4DO4
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![BU of 4do4 by Molmil](/molmil-images/mine/4do4) | Pharmacological chaperones for human alpha-N-acetylgalactosaminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | Authors: | Clark, N.E, Garman, S.C. | Deposit date: | 2012-02-09 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Pharmacological chaperones for human alpha-N-acetylgalactosaminidase Proc.Natl.Acad.Sci.USA, 109, 2012
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4DOR
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3SEV
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![BU of 3sev by Molmil](/molmil-images/mine/3sev) | Zn-mediated Trimer of Maltose-binding Protein E310H/K314H by Synthetic Symmetrization | Descriptor: | CHLORIDE ION, Maltose-binding periplasmic protein, ZINC ION, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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4HTN
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![BU of 4htn by Molmil](/molmil-images/mine/4htn) | Mitigation of X-ray damage in macromolecular crystallography by submicrometer line focusing; total dose 1.32 x 10e+12 X-ray photons | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Duke, N.E.C, Finfrock, Y.Z, Stern, E.A, Alkire, R.W, Lazarski, K, Joachimiak, A. | Deposit date: | 2012-11-01 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mitigation of X-ray damage in macromolecular crystallography by submicrometre line focusing. Acta Crystallogr.,Sect.D, 69, 2013
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3SF6
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3CNK
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![BU of 3cnk by Molmil](/molmil-images/mine/3cnk) | Crystal Structure of the dimerization domain of human filamin A | Descriptor: | Filamin-A, SULFATE ION | Authors: | Lee, B.J, Seo, M.D, Seok, S.H, Lee, S.J, Kwon, A.R, Im, H. | Deposit date: | 2008-03-26 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the dimerization domain of human filamin A Proteins, 75, 2008
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3CNQ
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4DSH
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![BU of 4dsh by Molmil](/molmil-images/mine/4dsh) | Crystal structure of reduced UDP-Galactopyranose mutase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Dhatwalia, R, Singh, H, Tanner, J.J. | Deposit date: | 2012-02-18 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation. Biochemistry, 51, 2012
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3CLV
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![BU of 3clv by Molmil](/molmil-images/mine/3clv) | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Rab5 protein, ... | Authors: | Chattopadhyay, D, Wernimont, A.K, Langsley, G, Lew, J, Kozieradzki, I, Cossar, D, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-20 | Release date: | 2008-07-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal Structure of Rab5a from plasmodium falciparum, PFB0500c To be Published
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4HUX
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![BU of 4hux by Molmil](/molmil-images/mine/4hux) | Crystal Structure of H2Db-H155A-NP | Descriptor: | ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Gras, S, Twist, K.A, Rossjohn, J. | Deposit date: | 2012-11-05 | Release date: | 2013-02-27 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Preemptive priming readily overcomes structure-based mechanisms of virus escape. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HS9
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![BU of 4hs9 by Molmil](/molmil-images/mine/4hs9) | Methanol tolerant mutant of the Proteus mirabilis lipase | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Korman, T.P. | Deposit date: | 2012-10-29 | Release date: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dieselzymes: development of a stable and methanol tolerant lipase for biodiesel production by directed evolution. Biotechnol Biofuels, 6, 2013
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3SLG
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4DV4
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![BU of 4dv4 by Molmil](/molmil-images/mine/4dv4) | Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, A914G | Descriptor: | 16S rRNA, MAGNESIUM ION, ZINC ION, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Method: | X-RAY DIFFRACTION (3.651 Å) | Cite: | A structural basis for streptomycin resistance To be Published
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3CPO
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![BU of 3cpo by Molmil](/molmil-images/mine/3cpo) | Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | Descriptor: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | Deposit date: | 2008-03-31 | Release date: | 2008-09-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole J.Am.Chem.Soc., 130, 2008
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4DR2
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![BU of 4dr2 by Molmil](/molmil-images/mine/4dr2) | Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with multiple copies of paromomycin molecules bound | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-16 | Release date: | 2012-11-14 | Last modified: | 2013-01-30 | Method: | X-RAY DIFFRACTION (3.249 Å) | Cite: | A structural basis for streptomycin-induced misreading of the genetic code. Nat Commun, 4, 2013
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4DTZ
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![BU of 4dtz by Molmil](/molmil-images/mine/4dtz) | cytochrome P450 BM3h-8C8 MRI sensor bound to dopamine | Descriptor: | L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8 | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
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4DBS
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![BU of 4dbs by Molmil](/molmil-images/mine/4dbs) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid | Descriptor: | 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | Deposit date: | 2012-01-16 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. Bioorg.Med.Chem.Lett., 22, 2012
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4DC3
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![BU of 4dc3 by Molmil](/molmil-images/mine/4dc3) | Adenosine kinase from Schistosoma mansoni in complex with 2-fluoroadenosine | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, ADENOSINE, Adenosine kinase, ... | Authors: | Romanello, L, Bachega, F.R, Garatt, R.C, DeMarco, R, Brandao-neto, J, Pereira, H.M. | Deposit date: | 2012-01-17 | Release date: | 2012-11-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues. Acta Crystallogr.,Sect.D, 69, 2013
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4DNR
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4HWN
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![BU of 4hwn by Molmil](/molmil-images/mine/4hwn) | Crystal structure of the second Ig-C2 domain of human Fc-receptor like A (FCRLA), Isoform 9 [NYSGRC-005836] | Descriptor: | Fc receptor-like A | Authors: | Kumar, P.R, Ahmed, M, Bhosle, R, Calarese, D, Celikigil, A, Chan, M.K, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Rubinstein, R, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2012-11-08 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Crystal structure of the second Ig-C2 domain of the human Fc-receptor like A, Isoform 9 [NYSGRC-005836] to be published
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3S3N
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![BU of 3s3n by Molmil](/molmil-images/mine/3s3n) | Crystal structure of the Prototype Foamy Virus (PFV) S217H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572) | Descriptor: | (4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3', 5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2011-05-18 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural and Functional Analyses of the Second-Generation Integrase Strand Transfer Inhibitor Dolutegravir (S/GSK1349572). Mol.Pharmacol., 80, 2011
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3CR7
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4HXN
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![BU of 4hxn by Molmil](/molmil-images/mine/4hxn) | Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor | Descriptor: | 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4 | Authors: | Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C. | Deposit date: | 2012-11-12 | Release date: | 2013-04-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain. J.Med.Chem., 56, 2013
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3S4K
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4DEI
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![BU of 4dei by Molmil](/molmil-images/mine/4dei) | Crystal structure of c-Met in complex with triazolopyridinone inhibitor 24 | Descriptor: | 3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2012-01-20 | Release date: | 2012-05-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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