4BAC
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![BU of 4bac by Molmil](/molmil-images/mine/4bac) | prototype foamy virus strand transfer complexes on product DNA | Descriptor: | 5'-D(*AP*GP*GP*AP*GP*CP*CP*AP*AP*GP*AP*CP*GP*GP *AP*TP*CP)-3', 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP *TP*TP*GP*TP*AP)-3', DNA (38-MER), ... | Authors: | Yin, Z, Lapkouski, M, Yang, W, Craigie, R. | Deposit date: | 2012-09-12 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.263 Å) | Cite: | Assembly of Prototype Foamy Virus Strand Transfer Complexes on Product DNA Bypassing Catalysis of Integration. Protein Sci., 21, 2012
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4BDD
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![BU of 4bdd by Molmil](/molmil-images/mine/4bdd) | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | Descriptor: | 1,2-ETHANEDIOL, 1-(TERT-BUTYL)-3-(QUINOXALIN-6-YL)UREA, NITRATE ION, ... | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | Deposit date: | 2012-10-05 | Release date: | 2013-06-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013
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4AXS
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![BU of 4axs by Molmil](/molmil-images/mine/4axs) | Structure of Carbamate Kinase from Mycoplasma penetrans | Descriptor: | CARBAMATE KINASE, SULFATE ION | Authors: | Gallego, P, Planell, R, Benach, J, Querol, E, PerezPons, J.A, Reverter, D. | Deposit date: | 2012-06-14 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma Penetrans. Plos One, 7, 2012
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4AY7
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![BU of 4ay7 by Molmil](/molmil-images/mine/4ay7) | methyltransferase from Methanosarcina mazei | Descriptor: | MAGNESIUM ION, METHYLCOBALAMIN: COENZYME M METHYLTRANSFERASE, ZINC ION | Authors: | Hoeppner, A, Thomas, F, Rueppel, A, Hensel, R, Blankenfeld, W, Bayer, P, Faust, A. | Deposit date: | 2012-06-18 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Corrinoid:Coenzyme M Methyltransferase Mtaa from Methanosarcina Mazei Acta Crystallogr.,Sect.D, 68, 2012
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4B0G
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![BU of 4b0g by Molmil](/molmil-images/mine/4b0g) | Complex of Aurora-A bound to an Imidazopyridine-based inhibitor | Descriptor: | 6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | Authors: | Kosmopoulou, M, Bayliss, R. | Deposit date: | 2012-07-02 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Optimization of Imidazo[4,5-B]Pyridine-Based Kinase Inhibitors: Identification of a Dual Flt3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical Development Candidate for the Treatment of Acute Myeloid Leukemia. J.Med.Chem., 55, 2012
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4BG4
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![BU of 4bg4 by Molmil](/molmil-images/mine/4bg4) | Crystal structure of Litopenaeus vannamei arginine kinase in a ternary analog complex with arginine, ADP-Mg and NO3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, ARGININE KINASE, ... | Authors: | Lopez-Zavala, A.A, Garcia-Orozco, K.D, Carrasco-Miranda, J.S, Sugich-Miranda, R, Velazquez-Contreras, E.F, Criscitiello, M.F, GBrieba, L, Rudino-Pinera, E, Sotelo-Mundo, R.R. | Deposit date: | 2013-03-22 | Release date: | 2013-09-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Crystal Structure of Shrimp Arginine Kinase in Binary Complex with Arginine-A Molecular View of the Phosphagen Precursor Binding to the Enzyme. J.Bioenerg.Biomembr., 45, 2013
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6JKM
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![BU of 6jkm by Molmil](/molmil-images/mine/6jkm) | Crystal structure of BubR1 kinase domain | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X. | Deposit date: | 2019-03-01 | Release date: | 2019-06-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules. Cell Res., 29, 2019
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4B9E
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![BU of 4b9e by Molmil](/molmil-images/mine/4b9e) | Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa, with bound MFA. | Descriptor: | GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ... | Authors: | Schmidberger, J.W, Schnell, R, Schneider, G. | Deposit date: | 2012-09-04 | Release date: | 2013-02-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery. Acta Crystallogr.,Sect.F, 69, 2013
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4BEB
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![BU of 4beb by Molmil](/molmil-images/mine/4beb) | MUTANT (K220E) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TYPE I RESTRICTION ENZYME HSDR | Authors: | Csefalvay, E, Lapkouski, M, Guzanova, A, Csefalvay, L, Baikova, T, Shevelev, I, Janscak, P, Smatanova, I.K, Panjikar, S, Carey, J, Weiserova, M, Ettrich, R. | Deposit date: | 2013-03-07 | Release date: | 2014-03-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.989 Å) | Cite: | Functional Coupling of Duplex Translocation to DNA Cleavage in a Type I Restriction Enzyme. Plos One, 10, 2015
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4B3U
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![BU of 4b3u by Molmil](/molmil-images/mine/4b3u) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-07-26 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4B4D
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![BU of 4b4d by Molmil](/molmil-images/mine/4b4d) | Crystal structure of FAD-containing ferredoxin-NADP reductase from Xanthomonas axonopodis pv. citri | Descriptor: | CHLORIDE ION, FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Martinez-Julvez, M, Orellano, E.G, Tondo, M.L, Hurtado-Guerrero, R, Medina, M, Ceccarelli, E.A, Sanchez-Azqueta, A. | Deposit date: | 2012-07-30 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Fad-Containing Ferredoxin- Nadp Reductase from Xanthomonas Axonopodis Pv. Citri Biomed Res Int, 2013, 2013
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4B5C
