5KV9
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![BU of 5kv9 by Molmil](/molmil-images/mine/5kv9) | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | Descriptor: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | Deposit date: | 2016-07-13 | Release date: | 2017-07-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design. Sci Rep, 7, 2017
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5OFK
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![BU of 5ofk by Molmil](/molmil-images/mine/5ofk) | Crystal structure of CbXyn10C variant E140Q/E248Q complexed with xyloheptaose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | Authors: | Hakulinen, N, Penttinen, L, Rouvinen, J, Tu, T. | Deposit date: | 2017-07-11 | Release date: | 2017-10-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose. J. Biol. Chem., 292, 2017
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5L1O
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![BU of 5l1o by Molmil](/molmil-images/mine/5l1o) | X-ray Structure of Cytochrome P450 PntM with Pentalenolactone F | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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7CP9
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![BU of 7cp9 by Molmil](/molmil-images/mine/7cp9) | Cryo-EM structure of human mitochondrial translocase TOM complex at 3.0 angstrom. | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Mitochondrial import receptor subunit TOM22 homolog, Mitochondrial import receptor subunit TOM40 homolog, ... | Authors: | Guan, Z, Yan, L, Wang, Q, Yan, C, Yin, P. | Deposit date: | 2020-08-06 | Release date: | 2021-04-28 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into assembly of human mitochondrial translocase TOM complex. Cell Discov, 7, 2021
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5OHJ
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![BU of 5ohj by Molmil](/molmil-images/mine/5ohj) | Human phosphodiesterase 4B catalytic domain in complex with a pyrrolidinyl inhibitor. | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate, ... | Authors: | Rizzi, A, Carzaniga, L, Armani, E. | Deposit date: | 2017-07-17 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives as Inhaled PDE4 Inhibitors for Respiratory Diseases. J. Med. Chem., 60, 2017
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2B1P
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![BU of 2b1p by Molmil](/molmil-images/mine/2b1p) | inhibitor complex of JNK3 | Descriptor: | 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID, BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 10, ... | Authors: | Swahn, B.M, Huerta, F, Kallin, E, Malmstrom, J, Weigelt, T, Viklund, J, Womack, P, Xue, Y, Ohberg, L. | Deposit date: | 2005-09-16 | Release date: | 2006-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3 Bioorg.Med.Chem.Lett., 15, 2005
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4RZ6
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![BU of 4rz6 by Molmil](/molmil-images/mine/4rz6) | Transaldolase B E96Q F178Y from E.coli | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K. | Deposit date: | 2014-12-18 | Release date: | 2015-10-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase ChemCatChem, 2015
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5KYB
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5KYK
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![BU of 5kyk by Molmil](/molmil-images/mine/5kyk) | Covalent GTP-competitive inhibitors of KRAS G12C: Guanosine bisphosphonate Analogs | Descriptor: | 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl)methyl](hydroxy)phosphoryl]guanosine, GTPase KRas | Authors: | Xiong, Y, Lu, J, Hunter, J, Li, L, Scott, D, Manandhar, A, Gondi, S, Westover, K.D, Gray, N.S. | Deposit date: | 2016-07-21 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Covalent Guanosine Mimetic Inhibitors of G12C KRAS. ACS Med Chem Lett, 8, 2017
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1CMZ
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![BU of 1cmz by Molmil](/molmil-images/mine/1cmz) | |
2B2G
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![BU of 2b2g by Molmil](/molmil-images/mine/2b2g) | MS2 Wild-type RNA stemloop complexed with an N87S mutant MS2 capsid | Descriptor: | 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP*UP*AP*CP*CP*CP*AP*UP*GP*U)-3', Coat protein | Authors: | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | Deposit date: | 2005-09-19 | Release date: | 2006-05-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2 Structure, 14, 2006
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5KZF
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2B3O
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![BU of 2b3o by Molmil](/molmil-images/mine/2b3o) | Crystal structure of human tyrosine phosphatase SHP-1 | Descriptor: | Tyrosine-protein phosphatase, non-receptor type 6 | Authors: | Yang, J, Liu, L, He, D, Song, X, Liang, X, Zhao, Z.J, Zhou, G.W. | Deposit date: | 2005-09-20 | Release date: | 2005-10-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human protein-tyrosine phosphatase SHP-1. J.Biol.Chem., 278, 2003
