6YON
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![BU of 6yon by Molmil](/molmil-images/mine/6yon) | Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, SULFATE ION | 著者 | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | 登録日 | 2020-04-14 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum To Be Published
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5AH1
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![BU of 5ah1 by Molmil](/molmil-images/mine/5ah1) | Structure of EstA from Clostridium botulinum | 分子名称: | POTASSIUM ION, TRIACYLGLYCEROL LIPASE, ZINC ION | 著者 | Pairitsch, A, Lyskowski, A, Hromic, A, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Sinkel, C, Kueper, U, Ribitsch, D, Guebitz, G.M. | 登録日 | 2015-02-04 | 公開日 | 2015-11-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Hydrolysis of Synthetic Polyesters by Clostridium Botulinum Esterases. Biotechnol.Bioeng., 113, 2016
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8D9G
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![BU of 8d9g by Molmil](/molmil-images/mine/8d9g) | gRAMP-TPR-CHAT Non match PFS target RNA(Craspase) | 分子名称: | CHAT domain protein, RAMP superfamily protein, RNA (36-MER), ... | 著者 | Hu, C, Nam, K.H, Schuler, G, Ke, A. | 登録日 | 2022-06-09 | 公開日 | 2023-06-14 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | 主引用文献 | Craspase is a CRISPR RNA-guided, RNA-activated protease. Science, 377, 2022
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3JB4
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![BU of 3jb4 by Molmil](/molmil-images/mine/3jb4) | Structure of Ljungan virus: insight into picornavirus packaging | 分子名称: | VP0, VP1, VP3 | 著者 | Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I. | 登録日 | 2015-07-21 | 公開日 | 2015-10-21 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structure of Ljungan virus provides insight into genome packaging of this picornavirus. Nat Commun, 6, 2015
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6W1Q
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![BU of 6w1q by Molmil](/molmil-images/mine/6w1q) | RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2020-03-04 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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5JCY
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![BU of 5jcy by Molmil](/molmil-images/mine/5jcy) | Spir2-GTBM bound to MyoVa-GTD | 分子名称: | Protein spire homolog 2, Unconventional myosin-Va | 著者 | Pylypenko, O, Malherbes, G, Welz, T, Kerkhoff, E, Houdusse, A. | 登録日 | 2016-04-15 | 公開日 | 2016-09-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes. Elife, 5, 2016
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8AMO
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![BU of 8amo by Molmil](/molmil-images/mine/8amo) | Crystal structure of M. tuberculosis CYP143 | 分子名称: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Bukhdruker, S, Varaksa, T, Grudo, A, Marin, E, Kapranov, I, Shevtsov, M, Gilep, A, Strushkevich, N, Borshchevskiy, V. | 登録日 | 2022-08-03 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450. Front Mol Biosci, 9, 2022
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8AMP
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![BU of 8amp by Molmil](/molmil-images/mine/8amp) | Crystal structure of M.tuberculosis ferredoxin Fdx | 分子名称: | FE (III) ION, FE3-S4 CLUSTER, Possible ferredoxin | 著者 | Bukhdruker, S, Kavaleuski, A, Marin, E, Kapranov, I, Mishin, A, Gilep, A, Strushkevich, N, Borshchevskiy, V. | 登録日 | 2022-08-03 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450. Front Mol Biosci, 9, 2022
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6WAD
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![BU of 6wad by Molmil](/molmil-images/mine/6wad) | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor | 分子名称: | 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Halabelian, L, Zeng, H, Dong, A, Schapira, M, De Freitas, R.F, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2020-03-25 | 公開日 | 2020-09-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with MT2739 inhibitor to be published
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6W1T
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![BU of 6w1t by Molmil](/molmil-images/mine/6w1t) | RT XFEL structure of Photosystem II 250 microseconds after the second illumination at 2.01 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2020-03-04 | 公開日 | 2020-05-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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5YRX
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![BU of 5yrx by Molmil](/molmil-images/mine/5yrx) | Crystal structure of a hypothetical protein Rv3716c from Mycobacterium tuberculosis | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, Nucleoid-associated protein Rv3716c | 著者 | Deka, G, Gopalan, A, Prabhavathi, M, Savithri, H.S, Raja, A, Murthy, M.R.N. | 登録日 | 2017-11-10 | 公開日 | 2018-05-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural and biophysical characterization of Rv3716c, a hypothetical protein from Mycobacterium tuberculosis Biochem. Biophys. Res. Commun., 495, 2018
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5XYL
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![BU of 5xyl by Molmil](/molmil-images/mine/5xyl) | |
6JBP
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![BU of 6jbp by Molmil](/molmil-images/mine/6jbp) | Structure of MP-4 from Mucuna pruriens at 2.22 Angstroms | 分子名称: | Kunitz-type trypsin inhibitor-like 2 protein | 著者 | Jain, A, Shikhi, M, Kumar, A, Kumar, A, Nair, D.T, Salunke, D.M. | 登録日 | 2019-01-26 | 公開日 | 2020-01-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | 主引用文献 | The structure of MP-4 from Mucuna pruriens at 2.22 angstrom resolution. Acta Crystallogr.,Sect.F, 76, 2020