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![BU of 4b5c by Molmil](/molmil-images/mine/4b5c) | Crystal structure of the peptidoglycan-associated lipoprotein from Burkholderia pseudomallei | Descriptor: | ACETATE ION, PUTATIVE OMPA FAMILY LIPOPROTEIN | Authors: | Gourlay, L.J, Peri, C, Conchillo-Sole, O, Ferrer-Navarro, M, Gori, A, Longhi, R, Rinchai, D, Lertmemongkolchai, G, Lassaux, P, Daura, X, Colombo, G, Bolognesi, M. | Deposit date: | 2012-08-03 | Release date: | 2013-08-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploiting the Burkholderia Pseudomallei Acute Phase Antigen Bpsl2765 for Structure-Based Epitope Discovery/Design in Structural Vaccinology. Chem.Biool., 20, 2013
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6JEC
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![BU of 6jec by Molmil](/molmil-images/mine/6jec) | |
3ZFO
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![BU of 3zfo by Molmil](/molmil-images/mine/3zfo) | Crystal structure of substrate-like, unprocessed N-terminal protease Npro mutant S169P | Descriptor: | CHLORIDE ION, HYDROXIDE ION, MONOTHIOGLYCEROL, ... | Authors: | Zogg, T, Sponring, M, Schindler, S, Koll, M, Schneider, R, Brandstetter, H, Auer, B. | Deposit date: | 2012-12-12 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal Structures of the Viral Protease Npro Imply Distinct Roles for the Catalytic Water in Catalysis Structure, 21, 2013
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6JKL
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![BU of 6jkl by Molmil](/molmil-images/mine/6jkl) | |
6JKQ
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![BU of 6jkq by Molmil](/molmil-images/mine/6jkq) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi (Ligand-free form) | Descriptor: | Aspartate carbamoyltransferase | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-01 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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3ZN1
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![BU of 3zn1 by Molmil](/molmil-images/mine/3zn1) | LSD1-CoREST in complex with PRLYLV peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ... | Authors: | Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A. | Deposit date: | 2013-02-13 | Release date: | 2013-06-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase. Acs Chem.Biol., 8, 2013
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6JL6
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![BU of 6jl6 by Molmil](/molmil-images/mine/6jl6) | Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with phosphate (Pi). | Descriptor: | ASPARTIC ACID, Aspartate carbamoyltransferase, PHOSPHATE ION | Authors: | Matoba, K, Shiba, T, Nara, T, Aoki, T, Nagasaki, S, Hayamizu, R, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Balogun, E.O, Inaoka, D.K, Kita, K, Harada, S. | Deposit date: | 2019-03-04 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic snapshots of Trypanosoma cruzi aspartate transcarbamoylase
revealed an ordered Bi-Bi reaction mechanism To Be Published
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3ZCD
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![BU of 3zcd by Molmil](/molmil-images/mine/3zcd) | |
6JOO
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![BU of 6joo by Molmil](/molmil-images/mine/6joo) | Crystal structure of Corynebacterium diphtheriae Cas9 in complex with sgRNA and target DNA | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated protein,CRISPR-associated endonuclease Cas9, Guide RNA, ... | Authors: | Hirano, S, Ishitani, R, Nishimasu, H, Nureki, O. | Deposit date: | 2019-03-22 | Release date: | 2019-04-17 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for the promiscuous PAM recognition by Corynebacterium diphtheriae Cas9. Nat Commun, 10, 2019
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1UWP
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![BU of 1uwp by Molmil](/molmil-images/mine/1uwp) | |
3ZL5
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![BU of 3zl5 by Molmil](/molmil-images/mine/3zl5) | Crystal structure of Schistosoma mansoni Peroxiredoxin I C48S mutant with one decamer in the ASU | Descriptor: | DI(HYDROXYETHYL)ETHER, PEROXIREDOXIN I, SULFATE ION | Authors: | Saccoccia, F, Angelucci, F, Ardini, M, Boumis, G, Brunori, M, DiLeandro, L, Ippoliti, R, Miele, A.E, Natoli, G, Scotti, S, Bellelli, A. | Deposit date: | 2013-01-28 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis J.Mol.Biol., 425, 2013
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4MIJ
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![BU of 4mij by Molmil](/molmil-images/mine/4mij) | Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, TRAP dicarboxylate transporter, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-08-31 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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6K0P
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![BU of 6k0p by Molmil](/molmil-images/mine/6k0p) | Catalytic domain of GH87 alpha-1,3-glucanase D1045A in complex with nigerose | Descriptor: | ACETIC ACID, Alpha-1,3-glucanase, CALCIUM ION, ... | Authors: | Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T. | Deposit date: | 2019-05-07 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.424 Å) | Cite: | Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11. Febs J., 287, 2020
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6K0N
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![BU of 6k0n by Molmil](/molmil-images/mine/6k0n) | Catalytic domain of GH87 alpha-1,3-glucanase in complex with nigerose | Descriptor: | ACETIC ACID, Alpha-1,3-glucanase, CALCIUM ION, ... | Authors: | Itoh, T, Intuy, R, Suyotha, W, Hayashi, J, Yano, S, Makabe, K, Wakayama, M, Hibi, T. | Deposit date: | 2019-05-07 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into substrate recognition and catalysis by glycoside hydrolase family 87 alpha-1,3-glucanase from Paenibacillus glycanilyticus FH11. Febs J., 287, 2020
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