5N8C
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![BU of 5n8c by Molmil](/molmil-images/mine/5n8c) | Crystal structure of Pseudomonas aeruginosa LpxC complexed with inhibitor | 分子名称: | (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | 著者 | Cross, J.B, Ryan, M.D, Zhang, J, Cheng, R.K, Wood, M, Andersen, O.A, Brooks, M, Kwong, J, Barker, J. | 登録日 | 2017-02-23 | 公開日 | 2017-03-29 | 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 discovery of LpxC inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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4WWO
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![BU of 4wwo by Molmil](/molmil-images/mine/4wwo) | Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | 分子名称: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2014-11-11 | 公開日 | 2014-12-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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5IND
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![BU of 5ind by Molmil](/molmil-images/mine/5ind) | Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection | 分子名称: | Beta-2-microglobulin, GLN-ALA-SER-GLN-ASP-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ... | 著者 | Li, X, Wang, J.-H. | 登録日 | 2016-03-07 | 公開日 | 2016-10-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.132 Å) | 主引用文献 | Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection. Protein Cell, 7, 2016
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3IGI
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![BU of 3igi by Molmil](/molmil-images/mine/3igi) | Tertiary Architecture of the Oceanobacillus Iheyensis Group II Intron | 分子名称: | 5'-R(*CP*GP*CP*UP*CP*UP*AP*CP*UP*CP*UP*AP*U)-3', Group IIC intron, MAGNESIUM ION, ... | 著者 | Toor, N, Keating, K.S, Fedorova, O, Rajashankar, K, Wang, J, Pyle, A.M. | 登録日 | 2009-07-27 | 公開日 | 2009-12-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.125 Å) | 主引用文献 | Tertiary architecture of the Oceanobacillus iheyensis group II intron. Rna, 16, 2010
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1FBD
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![BU of 1fbd by Molmil](/molmil-images/mine/1fbd) | CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE | 分子名称: | 2,5-anhydro-1,6-di-O-phosphono-D-glucitol, FRUCTOSE 1,6-BISPHOSPHATASE, MANGANESE (II) ION | 著者 | Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N. | 登録日 | 1992-10-16 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase. Biochemistry, 32, 1993
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2JXW
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![BU of 2jxw by Molmil](/molmil-images/mine/2jxw) | |
6ASY
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![BU of 6asy by Molmil](/molmil-images/mine/6asy) | BiP-ATP2 | 分子名称: | 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | 著者 | Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L. | 登録日 | 2017-08-26 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s. Nat Commun, 8, 2017
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2BM2
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![BU of 2bm2 by Molmil](/molmil-images/mine/2bm2) | human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone | 分子名称: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE | 著者 | Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H. | 登録日 | 2005-03-09 | 公開日 | 2005-03-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase Bioorg.Med.Chem., 13, 2005
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1RWT
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![BU of 1rwt by Molmil](/molmil-images/mine/1rwt) | Crystal Structure of Spinach Major Light-harvesting complex at 2.72 Angstrom Resolution | 分子名称: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | 著者 | Liu, Z, Yan, H, Wang, K, Kuang, T, Zhang, J, Gui, L, An, X, Chang, W. | 登録日 | 2003-12-17 | 公開日 | 2004-03-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Crystal structure of spinach major light-harvesting complex at 2.72 A resolution Nature, 428, 2004
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7E24
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![BU of 7e24 by Molmil](/molmil-images/mine/7e24) | |
7E28
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![BU of 7e28 by Molmil](/molmil-images/mine/7e28) | |
7EO7
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![BU of 7eo7 by Molmil](/molmil-images/mine/7eo7) | Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin | 分子名称: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | 著者 | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | 登録日 | 2021-04-21 | 公開日 | 2021-10-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.24916625 Å) | 主引用文献 | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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6JI7
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![BU of 6ji7 by Molmil](/molmil-images/mine/6ji7) | |
5INC
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![BU of 5inc by Molmil](/molmil-images/mine/5inc) | Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection | 分子名称: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ... | 著者 | Li, X, Wang, J.-H. | 登録日 | 2016-03-07 | 公開日 | 2016-10-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.881 Å) | 主引用文献 | Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection. Protein Cell, 7, 2016
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1FBH
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![BU of 1fbh by Molmil](/molmil-images/mine/1fbh) | CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE | 分子名称: | 1,6-di-O-phosphono-alpha-D-fructofuranose, 1,6-di-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE | 著者 | Zhang, Y, Liang, J.-Y, Huang, S, Ke, H, Lipscomb, W.N. | 登録日 | 1992-10-16 | 公開日 | 1993-10-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystallographic studies of the catalytic mechanism of the neutral form of fructose-1,6-bisphosphatase. Biochemistry, 32, 1993
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6J6K
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![BU of 6j6k by Molmil](/molmil-images/mine/6j6k) | Apo-state streptavidin | 分子名称: | Streptavidin | 著者 | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | 登録日 | 2019-01-15 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution. Nat Commun, 10, 2019
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3ID4
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![BU of 3id4 by Molmil](/molmil-images/mine/3id4) | Crystal Structure of RseP PDZ2 domain fused GKASPV peptide | 分子名称: | Regulator of sigma E protease | 著者 | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | 登録日 | 2009-07-20 | 公開日 | 2009-08-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | 主引用文献 | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage Proc.Natl.Acad.Sci.USA, 106, 2009
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6J6J
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![BU of 6j6j by Molmil](/molmil-images/mine/6j6j) | Biotin-bound streptavidin | 分子名称: | BIOTIN, Streptavidin | 著者 | Fan, X, Wang, J, Lei, J.L, Wang, H.W. | 登録日 | 2019-01-15 | 公開日 | 2019-05-29 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution. Nat Commun, 10, 2019
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7Q1W
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![BU of 7q1w by Molmil](/molmil-images/mine/7q1w) | Ruminococcus gnavus ATC29149 endo-beta-1,4-galactosidase (RgGH98) E411A in complex with blood group A (BgA II) tetrasaccharide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Owen, C.D, Wu, H, Crost, E.H, van Bakel, W, Gascuena, A.M, Latousakis, D, Hicks, T, Walpole, S, Urbanowicz, P.A, Ndeh, D, Monaco, S, Salom, L.S, Griffiths, R, Colvile, A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N. | 登録日 | 2021-10-21 | 公開日 | 2022-03-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The human gut symbiont Ruminococcus gnavus shows specificity to blood group A antigen during mucin glycan foraging: Implication for niche colonisation in the gastrointestinal tract. Plos Biol., 19, 2021
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3ID1
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![BU of 3id1 by Molmil](/molmil-images/mine/3id1) | Crystal Structure of RseP PDZ1 domain | 分子名称: | Regulator of sigma E protease | 著者 | Li, X, Wang, B, Feng, L, Wang, J, Shi, Y. | 登録日 | 2009-07-20 | 公開日 | 2009-08-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Cleavage of RseA by RseP requires a carboxyl-terminal hydrophobic amino acid following DegS cleavage Proc.Natl.Acad.Sci.USA, 106, 2009
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8UOB
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![BU of 8uob by Molmil](/molmil-images/mine/8uob) | SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E. | 登録日 | 2023-10-19 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUG
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![BU of 8uug by Molmil](/molmil-images/mine/8uug) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303 | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-01 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUH
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![BU of 8uuh by Molmil](/molmil-images/mine/8uuh) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-01 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUW
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![BU of 8uuw by Molmil](/molmil-images/mine/8uuw) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUF
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![BU of 8uuf by Molmil](/molmil-images/mine/8uuf) | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941 | 分子名称: | ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ... | 著者 | Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-01 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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