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7NSG
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![BU of 7nsg by Molmil](/molmil-images/mine/7nsg) | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B | 分子名称: | (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | 著者 | Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC) | 登録日 | 2021-03-05 | 公開日 | 2022-03-16 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | 主引用文献 | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B TO BE PUBLISHED
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5Z47
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![BU of 5z47 by Molmil](/molmil-images/mine/5z47) | Crystal structure of pyrrolidone carboxylate peptidase I with disordered loop A from Deinococcus radiodurans R1 | 分子名称: | DIMETHYL SULFOXIDE, Pyrrolidone-carboxylate peptidase | 著者 | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | 登録日 | 2018-01-10 | 公開日 | 2019-01-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structures of pyrrolidone-carboxylate peptidase I from Deinococcus radiodurans reveal the mechanism of L-pyroglutamate recognition. Acta Crystallogr D Struct Biol, 75, 2019
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8COY
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![BU of 8coy by Molmil](/molmil-images/mine/8coy) | Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | 著者 | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | 登録日 | 2023-03-01 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.507 Å) | 主引用文献 | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor. Acta Crystallogr D Struct Biol, 79, 2023
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8CP0
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![BU of 8cp0 by Molmil](/molmil-images/mine/8cp0) | Structure of the catalytic domain of P. vivax Sub1 (trigonal crystal form) | 分子名称: | CALCIUM ION, subtilisin | 著者 | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | 登録日 | 2023-03-01 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.251 Å) | 主引用文献 | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor. Acta Crystallogr D Struct Biol, 79, 2023
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8COZ
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![BU of 8coz by Molmil](/molmil-images/mine/8coz) | Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | 著者 | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | 登録日 | 2023-03-01 | 公開日 | 2023-07-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.438 Å) | 主引用文献 | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor. Acta Crystallogr D Struct Biol, 79, 2023
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6W1U
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![BU of 6w1u by Molmil](/molmil-images/mine/6w1u) | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | 登録日 | 2020-03-04 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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5X4W
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![BU of 5x4w by Molmil](/molmil-images/mine/5x4w) | Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition | 分子名称: | PHOSPHATE ION, Thymidylate synthase | 著者 | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | 登録日 | 2017-02-14 | 公開日 | 2017-06-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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1A9C
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![BU of 1a9c by Molmil](/molmil-images/mine/1a9c) | GTP CYCLOHYDROLASE I (C110S MUTANT) IN COMPLEX WITH GTP | 分子名称: | GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE | 著者 | Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R. | 登録日 | 1998-04-04 | 公開日 | 1999-05-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | GTP Cyclohydrolase I in Complex with GTP at 2.1 A Resolution To be Published
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7SVL
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![BU of 7svl by Molmil](/molmil-images/mine/7svl) | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | 分子名称: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | 著者 | Lammens, A, Hollenstein, K, Klein, D.J. | 登録日 | 2021-11-19 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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6YWN
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![BU of 6ywn by Molmil](/molmil-images/mine/6ywn) | CutA in complex with CMPCPP | 分子名称: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, CALCIUM ION, CutA | 著者 | Malik, D, Kobylecki, K, Krawczyk, P, Poznanski, J, Jakielaszek, A, Napiorkowska, A, Dziembowski, A, Tomecki, R, Nowotny, M. | 登録日 | 2020-04-29 | 公開日 | 2020-08-05 | 最終更新日 | 2020-09-30 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine. Nucleic Acids Res., 48, 2020
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6GL8
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![BU of 6gl8 by Molmil](/molmil-images/mine/6gl8) | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | 分子名称: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | 著者 | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | 登録日 | 2018-05-23 | 公開日 | 2018-11-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth. Oncotarget, 9, 2018
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6BR6
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![BU of 6br6 by Molmil](/molmil-images/mine/6br6) | N2 neuraminidase in complex with a novel antiviral compound | 分子名称: | (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | 登録日 | 2017-11-30 | 公開日 | 2018-03-07 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.03983879 Å) | 主引用文献 | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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