4PVN
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![BU of 4pvn by Molmil](/molmil-images/mine/4pvn) | Neutron structure of human transthyretin (TTR) at room temperature to 2.3A resolution (monochromatic) | Descriptor: | Transthyretin | Authors: | Fisher, S.J, Blakeley, M.P, Haupt, M, Mason, S.A, Cooper, J.B, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2014-03-18 | Release date: | 2014-11-12 | Last modified: | 2024-03-20 | Method: | NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION | Cite: | Binding site asymmetry in human transthyretin: insights from a joint neutron and X-ray crystallographic analysis using perdeuterated protein IUCrJ, 1, 2014
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4Q1K
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4Q1J
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![BU of 4q1j by Molmil](/molmil-images/mine/4q1j) | Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-branching | Descriptor: | 1,2-ETHANEDIOL, Polyketide biosynthesis enoyl-CoA isomerase PksI, SODIUM ION | Authors: | Nair, A.V, Race, P.R, Till, M. | Deposit date: | 2014-04-03 | Release date: | 2015-05-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure and mechanism of a dehydratase/decarboxylase enzyme couple involved in polyketide beta-methyl branch incorporation. Sci Rep, 10, 2020
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4Q22
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![BU of 4q22 by Molmil](/molmil-images/mine/4q22) | Crystal structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine at 1.93 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | Authors: | Kushwaha, G.S, Madhuprakash, J, Singh, A, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Podile, A.R, Singh, T.P. | Deposit date: | 2014-04-05 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine at 1.93 Angstrom resolution To be Published
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4Q2H
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![BU of 4q2h by Molmil](/molmil-images/mine/4q2h) | Crystal structure of probable proline racemase from agrobacterium radiobacter K84, TARGET EFI-506561, with bound carbonate | Descriptor: | BICARBONATE ION, GLYCEROL, Proline racemase protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-08 | Release date: | 2014-04-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Proline Racemase Arad_0731 from Agrobacterium Radiobacter, Target Efi-506561 To be Published
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4Q39
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![BU of 4q39 by Molmil](/molmil-images/mine/4q39) | PylD in complex with pyrrolysine and NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2014-04-11 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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4Q4H
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![BU of 4q4h by Molmil](/molmil-images/mine/4q4h) | TM287/288 in its apo state | Descriptor: | ABC transporter, Uncharacterized ABC transporter ATP-binding protein TM_0288 | Authors: | Hohl, M, Gruetter, M.G, Seeger, M.A. | Deposit date: | 2014-04-14 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.527 Å) | Cite: | Structural basis for allosteric cross-talk between the asymmetric nucleotide binding sites of a heterodimeric ABC exporter. Proc.Natl.Acad.Sci.USA, 111, 2014
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4Q5Y
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![BU of 4q5y by Molmil](/molmil-images/mine/4q5y) | Crystal structure of extended-Tudor 10-11 of Drosophila melanogaster | Descriptor: | Maternal protein tudor | Authors: | Liu, H, Ren, R, Wang, W, Wang, M, Yang, N, Dong, Y, Gong, W, Lehmann, R, Xu, R.M. | Deposit date: | 2014-04-18 | Release date: | 2014-05-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and domain organization of Drosophila Tudor Cell Res., 24, 2014
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4Q8O
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![BU of 4q8o by Molmil](/molmil-images/mine/4q8o) | tRNA-Guanine Transglycosylase (TGT) Mutant V262T in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Neeb, M, Heine, A, Klebe, G. | Deposit date: | 2014-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.887 Å) | Cite: | Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents To be Published
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4Q7F
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![BU of 4q7f by Molmil](/molmil-images/mine/4q7f) | 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine. | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5' nucleotidase family protein, MAGNESIUM ION, ... | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-04-24 | Release date: | 2014-05-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | 1.98 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with Adenosine. TO BE PUBLISHED
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3V2A
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![BU of 3v2a by Molmil](/molmil-images/mine/3v2a) | VEGFR-2/VEGF-A COMPLEX STRUCTURE | Descriptor: | Vascular endothelial growth factor A, Vascular endothelial growth factor receptor 2 | Authors: | Brozzo, M.S, Leppanen, V.-M, Winkler, F.K, Ballmer-Hofer, K. | Deposit date: | 2011-12-12 | Release date: | 2012-01-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.204 Å) | Cite: | Thermodynamic and structural description of allosterically regulated VEGFR-2 dimerization. Blood, 119, 2012
