5CCQ
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![BU of 5ccq by Molmil](/molmil-images/mine/5ccq) | Human Cyclophilin D Complexed with Inhibitor | 分子名称: | FORMIC ACID, POTASSIUM ION, Peptidyl-prolyl cis-trans isomerase F, ... | 著者 | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | 登録日 | 2015-07-02 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Human Cyclophilin D Complexed with Inhibitor To Be Published
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6VA8
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5CET
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![BU of 5cet by Molmil](/molmil-images/mine/5cet) | Crystal structure of Rv2837c | 分子名称: | Bifunctional oligoribonuclease and PAP phosphatase NrnA, MANGANESE (II) ION | 著者 | Wang, F, He, Q, Zhu, D, Liu, S, Gu, L. | 登録日 | 2015-07-07 | 公開日 | 2015-12-23 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and Biochemical Insight into the Mechanism of Rv2837c from Mycobacterium tuberculosis as a c-di-NMP Phosphodiesterase J.Biol.Chem., 291, 2016
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5COO
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![BU of 5coo by Molmil](/molmil-images/mine/5coo) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-085 | 分子名称: | (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-1-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, HIV-1 protease | 著者 | Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. | 登録日 | 2015-07-20 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90, 2015
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6M7M
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![BU of 6m7m by Molmil](/molmil-images/mine/6m7m) | rac-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712 | 分子名称: | L-GSTSTA from ice nucleation protein, inaZ, and its enantiomer, ... | 著者 | Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A. | 登録日 | 2018-08-20 | 公開日 | 2019-04-03 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.101 Å) | 主引用文献 | Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ. IUCrJ, 6, 2019
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4MLD
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![BU of 4mld by Molmil](/molmil-images/mine/4mld) | X-ray structure of ComE D58E REC domain from Streptococcus pneumoniae | 分子名称: | Response regulator | 著者 | Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S. | 登録日 | 2013-09-06 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae. Nucleic Acids Res., 42, 2014
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6YEW
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![BU of 6yew by Molmil](/molmil-images/mine/6yew) | Morganella morganii TcdA4 in complex with porcine mucosa heparin | 分子名称: | Insecticidal toxin protein | 著者 | Roderer, D, Broecker, F, Sitsel, O, Kaplonek, P, Leidreiter, F, Seeberger, P.H, Raunser, S. | 登録日 | 2020-03-25 | 公開日 | 2020-07-08 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Glycan-dependent cell adhesion mechanism of Tc toxins. Nat Commun, 11, 2020
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6M9T
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![BU of 6m9t by Molmil](/molmil-images/mine/6m9t) | Crystal structure of EP3 receptor bound to misoprostol-FA | 分子名称: | (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, ... | 著者 | Audet, M, White, K.L, Breton, B, Zarzycka, B, Han, G.W, Lu, Y, Gati, C, Batyuk, A, Popov, P, Velasquez, J, Manahan, D, Hu, H, Weierstall, U, Liu, W, Shui, W, Katrich, V, Cherezov, V, Hanson, M.A, Stevens, R.C. | 登録日 | 2018-08-24 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of misoprostol bound to the labor inducer prostaglandin E2receptor. Nat. Chem. Biol., 15, 2019
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5CN4
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![BU of 5cn4 by Molmil](/molmil-images/mine/5cn4) | Ultrafast dynamics in myoglobin: -0.1 ps time delay | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | 登録日 | 2015-07-17 | 公開日 | 2015-09-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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6UQ1
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![BU of 6uq1 by Molmil](/molmil-images/mine/6uq1) | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 6 | 分子名称: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | 著者 | Oh, J, Wang, D. | 登録日 | 2019-10-18 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UT2
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![BU of 6ut2 by Molmil](/molmil-images/mine/6ut2) | 3D structure of the leiomodin/tropomyosin binding interface | 分子名称: | Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide | 著者 | Tolkatchev, D, Smith, G.E, Helms, G.L, Cort, J.R, Kostyukova, A.S. | 登録日 | 2019-10-29 | 公開日 | 2020-09-30 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Leiomodin creates a leaky cap at the pointed end of actin-thin filaments. Plos Biol., 18, 2020
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2VTV
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![BU of 2vtv by Molmil](/molmil-images/mine/2vtv) | PhaZ7 depolymerase from Paucimonas lemoignei | 分子名称: | GLYCEROL, PHB depolymerase PhaZ7 | 著者 | Papageorgiou, A.C, Hermawan, S, Singh, C.B, Jendrossek, D. | 登録日 | 2008-05-16 | 公開日 | 2008-08-26 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis of poly(3-hydroxybutyrate) hydrolysis by PhaZ7 depolymerase from Paucimonas lemoignei. J. Mol. Biol., 382, 2008
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1NME
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![BU of 1nme by Molmil](/molmil-images/mine/1nme) | Structure of Casp-3 with tethered salicylate | 分子名称: | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | 著者 | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | 登録日 | 2003-01-09 | 公開日 | 2003-03-11 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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6UZ3
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![BU of 6uz3 by Molmil](/molmil-images/mine/6uz3) | Cardiac sodium channel | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Jiang, D, Shi, H, Tonggu, L, Lenaeus, M.J, Zheng, N, Catterall, W.A. | 登録日 | 2019-11-14 | 公開日 | 2020-01-01 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of the Cardiac Sodium Channel. Cell, 180, 2020
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4FF5
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1NMS
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![BU of 1nms by Molmil](/molmil-images/mine/1nms) | Caspase-3 tethered to irreversible inhibitor | 分子名称: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | 著者 | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | 登録日 | 2003-01-10 | 公開日 | 2003-03-11 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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6MFO
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6YL8
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![BU of 6yl8 by Molmil](/molmil-images/mine/6yl8) | Crystal structure of YTHDC1 with compound DHU_DC1_011 | 分子名称: | (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-06 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6MF9
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![BU of 6mf9 by Molmil](/molmil-images/mine/6mf9) | Crystal structure of CGD4-650 with compound BI2536 | 分子名称: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ZnKn (C2HC)+Athook+bromo domain protein, Taf250, ... | 著者 | Dong, A, Lin, Y.L, Hou, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2018-09-10 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.037 Å) | 主引用文献 | Crystal structure of CGD4-650 with compound BI2536 to be published
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6YLV
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![BU of 6ylv by Molmil](/molmil-images/mine/6ylv) | Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog | 分子名称: | 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL | 著者 | Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J. | 登録日 | 2020-04-07 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.66005659 Å) | 主引用文献 | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation. Pharmaceutics, 13, 2021
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6M3W
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6YNO
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![BU of 6yno by Molmil](/molmil-images/mine/6yno) | Crystal structure of YTHDC1 with compound DHU_DC1_139 | 分子名称: | 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-14 | 公開日 | 2020-07-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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5CNC
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![BU of 5cnc by Molmil](/molmil-images/mine/5cnc) | Ultrafast dynamics in myoglobin: 0.6 ps time delay | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | 登録日 | 2015-07-17 | 公開日 | 2015-09-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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6YQU
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![BU of 6yqu by Molmil](/molmil-images/mine/6yqu) | CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE | 分子名称: | 3~{H}-1,3-benzoxazole-2-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2020-04-18 | 公開日 | 2020-07-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.478 Å) | 主引用文献 | 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
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6V8C
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![BU of 6v8c by Molmil](/molmil-images/mine/6v8c) | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | 分子名称: | 3-aminocyclohexa-1,3-diene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | 著者 | Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B. | 登録日 | 2019-12-10 | 公開日 | 2020-12-16 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators To Be Published
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