4QQN
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![BU of 4qqn by Molmil](/molmil-images/mine/4qqn) | Protein arginine methyltransferase 3 in complex with compound MTV044246 | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). J. Med. Chem., 61, 2018
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2YPB
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![BU of 2ypb by Molmil](/molmil-images/mine/2ypb) | Structure of the SCL:E47 complex bound to DNA | Descriptor: | EBOX FORWARD, EBOX REVERSE, T-CELL ACUTE LYMPHOCYTIC LEUKEMIA PROTEIN 1, ... | Authors: | El Omari, K, Hoosdally, S.J, Tuladhar, K, Karia, D, Ponsele, E, Platonova, O, Vyas, P, Patient, R, Porcher, C, Mancini, E.J. | Deposit date: | 2012-10-30 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structural Basis for Lmo2-Driven Recruitment of the Scl:E47bHLH Heterodimer to Hematopoietic-Specific Transcriptional Targets. Cell Rep., 4, 2013
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4XR8
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![BU of 4xr8 by Molmil](/molmil-images/mine/4xr8) | Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ... | Authors: | Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K. | Deposit date: | 2015-01-20 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53. Nature, 529, 2016
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8H8F
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![BU of 8h8f by Molmil](/molmil-images/mine/8h8f) | Structure of Xenopus tropicalis acid-sensitive outwardly rectifying channel ASOR (resting state) | Descriptor: | Proton-activated chloride channel | Authors: | Chi, P, Wang, X, Li, J, Li, K, Zhang, Y, Geng, J, Wu, J, Deng, D. | Deposit date: | 2022-10-22 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.48 Å) | Cite: | Structure of Xenopus tropicalis acid-sensitive outwardly rectifying channel ASOR (resting state) To Be Published
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8H8E
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![BU of 8h8e by Molmil](/molmil-images/mine/8h8e) | Structure of the dimeric Xenopus tropical acid-sensitive outwardly rectifying channel ASOR trimer bound with tRNA (closed state) | Descriptor: | Proton-activated chloride channel, tRNA (75-MER)of Spodoptera frugiperda | Authors: | Chi, P, Wang, X, Li, J, Li, K, Zhang, Y, Geng, J, Wu, J, Deng, D. | Deposit date: | 2022-10-22 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Structure of the dimeric Xenopus tropical acid-sensitive outwardly rectifying channel ASOR trimer bound with tRNA (closed state) To Be Published
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8H8D
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![BU of 8h8d by Molmil](/molmil-images/mine/8h8d) | Structure of Xenopus tropicalis acid-sensitive outwardly rectifying channel ASOR trimer bound with tRNA (intermediate state) | Descriptor: | Proton-activated chloride channel | Authors: | Chi, P, Wang, X, Li, J, Li, K, Zhang, Y, Geng, J, Wu, J, Deng, D. | Deposit date: | 2022-10-22 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.26 Å) | Cite: | Structure of Xenopus tropicalis acid-sensitive outwardly rectifying channel ASOR trimer bound with tRNA (intermediate state) To Be Published
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2YMP
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![BU of 2ymp by Molmil](/molmil-images/mine/2ymp) | Chloroacetic acid complex bound L-haloacid dehalogenase from a Rhodobacteraceae family bacterium | Descriptor: | L-HALOACID DEHALOGENASE | Authors: | Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A. | Deposit date: | 2012-10-10 | Release date: | 2013-05-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water. FEBS J., 280, 2013
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6PK6
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![BU of 6pk6 by Molmil](/molmil-images/mine/6pk6) | Human PRPF4B bound to benzothiophene inhibitor 329 | Descriptor: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | to be published To Be Published
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4XE5
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![BU of 4xe5 by Molmil](/molmil-images/mine/4xe5) | Crystal structure of the Na,K-ATPase from bovine | Descriptor: | CHOLESTEROL, MAGNESIUM ION, OUABAIN, ... | Authors: | Gregersen, J.L, Mattle, D, Fedosova, N.U, Nissen, P, Reinhard, L. | Deposit date: | 2014-12-22 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.901 Å) | Cite: | Isolation, crystallization and crystal structure determination of bovine kidney Na(+),K(+)-ATPase. Acta Crystallogr.,Sect.F, 72, 2016
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8HW6
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![BU of 8hw6 by Molmil](/molmil-images/mine/8hw6) | Crystal structure of Heterodera glycines chitinase 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Chen, W, Chen, Q, Wang, D, Yang, Q. | Deposit date: | 2022-12-29 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.923 Å) | Cite: | Crystal structure of Heterodera glycines chitinase 2 To Be Published
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4XIN
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![BU of 4xin by Molmil](/molmil-images/mine/4xin) | |
2YNI
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![BU of 2yni by Molmil](/molmil-images/mine/2yni) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-15 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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4XKJ
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![BU of 4xkj by Molmil](/molmil-images/mine/4xkj) | |
8HW8