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2ANN
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![BU of 2ann by Molmil](/molmil-images/mine/2ann) | Crystal structure (I) of Nova-1 KH1/KH2 domain tandem with 25 nt RNA hairpin | Descriptor: | 5'-R(*CP*GP*CP*GP*CP*GP*GP*AP*UP*CP*AP*GP*UP*CP*AP*CP*CP*CP*AP*AP*GP*CP*GP*CP*G)-3', MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Malinina, L, Teplova, M, Musunuru, K, Teplov, A, Darnell, J.C, Burley, S.K, Darnell, R.B, Patel, D.J. | Deposit date: | 2005-08-11 | Release date: | 2006-10-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Protein-RNA and protein-protein recognition by dual KH1/2 domains of the neuronal splicing factor Nova-1. Structure, 19, 2011
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4ZHM
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![BU of 4zhm by Molmil](/molmil-images/mine/4zhm) | |
7ULG
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![BU of 7ulg by Molmil](/molmil-images/mine/7ulg) | recombinant alpha cobra toxin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Alpha-cobratoxin | Authors: | Xu, J, Lei, X, Chen, L. | Deposit date: | 2022-04-04 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure of recombinant alpha cobra toxin at 1.57 Angstroms To Be Published
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5L1Q
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![BU of 5l1q by Molmil](/molmil-images/mine/5l1q) | X-ray Structure of Cytochrome P450 PntM with Dihydropentalenolactone F | Descriptor: | Dihydropentalenolactone F, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase | Authors: | Duan, L, Jogl, G, Cane, D.E. | Deposit date: | 2016-07-29 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism. J.Am.Chem.Soc., 138, 2016
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7ULR
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![BU of 7ulr by Molmil](/molmil-images/mine/7ulr) | recombinant kappa-bungarotoxin | Descriptor: | Kappa-bungarotoxin | Authors: | Xu, J, Lei, X, Chen, L. | Deposit date: | 2022-04-05 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of recombinant kappa-bungarotoxin at 1.8 Angstroms resolution. To Be Published
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7ULS
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![BU of 7uls by Molmil](/molmil-images/mine/7uls) | Recombinant muscarinic toxin alpha | Descriptor: | GLYCEROL, Muscarinic toxin alpha | Authors: | Xu, J, Lei, X, Chen, L. | Deposit date: | 2022-04-05 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | recombinant MTalpha at 1.8 Angstroms resolution To Be Published
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5L7I
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![BU of 5l7i by Molmil](/molmil-images/mine/5l7i) | Structure of human Smoothened in complex with Vismodegib | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ... | Authors: | Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C. | Deposit date: | 2016-06-03 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of Smoothened regulation by its extracellular domains. Nature, 535, 2016
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2AOH
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![BU of 2aoh by Molmil](/molmil-images/mine/2aoh) | Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P6-PR | Descriptor: | CHLORIDE ION, PEPTIDE INHIBITOR, POL POLYPROTEIN, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
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2AP1
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![BU of 2ap1 by Molmil](/molmil-images/mine/2ap1) | Crystal structure of the putative regulatory protein | Descriptor: | SODIUM ION, ZINC ION, putative regulator protein | Authors: | Brunzelle, J.S, Minasov, G, Shuvalova, L, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-08-15 | Release date: | 2005-09-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the putative regulatory protein To be Published
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4ZKO
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![BU of 4zko by Molmil](/molmil-images/mine/4zko) | |
5L9S
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2ATL
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![BU of 2atl by Molmil](/molmil-images/mine/2atl) | Unmodified Insertion Ternary Complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*T*AP*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*(DDG))-3', ... | Authors: | Rechkoblit, O, Malinina, L, Cheng, Y, Kuryavyi, V, Broyde, S, Geacintov, N.E, Patel, D.J. | Deposit date: | 2005-08-25 | Release date: | 2006-01-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Stepwise Translocation of Dpo4 Polymerase during Error-Free Bypass of an oxoG Lesion Plos Biol., 4, 2006
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