4QWL
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![BU of 4qwl by Molmil](/molmil-images/mine/4qwl) | yCP beta5-A50V mutant in complex with carfilzomib | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Huber, E.M, Heinemeyer, W, Groll, M. | 登録日 | 2014-07-16 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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4QY2
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![BU of 4qy2 by Molmil](/molmil-images/mine/4qy2) | Structure of H10 from human-infecting H10N8 virus in complex with human receptor analog | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, hemagglutinin | 著者 | Wang, M, Zhang, W, Qi, J, Wang, F, Zhou, J, Bi, Y, Wu, Y, Sun, H, Liu, J, Huang, C, Li, X, Yan, J, Shu, Y, Shi, Y, Gao, G.F. | 登録日 | 2014-07-23 | 公開日 | 2015-01-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.399 Å) | 主引用文献 | Structural basis for preferential avian receptor binding by the human-infecting H10N8 avian influenza virus Nat Commun, 6, 2015
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4QZ7
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![BU of 4qz7 by Molmil](/molmil-images/mine/4qz7) | yCP beta5-A50V mutant in complex with the epoxyketone inhibitor ONX 0914 | 分子名称: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Huber, E.M, Heinemeyer, W, Groll, M. | 登録日 | 2014-07-27 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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4R7O
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![BU of 4r7o by Molmil](/molmil-images/mine/4r7o) | Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Kim, Y, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-08-28 | 公開日 | 2014-09-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.534 Å) | 主引用文献 | Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci To be Published
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4R07
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![BU of 4r07 by Molmil](/molmil-images/mine/4r07) | Crystal structure of human TLR8 in complex with ORN06 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3'-O-[(R)-{[(2R,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]uridine 5'-(dihydrogen phosphate), ... | 著者 | Tanji, H, Ohto, U, Shibata, T, Taoka, M, Yamauchi, Y, Isobe, T, Miyake, K, Shimizu, T. | 登録日 | 2014-07-30 | 公開日 | 2015-01-14 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Toll-like receptor 8 senses degradation products of single-stranded RNA Nat.Struct.Mol.Biol., 22, 2015
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8BYW
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![BU of 8byw by Molmil](/molmil-images/mine/8byw) | Rut B structure | 分子名称: | Ureidoacrylate amidohydrolase RutB | 著者 | Rajendran, C, Sterner, R, Busch, M. | 登録日 | 2022-12-14 | 公開日 | 2023-01-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Structural and Functional Characterization of the Ureidoacrylate Amidohydrolase RutB from Escherichia coli . Biochemistry, 62, 2023
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4NKN
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![BU of 4nkn by Molmil](/molmil-images/mine/4nkn) | |
4RBN
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![BU of 4rbn by Molmil](/molmil-images/mine/4rbn) | The crystal structure of Nitrosomonas europaea sucrose synthase: Insights into the evolutionary origin of sucrose metabolism in prokaryotes | 分子名称: | Sucrose synthase:Glycosyl transferases group 1 | 著者 | Wu, R, Asencion Diez, M.D, Figueroa, C.M, Machtey, M, Iglesias, A.A, Ballicora, M.A, Liu, D. | 登録日 | 2014-09-12 | 公開日 | 2015-07-01 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | The Crystal Structure of Nitrosomonas europaea Sucrose Synthase Reveals Critical Conformational Changes and Insights into Sucrose Metabolism in Prokaryotes. J.Bacteriol., 197, 2015
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4QV3
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![BU of 4qv3 by Molmil](/molmil-images/mine/4qv3) | yCP beta5-M45V mutant | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | 著者 | Huber, E.M, Heinemeyer, W, Groll, M. | 登録日 | 2014-07-14 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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4RFO
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![BU of 4rfo by Molmil](/molmil-images/mine/4rfo) | Crystal structure of the ADCC-Potent Antibody N60-I3 Fab in complex with HIV-1 Clade A/E gp120 and M48u1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade A/E gp120, N60-i3 Fab heavy chain, ... | 著者 | Tolbert, W.D, Gohain, N, Pazgier, M. | 登録日 | 2014-09-26 | 公開日 | 2015-07-15 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Cocrystal Structures of Antibody N60-i3 and Antibody JR4 in Complex with gp120 Define More Cluster A Epitopes Involved in Effective Antibody-Dependent Effector Function against HIV-1. J.Virol., 89, 2015
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4QW5
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![BU of 4qw5 by Molmil](/molmil-images/mine/4qw5) | yCP beta5-M45A mutant in complex with carfilzomib | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | 著者 | Huber, E.M, Heinemeyer, W, Groll, M. | 登録日 | 2014-07-16 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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8CIS
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![BU of 8cis by Molmil](/molmil-images/mine/8cis) | The FERM domain of human moesin with two bound peptides identified by phage display | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, C3P, ... | 著者 | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | 登録日 | 2023-02-10 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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4QXU