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![BU of 8hw8 by Molmil](/molmil-images/mine/8hw8) | Crystal structure of Heterodera glycines chitinase 2 D129A/E131A mutant in complex with nodulation factor SmNF-V (C16:2, S) | Descriptor: | (2~{Z},9~{E})-~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]hexadeca-2,9-dienamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, ... | Authors: | Chen, W, Chen, Q, Wang, D, Yang, Q. | Deposit date: | 2022-12-29 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystal structure of Heterodera glycines chitinase 2 D129A/E131A mutant in complex with nodulation factor SmNF-V (C16:2, S) To Be Published
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8HW7
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![BU of 8hw7 by Molmil](/molmil-images/mine/8hw7) | Crystal structure of Heterodera glycines chitinase 2 D129A/E131A mutant in complex with chitopentaose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase | Authors: | Chen, W, Chen, Q, Wang, D, Yang, Q. | Deposit date: | 2022-12-29 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of Heterodera glycines chitinase 2 D129A/E131A mutant in complex with chitopentaose To Be Published
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3BFJ
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![BU of 3bfj by Molmil](/molmil-images/mine/3bfj) | Crystal structure analysis of 1,3-propanediol oxidoreductase | Descriptor: | 1,3-propanediol oxidoreductase, FE (II) ION | Authors: | Marcal, D, Enguita, F.J, Carrondo, M.A, Structural Proteomics in Europe (SPINE) | Deposit date: | 2007-11-21 | Release date: | 2008-11-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | 1,3-propanediol dehydrogenase from Klebsiella pneumoniae: decameric quaternary structure and possible subunit cooperativity J.Bacteriol., 191, 2009
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3B9W
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![BU of 3b9w by Molmil](/molmil-images/mine/3b9w) | |
8I5D
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![BU of 8i5d by Molmil](/molmil-images/mine/8i5d) | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, MHC class I antigen (Fragment), TCR alpha chain, ... | Authors: | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | Deposit date: | 2023-01-25 | Release date: | 2023-08-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Nat Commun, 2023
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4XRA
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![BU of 4xra by Molmil](/molmil-images/mine/4xra) | Salmonella typhimurium AhpC T43S mutant | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Perkins, A, Brereton, A.E, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | Deposit date: | 2015-01-20 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal., 28, 2018
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6P24
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![BU of 6p24 by Molmil](/molmil-images/mine/6p24) | Escherichia coli tRNA synthetase | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Kahne, D, Baidin, V, Owens, T.W. | Deposit date: | 2019-05-20 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
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6P44
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![BU of 6p44 by Molmil](/molmil-images/mine/6p44) | Crystal Structure of Ketosteroid Isomerase D38N mutant from Mycobacterium hassiacum (mhKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, GUANIDINE, SULFATE ION, ... | Authors: | Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D. | Deposit date: | 2019-05-25 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Parallel molecular mechanisms for enzyme temperature adaptation. Science, 371, 2021
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3BFK
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![BU of 3bfk by Molmil](/molmil-images/mine/3bfk) | Crystal structure of Plasmodium falciparum Rab11a in complex with GDP | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Small GTPase Rab11 | Authors: | Pizarro, J.C, Sukumar, D, Hassanali, A, Lin, L, Wernimont, A.K, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2007-11-21 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Plasmodium falciparum Rab11a in complex with GDP. To be Published
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3B0F
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![BU of 3b0f by Molmil](/molmil-images/mine/3b0f) | Crystal structure of the UBA domain of p62 and its interaction with ubiquitin | Descriptor: | SULFATE ION, Sequestosome-1 | Authors: | Isogai, S, Morimoto, D, Arita, K, Unzai, S, Tenno, T, Hasegawa, J, Sou, Y, Komatsu, M, Tanaka, K, Shirakawa, M, Tochio, H. | Deposit date: | 2011-06-09 | Release date: | 2011-06-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the ubiquitin-associated (UBA) domain of p62 and its interaction with ubiquitin. J.Biol.Chem., 286, 2011
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6P7W
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![BU of 6p7w by Molmil](/molmil-images/mine/6p7w) | Structure of the K. lactis CBF3 core - Ndc10 D1 complex | Descriptor: | Cep3, Ctf13, Ndc10, ... | Authors: | Lee, P.D, Wei, H, Tan, D, Harrison, S.C. | Deposit date: | 2019-06-06 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure of the Centromere Binding Factor 3 Complex from Kluyveromyces lactis. J.Mol.Biol., 431, 2019
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2VTL
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![BU of 2vtl by Molmil](/molmil-images/mine/2vtl) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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