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4Q8P
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![BU of 4q8p by Molmil](/molmil-images/mine/4q8p) | tRNA-Guanine Transglycosylase (TGT) Mutant V262D in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Neeb, M, Heine, A, Klebe, G. | Deposit date: | 2014-04-28 | Release date: | 2015-05-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Creating a Resistance Model for TGT: The Effect of Mutations on Flexible lin-Benzoguanine Substituents To be Published
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4Q9P
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4QC4
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4QD2
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![BU of 4qd2 by Molmil](/molmil-images/mine/4qd2) | Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex | Descriptor: | CALCIUM ION, Cadherin-1, Hemagglutinin component HA17, ... | Authors: | Lee, K, Zhong, X, Gu, S, Kruel, A, Dorner, M.B, Perry, K, Rummel, A, Dong, M, Jin, R. | Deposit date: | 2014-05-13 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex. Science, 344, 2014
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4QHJ
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![BU of 4qhj by Molmil](/molmil-images/mine/4qhj) | Crystal structure of Methanocaldococcus jannaschii selecase mutant I100F+H107F | Descriptor: | ACETATE ION, GLYCEROL, Uncharacterized protein MJ1213, ... | Authors: | Lopez-pelegrin, M, Cerda-costa, N, Cintas-pedrola, A, Herranz-trillo, F, Bernado, P, Peinado, J.R, Arolas, J.L, Gomis-ruth, F.X. | Deposit date: | 2014-05-28 | Release date: | 2014-07-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase Angew.Chem.Int.Ed.Engl., 53, 2014
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3TE7
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![BU of 3te7 by Molmil](/molmil-images/mine/3te7) | Quinone Oxidoreductase (NQ02) bound to the imidazoacridin-6-one 5a1 | Descriptor: | 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | Authors: | Dunstan, M.S. | Deposit date: | 2011-08-12 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel Inhibitors of NRH:Quinone Oxidoreductase 2 (NQO2): Crystal Structures, Biochemical Activity, and Intracellular Effects of Imidazoacridin-6-ones. J.Med.Chem., 54, 2011
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4QKR
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4NEL
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![BU of 4nel by Molmil](/molmil-images/mine/4nel) | Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with N,N-dimethylmethanamine | Descriptor: | N,N-dimethylmethanamine, Transcriptional regulator | Authors: | Halavaty, A.S, Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Endres, M, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-10-29 | Release date: | 2013-12-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of a putative transcriptional regulator from Saccharomonospora viridis in complex with N,N-dimethylmethanamine To be Published
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4NHW
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![BU of 4nhw by Molmil](/molmil-images/mine/4nhw) | Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target EFI-507275, with one glutathione bound per one protein subunit | Descriptor: | GLUTATHIONE, Glutathione S-transferase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-11-05 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of glutathione transferase SMc00097 from Sinorhizobium meliloti, target EFI-507275 To be Published
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4NKG
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![BU of 4nkg by Molmil](/molmil-images/mine/4nkg) | Crystal structure of SspH1 LRR domain in complex PKN1 HR1b domain | Descriptor: | E3 ubiquitin-protein ligase sspH1, HEXANE-1,6-DIOL, Serine/threonine-protein kinase N1 | Authors: | Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F. | Deposit date: | 2013-11-12 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase. Mol.Cell.Biol., 34, 2014
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4NO1
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![BU of 4no1 by Molmil](/molmil-images/mine/4no1) | yCP in complex with Z-Leu-Leu-Leu-B(OH)2 | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | Deposit date: | 2013-11-19 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NC2
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![BU of 4nc2 by Molmil](/molmil-images/mine/4nc2) | Crystal structure of TcdB-B1 bound to B39 VHH | Descriptor: | B39 VHH, Toxin B | Authors: | Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S. | Deposit date: | 2013-10-23 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile. J.Biol.Chem., 289, 2014
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5WS5
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![BU of 5ws5 by Molmil](/molmil-images/mine/5ws5) | Native XFEL structure of photosystem II (preflash dark dataset) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-12-05 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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4NOF
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![BU of 4nof by Molmil](/molmil-images/mine/4nof) | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Polymeric immunoglobulin receptor | Authors: | Sampathkumar, P, Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor to be published
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