4QSS
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![BU of 4qss by Molmil](/molmil-images/mine/4qss) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-methylpyrrolidin-2-one, ATPase family AAA domain-containing protein 2, ... | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2014-07-06 | 公開日 | 2014-07-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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7QZH
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![BU of 7qzh by Molmil](/molmil-images/mine/7qzh) | SFX structure of dye-type peroxidase DtpB D152A variant in the ferric state | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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4RFA
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![BU of 4rfa by Molmil](/molmil-images/mine/4rfa) | Crystal structure of cyclic nucleotide-binding domain containing protein from Listeria monocytogenes EGD-e | 分子名称: | Lmo0740 protein | 著者 | Filippova, E.V, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2014-09-25 | 公開日 | 2014-10-15 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystal structure of cyclic nucleotide-binding domain containing protein from Listeria monocytogenes EGD-e To be Published
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7OR6
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![BU of 7or6 by Molmil](/molmil-images/mine/7or6) | |
7QZE
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![BU of 7qze by Molmil](/molmil-images/mine/7qze) | SFX structure of dye-type peroxidase DtpB D152A variant in the ferryl state | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, OXYGEN ATOM, ... | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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5K3Y
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![BU of 5k3y by Molmil](/molmil-images/mine/5k3y) | Crystal structure of AuroraB/INCENP in complex with BI 811283 | 分子名称: | Aurora kinase B-A, Inner centromere protein A, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide | 著者 | Bader, G, Zahn, S.K, Zoephel, A. | 登録日 | 2016-05-20 | 公開日 | 2016-08-17 | 最終更新日 | 2022-12-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
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7ORD
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5K7A
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![BU of 5k7a by Molmil](/molmil-images/mine/5k7a) | Crystal structure of laccase fron Thermus thermophilus HB27 (sodium nitrate 1.5 min) | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | 著者 | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E. | 登録日 | 2016-05-25 | 公開日 | 2017-06-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Preserving metalic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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7QZF
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![BU of 7qzf by Molmil](/molmil-images/mine/7qzf) | SFX structure of dye-type peroxidase DtpB D152A/N245A variant in the ferric state | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Owen, R.L, Axford, D, Tosha, T, Sugimoto, H, Owada, S. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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4RD2
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![BU of 4rd2 by Molmil](/molmil-images/mine/4rd2) | Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDPNP | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E. | 登録日 | 2014-09-18 | 公開日 | 2015-05-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.585 Å) | 主引用文献 | Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2. Nucleic Acids Res., 43, 2015
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3BHT
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![BU of 3bht by Molmil](/molmil-images/mine/3bht) | Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3 | 分子名称: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ... | 著者 | Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L. | 登録日 | 2007-11-29 | 公開日 | 2008-02-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases Cancer Res., 67, 2007
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4QYR
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![BU of 4qyr by Molmil](/molmil-images/mine/4qyr) | Streptomyces platensis isomigrastatin ketosynthase domain MgsE KS3 | 分子名称: | ACETIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... | 著者 | Kim, Y, Li, H, Endres, M, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | 登録日 | 2014-07-25 | 公開日 | 2014-08-20 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | 主引用文献 | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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7QZG
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![BU of 7qzg by Molmil](/molmil-images/mine/7qzg) | SFX structure of dye-type peroxidase DtpB N245A variant in the ferric state | 分子名称: | Dyp-type peroxidase family, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | 登録日 | 2022-01-31 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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4RE2
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![BU of 4re2 by Molmil](/molmil-images/mine/4re2) | Different transition state conformations for the hydrolysis of beta-mannosides and beta-glucosides in the rice Os7BGlu26 family GH1 beta-mannosidase/beta-glucosidase | 分子名称: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Tankrathok, A, Iglesias-Fernandez, J, Williams, R.J, Hakki, Z, Robinson, R.C, Hrmova, M, Rovira, C, Williams, S.J, Ketudat Cairns, J.R. | 登録日 | 2014-09-21 | 公開日 | 2015-09-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Single Glycosidase Harnesses Different Pyranoside Ring Transition State Conformations for Hydrolysis of Mannosides and Glucosides ACS CATALYSIS, 5, 2015
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3JVT
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![BU of 3jvt by Molmil](/molmil-images/mine/3jvt) | Calcium-bound Scallop Myosin Regulatory Domain (Lever Arm) with Reconstituted Complete Light Chains | 分子名称: | CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ... | 著者 | Himmel, D.M, Mui, S, O'Neall-Hennessey, E, Szent-Gyorgyi, A, Cohen, C. | 登録日 | 2009-09-17 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The on-off switch in regulated myosins: different triggers but related mechanisms. J.Mol.Biol., 394, 2009
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3STN
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![BU of 3stn by Molmil](/molmil-images/mine/3stn) | |
5K7Y
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![BU of 5k7y by Molmil](/molmil-images/mine/5k7y) | Crystal structure of enzyme in purine metabolism | 分子名称: | Cytosolic purine 5'-nucleotidase, GLYCEROL | 著者 | Skerlova, J, Hnizda, A, Pachl, P, Rezacova, P. | 登録日 | 2016-05-27 | 公開日 | 2016-09-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Oligomeric interface modulation causes misregulation of purine 5 -nucleotidase in relapsed leukemia. Bmc Biol., 14, 2016
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7OMB
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![BU of 7omb by Molmil](/molmil-images/mine/7omb) | Crystal structure of KOD DNA Polymerase in a ternary complex with a p/t duplex containing an extended 5' single stranded template overhang | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA polymerase, ... | 著者 | Betz, K, Kropp, H.M, Diederichs, K, Marx, A. | 登録日 | 2021-05-21 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural Basis for The Recognition of Deaminated Nucleobases by An Archaeal DNA Polymerase. Chembiochem, 22, 2021
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7OMG
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![BU of 7omg by Molmil](/molmil-images/mine/7omg) | Crystal structure of KOD DNA Polymerase in a ternary complex with an Uracil containing template | 分子名称: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, ... | 著者 | Betz, K, Kropp, H.M, Diederichs, K, Marx, A. | 登録日 | 2021-05-22 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Basis for The Recognition of Deaminated Nucleobases by An Archaeal DNA Polymerase. Chembiochem, 22, 2021
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4QQ6
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![BU of 4qq6 by Molmil](/molmil-images/mine/4qq6) | Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule | 分子名称: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | 著者 | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2014-06-26 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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5KBK
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![BU of 5kbk by Molmil](/molmil-images/mine/5kbk) | Candida Albicans Superoxide Dismutase 5 (SOD5), E110A Mutant | 分子名称: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | 著者 | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | 登録日 | 2016-06-03 | 公開日 | 2016-08-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.411 Å) | 主引用文献 | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases. J.Biol.Chem., 291, 2016
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4QQD
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![BU of 4qqd by Molmil](/molmil-images/mine/4qqd) | Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | 分子名称: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | 著者 | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2014-06-27 | 公開日 | 2014-08-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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7P53
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2IPR
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![BU of 2ipr by Molmil](/molmil-images/mine/2ipr) | |
7OM3
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![BU of 7om3 by Molmil](/molmil-images/mine/7om3) | Crystal structure of KOD DNA Polymerase in a binary complex with Hypoxanthine containing template | 分子名称: | 1,2-ETHANEDIOL, 21nt Template, BROMIDE ION, ... | 著者 | Betz, K, Kropp, H.M, Diederichs, K, Marx, A. | 登録日 | 2021-05-21 | 公開日 | 2021-10-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural Basis for The Recognition of Deaminated Nucleobases by An Archaeal DNA Polymerase. Chembiochem, 22, 2021
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