8DVO
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![BU of 8dvo by Molmil](/molmil-images/mine/8dvo) | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | Deposit date: | 2022-07-29 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 To Be Published
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6TFK
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![BU of 6tfk by Molmil](/molmil-images/mine/6tfk) | Vip3Aa toxin structure | Descriptor: | MAGNESIUM ION, Vegetative insecticidal protein | Authors: | Nunez-Ramirez, R, Huesa, J, Bel, Y, Ferre, J, Casino, P, Arias-Palomo, E. | Deposit date: | 2019-11-14 | Release date: | 2020-08-12 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular architecture and activation of the insecticidal protein Vip3Aa from Bacillus thuringiensis. Nat Commun, 11, 2020
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6CR0
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![BU of 6cr0 by Molmil](/molmil-images/mine/6cr0) | 1.55 A resolution structure of (S)-6-hydroxynicotine oxidase from Shinella HZN7 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-6-hydroxynicotine oxidase, ACETATE ION, ... | Authors: | Deay III, D, Lovell, S, Battaile, K.P, Petillo, P, Richter, M. | Deposit date: | 2018-03-16 | Release date: | 2018-03-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.548 Å) | Cite: | Improving the kinetic parameters of nicotine oxidizing enzymes by homologous structure comparison and rational design Arch.Biochem.Biophys., 2022
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5AR5
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![BU of 5ar5 by Molmil](/molmil-images/mine/5ar5) | RIP2 Kinase Catalytic Domain (1 - 310) complex with Benzimidazole | Descriptor: | 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE, CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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8JA3
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![BU of 8ja3 by Molmil](/molmil-images/mine/8ja3) | Structure of beta-arrestin1 in complex with C3aRpp | Descriptor: | Beta-arrestin-1, C3a anaphylatoxin chemotactic receptor, Fab30 heavy chain, ... | Authors: | Maharana, J, Sarma, P, Yadav, M.K, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2023-05-05 | Release date: | 2023-12-27 | Last modified: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Molecular insights into atypical modes of beta-arrestin interaction with seven transmembrane receptors. Science, 383, 2024
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3OZ3
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![BU of 3oz3 by Molmil](/molmil-images/mine/3oz3) | Vinyl Carbocyclic LNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*(UVX)P*AP*CP*GP*C)-3') | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
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1O4C
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![BU of 1o4c by Molmil](/molmil-images/mine/1o4c) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHOSPHATE. | Descriptor: | PHOSPHATE ION, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
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1O4I
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![BU of 1o4i by Molmil](/molmil-images/mine/1o4i) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PAS219. | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
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7V15
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![BU of 7v15 by Molmil](/molmil-images/mine/7v15) | Factor XIa in Complex with Compound 2i | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain | Authors: | Shaffer, P.L, Cedervall, P, Milligan, C.M. | Deposit date: | 2022-05-11 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65, 2022
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7D0Y
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![BU of 7d0y by Molmil](/molmil-images/mine/7d0y) | |
7U1N
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![BU of 7u1n by Molmil](/molmil-images/mine/7u1n) | Crystal structure of the Anopheles darlingi AD-118 long form D7 salivary protein | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-ETHOXYETHANOL, ... | Authors: | Alvarenga, P.H, Gittis, A.G, Garboczi, D.N, Andersen, J.F. | Deposit date: | 2022-02-21 | Release date: | 2022-05-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes. Insect Biochem.Mol.Biol., 146, 2022
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5AR4
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![BU of 5ar4 by Molmil](/molmil-images/mine/5ar4) | RIP2 Kinase Catalytic Domain (1 - 310) complex with SB-203580 | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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6NVF
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![BU of 6nvf by Molmil](/molmil-images/mine/6nvf) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 | Descriptor: | (4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, (4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, ATP-dependent dethiobiotin synthetase BioD, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 To Be Published
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5GVY
