8Y7X
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![BU of 8y7x by Molmil](/molmil-images/mine/8y7x) | Structure of HCoV-HKU1A spike in the functionally anchored-3up conformation with 3TMPRSS2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Lu, Y.C, Zhang, X, Wang, H.F, Liu, X.C, Sun, L, Yang, H.T. | Deposit date: | 2024-02-05 | Release date: | 2024-07-17 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | TMPRSS2 and glycan receptors synergistically facilitate coronavirus entry. Cell, 187, 2024
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7YW3
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![BU of 7yw3 by Molmil](/molmil-images/mine/7yw3) | Crystal structure of tRNA 2'-phosphotransferase from Homo sapiens | Descriptor: | 1,2-ETHANEDIOL, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, tRNA 2'-phosphotransferase 1 | Authors: | Yang, X.Y, Liu, X.H. | Deposit date: | 2022-08-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation. Nucleic Acids Res., 51, 2023
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7YW4
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7YW2
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![BU of 7yw2 by Molmil](/molmil-images/mine/7yw2) | Crystal structure of tRNA 2'-phosphotransferase from Mus musculus | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, GLYCINE, ... | Authors: | Yang, X.Y, Liu, X.H. | Deposit date: | 2022-08-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and biochemical insights into the molecular mechanism of TRPT1 for nucleic acid ADP-ribosylation. Nucleic Acids Res., 51, 2023
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5GWE
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![BU of 5gwe by Molmil](/molmil-images/mine/5gwe) | cytochrome P450 CREJ | Descriptor: | (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Dong, S, liu, X, Wang, X, Feng, Y. | Deposit date: | 2016-09-11 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1FTN
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![BU of 1ftn by Molmil](/molmil-images/mine/1ftn) | CRYSTAL STRUCTURE OF THE HUMAN RHOA/GDP COMPLEX | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, TRANSFORMING PROTEIN RHOA (H12) | Authors: | Wei, Y, Zhang, Y, Derewenda, U, Liu, X, Minor, W, Nakamoto, R.K, Somlyo, A.V, Somlyo, A.P, Derewenda, Z.S. | Deposit date: | 1997-03-13 | Release date: | 1998-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of RhoA-GDP and its functional implications. Nat.Struct.Biol., 4, 1997
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8W1V
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![BU of 8w1v by Molmil](/molmil-images/mine/8w1v) | The beta2 adrenergic receptor bound to a bitopic ligand | Descriptor: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Endolysin, Lauryl Maltose Neopentyl Glycol, ... | Authors: | Gaiser, B, Danielsen, M, Xu, X, Jorgensen, K, Fronik, P, Marcher-Rorsted, E, Wrobe, T, Hirata, K, Liu, X, Mathiesen, J, Pedersen, D. | Deposit date: | 2024-02-19 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bitopic Ligands Support the Presence of a Metastable Binding Site at the beta 2 Adrenergic Receptor. J.Med.Chem., 67, 2024
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1EJI
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![BU of 1eji by Molmil](/molmil-images/mine/1eji) | RECOMBINANT SERINE HYDROXYMETHYLTRANSFERASE (MOUSE) | Descriptor: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], SERINE HYDROXYMETHYLTRANSFERASE | Authors: | Szebenyi, D.M.E, Liu, X, Kriksunov, I.A, Stover, P.J, Thiel, D.J. | Deposit date: | 2000-03-02 | Release date: | 2000-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of a murine cytoplasmic serine hydroxymethyltransferase quinonoid ternary complex: evidence for asymmetric obligate dimers. Biochemistry, 39, 2000
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4EQ8
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![BU of 4eq8 by Molmil](/molmil-images/mine/4eq8) | Crystal structure of PA1844 from Pseudomonas aeruginosa PAO1 | Descriptor: | GLYCEROL, Putative uncharacterized protein | Authors: | Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L. | Deposit date: | 2012-04-18 | Release date: | 2012-09-12 | Last modified: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function. Biochem.J., 448, 2012
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4EQA
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![BU of 4eqa by Molmil](/molmil-images/mine/4eqa) | Crystal structure of PA1844 in complex with PA1845 from Pseudomonas aeruginosa PAO1 | Descriptor: | Putative uncharacterized protein | Authors: | Shang, G, Li, N, Zhang, J, Lu, D, Yu, Q, Zhao, Y, Liu, X, Xu, S, Gu, L. | Deposit date: | 2012-04-18 | Release date: | 2012-09-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insight into how Pseudomonas aeruginosa peptidoglycanhydrolase Tse1 and its immunity protein Tsi1 function. Biochem.J., 448, 2012
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3L82
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![BU of 3l82 by Molmil](/molmil-images/mine/3l82) | X-ray Crystal structure of TRF1 and Fbx4 complex | Descriptor: | F-box only protein 4, Telomeric repeat-binding factor 1 | Authors: | Zeng, Z.X, Wang, W, Yang, Y.T, Chen, Y, Yang, X.M, Diehl, J.A, Liu, X.D, Lei, M. | Deposit date: | 2009-12-29 | Release date: | 2010-03-09 | Last modified: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis of Selective Ubiquitination of TRF1 by SCF(Fbx4) Dev.Cell, 18, 2010
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5F5O
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![BU of 5f5o by Molmil](/molmil-images/mine/5f5o) | Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | Descriptor: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | Authors: | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | Deposit date: | 2015-12-04 | Release date: | 2017-05-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus J. Virol., 91, 2017
