anti- bacterial autophagy | 分子名称: | OPTINEURIN, ZINC ION | 著者 | Thurston, T.l, Allen, M.D, Ravenhill, B, Karpiyevitch, M, Bloor, S, Kaul, A, Matthews, S, Komander, D, Holden, D, Bycroft, M, Randow, F. | 登録日 | 2015-07-31 | 公開日 | 2016-07-13 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Recruitment of Tbk1 to Cytosol-Invading Salmonella Induces Wipi2-Dependent Antibacterial Autophagy. Embo J., 35, 2016
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7PQ1
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![BU of 7pq1 by Molmil](/molmil-images/mine/7pq1) | Ligand-free crystal structure of a staphylococcal orthologue of CYP134A1 | 分子名称: | Cytochrome P450 protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W. | 登録日 | 2021-09-15 | 公開日 | 2022-09-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine To Be Published
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6F22
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![BU of 6f22 by Molmil](/molmil-images/mine/6f22) | Complex between MTH1 and compound 29 (a 4-amino-2,7-diazaindole derivative) | 分子名称: | (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | 登録日 | 2017-11-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J. Med. Chem., 61, 2018
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6S03
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![BU of 6s03 by Molmil](/molmil-images/mine/6s03) | Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 | 分子名称: | 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Kugler, M, Brynda, J, Rezacova, P. | 登録日 | 2019-06-13 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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1IMT
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![BU of 1imt by Molmil](/molmil-images/mine/1imt) | MAMBA INTESTINAL TOXIN 1, NMR, 39 STRUCTURES | 分子名称: | INTESTINAL TOXIN 1 | 著者 | Boisbouvier, J, Albrand, J.-P, Blackledge, M, Jaquinod, M, Schweitz, H, Lazdunski, M, Marion, D. | 登録日 | 1998-04-14 | 公開日 | 1999-04-20 | 最終更新日 | 2022-02-23 | 実験手法 | SOLUTION NMR | 主引用文献 | A structural homologue of colipase in black mamba venom revealed by NMR floating disulphide bridge analysis. J.Mol.Biol., 283, 1998
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5AX0
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![BU of 5ax0 by Molmil](/molmil-images/mine/5ax0) | Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.52 angstrom | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | 著者 | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | 登録日 | 2015-07-10 | 公開日 | 2015-08-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.521 Å) | 主引用文献 | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum Acta Crystallogr.,Sect.D, 71, 2015
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8ETN
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5I50
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![BU of 5i50 by Molmil](/molmil-images/mine/5i50) | Structure of OmoMYC bound to double-stranded DNA | 分子名称: | DNA (5'-D(P*CP*AP*CP*CP*CP*GP*GP*TP*CP*AP*CP*GP*TP*GP*GP*CP*CP*TP*AP*CP*AP*C)-3'), DNA (5'-D(P*GP*TP*GP*TP*AP*GP*GP*CP*CP*AP*CP*GP*TP*GP*AP*CP*CP*GP*GP*GP*TP*G)-3'), Myc proto-oncogene protein | 著者 | Koelmel, W, Jung, L.A, Kuper, J, Eilers, M, Kisker, C. | 登録日 | 2016-02-13 | 公開日 | 2016-10-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors. Oncogene, 36, 2017
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1WHE
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![BU of 1whe by Molmil](/molmil-images/mine/1whe) | COAGULATION FACTOR, NMR, 20 STRUCTURES | 分子名称: | COAGULATION FACTOR X | 著者 | Sunnerhagen, M, Olah, G.A, Stenflo, J, Forsen, S, Drakenberg, T, Trewhella, J. | 登録日 | 1996-06-18 | 公開日 | 1997-05-15 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | The relative orientation of Gla and EGF domains in coagulation factor X is altered by Ca2+ binding to the first EGF domain. A combined NMR-small angle X-ray scattering study. Biochemistry, 35, 1996
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6AZB
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6F5W
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![BU of 6f5w by Molmil](/molmil-images/mine/6f5w) | Photorhabdus asymbiotica lectin (PHL) in complex with propargyl-fucoside | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, SODIUM ION, ... | 著者 | Houser, J, Jancarikova, G, Wimmerova, M, Csavas, M, Borbas, A, Herczeg, M, Fujdiarova, E, Kover, E.K. | 登録日 | 2017-12-04 | 公開日 | 2018-01-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Synthesis of alpha-l-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL). Chemistry, 24, 2018
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3NX7
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![BU of 3nx7 by Molmil](/molmil-images/mine/3nx7) | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-Hydroxy-2-(N-(2-hydroxyethyl)4-methoxyphenylsulfonamido)acetamide | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, ... | 著者 | Bertini, I, Calderone, V, Fragai, M, Giachetti, A, Loconte, M, Luchinat, C, Maletta, M, Nativi, C, Yeo, K.J. | 登録日 | 2010-07-13 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases J.Am.Chem.Soc., 129, 2007
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1WJ2
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![BU of 1wj2 by Molmil](/molmil-images/mine/1wj2) | Solution Structure of the C-terminal WRKY Domain of AtWRKY4 | 分子名称: | Probable WRKY transcription factor 4, ZINC ION | 著者 | Yamasaki, K, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2004-05-28 | 公開日 | 2004-11-28 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of an Arabidopsis WRKY DNA binding domain. Plant Cell, 17, 2005
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6BDJ
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6RPV
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![BU of 6rpv by Molmil](/molmil-images/mine/6rpv) | Extremely stable monomeric variant of human cystatin C with single amino acid substitution | 分子名称: | Cystatin-C | 著者 | Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M. | 登録日 | 2019-05-14 | 公開日 | 2019-07-31 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR, SOLUTION SCATTERING | 主引用文献 | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution. Febs J., 287, 2020
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6EUT
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![BU of 6eut by Molmil](/molmil-images/mine/6eut) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67) | 分子名称: | (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6EUZ
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![BU of 6euz by Molmil](/molmil-images/mine/6euz) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | 分子名称: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | 著者 | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-10-31 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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6FER
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![BU of 6fer by Molmil](/molmil-images/mine/6fer) | Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide | 分子名称: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2 | 著者 | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | 登録日 | 2018-01-03 | 公開日 | 2018-11-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome. Acs Chem.Biol., 14, 2019
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5AWZ
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![BU of 5awz by Molmil](/molmil-images/mine/5awz) | Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.57 angstrom | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | 著者 | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | 登録日 | 2015-07-10 | 公開日 | 2015-08-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum Acta Crystallogr.,Sect.D, 71, 2015
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3O1G
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6OZ4
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6EXM
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![BU of 6exm by Molmil](/molmil-images/mine/6exm) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | 著者 | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2017-11-08 | 公開日 | 2018-05-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
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7PEW
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![BU of 7pew by Molmil](/molmil-images/mine/7pew) | |