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![BU of 5gvy by Molmil](/molmil-images/mine/5gvy) | Crystal structure of SALT protein from Oryza sativa | Descriptor: | Salt stress-induced protein, alpha-D-mannopyranose | Authors: | Sharma, P, Sagar, A, Kaur, N, Sharma, I, Kirat, K, Ashish, F.N.U, Pati, P.K. | Deposit date: | 2016-09-07 | Release date: | 2017-09-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.662 Å) | Cite: | Structural insights into rice SalTol QTL located SALT protein. Sci Rep, 10, 2020
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7TX8
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![BU of 7tx8 by Molmil](/molmil-images/mine/7tx8) | Long form D7 protein from Anopheles darlingi with U46619 and serotonin bound | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Long form D7 salivary protein, SEROTONIN | Authors: | Andersen, J.F, Alvarenga, P.H. | Deposit date: | 2022-02-08 | Release date: | 2022-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes. Insect Biochem.Mol.Biol., 146, 2022
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6Z30
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![BU of 6z30 by Molmil](/molmil-images/mine/6z30) | Human cation-independent mannose 6-phosphate/ IGF2 receptor domains 9-10 | Descriptor: | Cation-independent mannose-6-phosphate receptor, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Bochel, A.J, Williams, C, Crump, M.P. | Deposit date: | 2020-05-19 | Release date: | 2020-08-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the Human Cation-Independent Mannose 6-Phosphate/IGF2 Receptor Domains 7-11 Uncovers the Mannose 6-Phosphate Binding Site of Domain 9. Structure, 28, 2020
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6Z36
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![BU of 6z36 by Molmil](/molmil-images/mine/6z36) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2020-05-19 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118 To Be Published
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6Z4D
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![BU of 6z4d by Molmil](/molmil-images/mine/6z4d) | Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001 | Descriptor: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2020-05-25 | Release date: | 2020-11-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands. Acs Med.Chem.Lett., 11, 2020
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1AGO
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![BU of 1ago by Molmil](/molmil-images/mine/1ago) | |
1O48
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![BU of 1o48 by Molmil](/molmil-images/mine/1o48) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85053. | Descriptor: | 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
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7U0C
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![BU of 7u0c by Molmil](/molmil-images/mine/7u0c) | Crystal structure of broadly neutralizing antibody HEPC3.4 | Descriptor: | HEPC3.4 Fab Heavy Chain, HEPC3.4 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J. | Deposit date: | 2022-02-17 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals. Nat Commun, 13, 2022
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5F8H
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![BU of 5f8h by Molmil](/molmil-images/mine/5f8h) | Enterovirus 71 Polymerase Elongation Complex (C1S1/2 Form) | Descriptor: | Genome polyprotein, MAGNESIUM ION, RNA (35-MER), ... | Authors: | Shu, B, Gong, P. | Deposit date: | 2015-12-09 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation Proc.Natl.Acad.Sci.USA, 113, 2016
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5Z6O
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![BU of 5z6o by Molmil](/molmil-images/mine/5z6o) | Crystal structure of Penicillium cyclopium protease | Descriptor: | CALCIUM ION, phenylmethanesulfonic acid, protease | Authors: | Ko, T.-P, Koszelak, S, Ng, J, Day, J, Greenwood, A, McPherson, A. | Deposit date: | 2018-01-24 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystallographic structure of the subtilisin protease from Penicillium cyclopium. Biochemistry, 36, 1997
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462D
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![BU of 462d by Molmil](/molmil-images/mine/462d) | CRYSTAL STRUCTURE OF THE HIV-1 GENOMIC RNA DIMERIZATION INITIATION SITE | Descriptor: | MAGNESIUM ION, RNA (5'-R(*CP*UP*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G) -3') | Authors: | Ennifar, E, Yusupov, M, Walter, P, Marquet, R, Ehresmann, C, Ehresmann, B, Dumas, P. | Deposit date: | 1999-03-18 | Release date: | 1999-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of the dimerization initiation site of genomic HIV-1 RNA reveals an extended duplex with two adenine bulges. Structure Fold.Des., 7, 1999
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6T58
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![BU of 6t58 by Molmil](/molmil-images/mine/6t58) | Structure determination of the transactivation domain of p53 in complex with S100A4 using annexin A2 as a crystallization chaperone | Descriptor: | CALCIUM ION, Cellular tumor antigen p53,Protein S100-A4,Protein S100-A4,Annexin A2, GLYCEROL | Authors: | Ecsedi, P, Gogl, G, Nyitray, L. | Deposit date: | 2019-10-15 | Release date: | 2020-05-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure Determination of the Transactivation Domain of p53 in Complex with S100A4 Using Annexin A2 as a Crystallization Chaperone. Structure, 28, 2020
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