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7BUY
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![BU of 7buy by Molmil](/molmil-images/mine/7buy) | The crystal structure of COVID-19 main protease in complex with carmofur | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, hexylcarbamic acid | Authors: | Zhao, Y, Zhang, B, Jin, Z, Liu, X, Yang, H, Rao, Z. | Deposit date: | 2020-04-08 | Release date: | 2020-04-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur. Nat.Struct.Mol.Biol., 27, 2020
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7BU6
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![BU of 7bu6 by Molmil](/molmil-images/mine/7bu6) | Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-04 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7BTS
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![BU of 7bts by Molmil](/molmil-images/mine/7bts) | Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-02 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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7BU7
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![BU of 7bu7 by Molmil](/molmil-images/mine/7bu7) | Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-04 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
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1FJA
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7YEU
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![BU of 7yeu by Molmil](/molmil-images/mine/7yeu) | Superfolder green fluorescent protein with phosphine unnatural amino acid P3BF | Descriptor: | Superfolder green fluorescent protein | Authors: | Hu, C, Duan, H.Z, Liu, X.H, Chen, Y.X, Wang, J.Y. | Deposit date: | 2022-07-06 | Release date: | 2023-07-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Genetically Encoded Phosphine Ligand for Metalloprotein Design. J.Am.Chem.Soc., 144, 2022
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4RL2
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![BU of 4rl2 by Molmil](/molmil-images/mine/4rl2) | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | Descriptor: | (1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium, Beta-lactamase NDM-1, ZINC ION | Authors: | Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W. | Deposit date: | 2014-10-15 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins. J.Am.Chem.Soc., 136, 2014
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4RM5
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![BU of 4rm5 by Molmil](/molmil-images/mine/4rm5) | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | Descriptor: | Beta-lactamase NDM-1, ZINC ION | Authors: | Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W. | Deposit date: | 2014-10-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins. J.Am.Chem.Soc., 136, 2014
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4RL0
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![BU of 4rl0 by Molmil](/molmil-images/mine/4rl0) | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | Descriptor: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase NDM-1, ZINC ION | Authors: | Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W. | Deposit date: | 2014-10-14 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins. J.Am.Chem.Soc., 136, 2014
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1QFD
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![BU of 1qfd by Molmil](/molmil-images/mine/1qfd) | NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI) | Descriptor: | PROTEIN (ALPHA-AMYLASE INHIBITOR) | Authors: | Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S. | Deposit date: | 1999-04-08 | Release date: | 1999-07-16 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth. J.Biol.Chem., 274, 1999
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1QK6
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![BU of 1qk6 by Molmil](/molmil-images/mine/1qk6) | Solution structure of huwentoxin-I by NMR | Descriptor: | HUWENTOXIN-I | Authors: | Qu, Y, Liang, S, Ding, J, Liu, X, Zhang, R, Gu, X. | Deposit date: | 1999-07-10 | Release date: | 1999-08-20 | Last modified: | 2019-01-16 | Method: | SOLUTION NMR | Cite: | Proton Nuclear Magnetic Resonance Studies on Huwentoxin-I from the Venom of the Spider Selenocosmia Huwena:2.Three-Dimensional Structure in Solution J.Protein Chem., 16, 1997
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1JDG
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![BU of 1jdg by Molmil](/molmil-images/mine/1jdg) | Solution Structure of a Trans-Opened (10S)-dA Adduct of (+)-(7S,8R,9S,10R)-7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully Complementary DNA Duplex | Descriptor: | 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*(BPA)AP*CP*GP*AP*GP*G)-3', 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | Authors: | Pradhan, P, Tirumala, S, Liu, X, Sayer, J.M, Jerina, D.M, Yeh, H.J.C. | Deposit date: | 2001-06-13 | Release date: | 2001-07-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a trans-opened (10S)-dA adduct of (+)-(7S,8R,9S,10R)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a fully complementary DNA duplex: evidence for a major syn conformation. Biochemistry, 40, 2001
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3HTK
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![BU of 3htk by Molmil](/molmil-images/mine/3htk) | Crystal structure of Mms21 and Smc5 complex | Descriptor: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ZINC ION | Authors: | Duan, X, Sarangi, P, Liu, X, Rangi, G.K, Zhao, X, Ye, H. | Deposit date: | 2009-06-11 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural and functional insights into the roles of the Mms21 subunit of the Smc5/6 complex. Mol.Cell, 35, 2009
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