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![BU of 4qxu by Molmil](/molmil-images/mine/4qxu) | Novel Inhibition Mechanism of Membrane Metalloprotease by an Exosite-Swiveling Conformational antibody | 分子名称: | Matrix metalloproteinase-14, SULFATE ION, anti_MT1-MMP Heavy chain, ... | 著者 | Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Moreno, v, Cuiniasse, P, Dive, V, Arroyo, A.G, Sagi, I, Israel Structural Proteomics Center (ISPC) | 登録日 | 2014-07-22 | 公開日 | 2014-12-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody. Structure, 23, 2015
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6PC9
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![BU of 6pc9 by Molmil](/molmil-images/mine/6pc9) | Crystal Structure of EcDsbA in a complex with purified methylpiperazinone 6 | 分子名称: | 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, TRIETHYLENE GLYCOL, Thiol:disulfide interchange protein DsbA | 著者 | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | 登録日 | 2019-06-17 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
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4NQ0
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![BU of 4nq0 by Molmil](/molmil-images/mine/4nq0) | Structural insights into yeast histone chaperone Hif1: a scaffold protein recruiting protein complexes to core histones | 分子名称: | HAT1-interacting factor 1 | 著者 | Liu, H, Zhang, M, He, W, Zhu, Z, Teng, M, Gao, Y, Niu, L. | 登録日 | 2013-11-23 | 公開日 | 2014-07-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into yeast histone chaperone Hif1: a scaffold protein recruiting protein complexes to core histones Biochem.J., 462, 2014
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8CIR
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![BU of 8cir by Molmil](/molmil-images/mine/8cir) | The FERM domain of human moesin with a bound peptide identified by phage display | 分子名称: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, ... | 著者 | Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E. | 登録日 | 2023-02-10 | 公開日 | 2023-03-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease. J.Biol.Chem., 299, 2023
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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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4QZ0
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![BU of 4qz0 by Molmil](/molmil-images/mine/4qz0) | yCP beta5-M45V mutant in complex with the epoxyketone inhibitor ONX 0914 | 分子名称: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | 著者 | Huber, E.M, Heinemeyer, W, Groll, M. | 登録日 | 2014-07-27 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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4RET
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![BU of 4ret by Molmil](/molmil-images/mine/4ret) | Crystal structure of the Na,K-ATPase E2P-digoxin complex with bound magnesium | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | 著者 | Gregersen, J.L, Laursen, M, Yatime, L, Nissen, P, Fedosova, N.U. | 登録日 | 2014-09-23 | 公開日 | 2015-01-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Structures and characterization of digoxin- and bufalin-bound Na+,K+-ATPase compared with the ouabain-bound complex. Proc.Natl.Acad.Sci.USA, 112, 2015
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7JST
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![BU of 7jst by Molmil](/molmil-images/mine/7jst) | Crystal structure of SARS-CoV-2 3CL in apo form | 分子名称: | 3C-like proteinase, PHOSPHATE ION | 著者 | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | 登録日 | 2020-08-16 | 公開日 | 2021-03-03 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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4R4Z
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![BU of 4r4z by Molmil](/molmil-images/mine/4r4z) | Structure of PNGF-II in P21 space group | 分子名称: | PNGF-II | 著者 | Sun, G, Yu, X, Celimuge, Wang, L, Li, M, Gan, J, Qu, D, Ma, J, Chen, L. | 登録日 | 2014-08-20 | 公開日 | 2015-01-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Identification and
Characterization of a Novel Prokaryotic Peptide: N-glycosidase from
Elizabethkingia meningoseptica J.Biol.Chem., 2015
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4NVQ
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![BU of 4nvq by Molmil](/molmil-images/mine/4nvq) | Human G9a in Complex with Inhibitor A-366 | 分子名称: | 5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Sweis, R.F, Pliushchev, M, Brown, P.J, Guo, J, Li, F, Maag, D, Petros, A.M, Soni, N.B, Tse, C, Vedadi, M, Michaelides, M.R, Chiang, G.G, Pappano, W.N. | 登録日 | 2013-12-05 | 公開日 | 2014-01-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery and development of potent and selective inhibitors of histone methyltransferase g9a. ACS Med Chem Lett, 5, 2014
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4R69
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![BU of 4r69 by Molmil](/molmil-images/mine/4r69) | Lactate Dehydrogenase in complex with inhibitor compound 13 | 分子名称: | (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2014-08-22 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. Bioorg.Med.Chem.Lett., 25, 2014
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4QRD
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![BU of 4qrd by Molmil](/molmil-images/mine/4qrd) | Structure of Methionyl-tRNA Synthetase in complex with N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine | 分子名称: | MAGNESIUM ION, Methionyl-tRNA synthetase, N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine | 著者 | Li, X, Hilgers, M.T, Stidham, M, Brown-Driver, V, Shaw, K.J, Finn, J. | 登録日 | 2014-06-30 | 公開日 | 2015-07-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase to be published
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7JT0
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![BU of 7jt0 by Molmil](/molmil-images/mine/7jt0) | Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576 | 分子名称: | 3C-like proteinase, PHOSPHATE ION, thiophene-2-carbaldehyde | 著者 | Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D. | 登録日 | 2020-08-16 | 公開日 | 2021-03-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun, 12, 2021
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