2WMG
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![BU of 2wmg by Molmil](/molmil-images/mine/2wmg) | Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae TIGR4 (Sp4GH98) in complex with the LewisY pentasaccharide blood group antigen. | Descriptor: | FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2009-06-30 | Release date: | 2009-07-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases. J.Biol.Chem., 284, 2009
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4MVW
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![BU of 4mvw by Molmil](/molmil-images/mine/4mvw) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MWE
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![BU of 4mwe by Molmil](/molmil-images/mine/4mwe) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475) | Descriptor: | 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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5QHW
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![BU of 5qhw by Molmil](/molmil-images/mine/5qhw) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000347a | Descriptor: | 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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4ZN7
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![BU of 4zn7 by Molmil](/molmil-images/mine/4zn7) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol | Descriptor: | DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.934 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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3ZLC
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![BU of 3zlc by Molmil](/molmil-images/mine/3zlc) | Crystal Structure of Erv41p | Descriptor: | ER-DERIVED VESICLES PROTEIN ERV41 | Authors: | Biterova, E.I, Svard, M, Possner, D.D.D, Guy, J.E. | Deposit date: | 2013-01-30 | Release date: | 2013-03-27 | Last modified: | 2013-06-12 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | The Crystal Structure of the Lumenal Domain of Erv41P, a Protein Involved in Transport between the Endoplasmic Reticulum and Golgi Apparatus J.Mol.Biol., 425, 2013
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4C0Z
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![BU of 4c0z by Molmil](/molmil-images/mine/4c0z) | The N-terminal domain of the Streptococcus pyogenes pilus tip adhesin Cpa | Descriptor: | ANCILLARY PROTEIN 2, CHLORIDE ION, GLYCEROL, ... | Authors: | Linke-Winnebeck, C, Paterson, N, Baker, E.N. | Deposit date: | 2013-08-08 | Release date: | 2013-11-20 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Model for the Covalent Adhesion of the Streptococcus Pyogenes Pilus Through a Thioester Bond. J.Biol.Chem., 289, 2014
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3OZ5
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![BU of 3oz5 by Molmil](/molmil-images/mine/3oz5) | S-Methyl Carbocyclic LNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(UMX)P*AP*CP*GP*C)-3'), SPERMINE | 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 (1.36 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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5O5G
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![BU of 5o5g by Molmil](/molmil-images/mine/5o5g) | Robo1 Ig1 to 4 crystal form 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Roundabout homolog 1 | Authors: | Aleksandrova, N, Gutsche, I, Kandiah, E, Avilov, S.V, Petoukhov, M.V, Seiradake, E, McCarthy, A.A. | Deposit date: | 2017-06-01 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Robo1 Forms a Compact Dimer-of-Dimers Assembly. Structure, 26, 2018
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5O8A
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![BU of 5o8a by Molmil](/molmil-images/mine/5o8a) | Crystal Structure of rsEGFP2 in the non-fluorescent off-state determined by SFX | Descriptor: | Green fluorescent protein | Authors: | Coquelle, N, Sliwa, M, Woodhouse, J, Schiro, G, Adam, V, Aquila, A, Barends, T.R.M, Boutet, S, Byrdin, M, Carbajo, S, De la Mora, E, Doak, R.B, Feliks, M, Fieschi, F, Foucar, L, Guillon, V, Hilpert, M, Hunter, M, Jakobs, S, Koglin, J.E, Kovacsova, G, Lane, T.J, Levy, B, Liang, M, Nass, K, Ridard, J, Robinson, J.S, Roome, C.M, Ruckebusch, C, Seaberg, M, Thepaut, M, Cammarata, M, Demachy, I, Field, M, Shoeman, R.L, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography. Nat Chem, 10, 2018
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4Z3S
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![BU of 4z3s by Molmil](/molmil-images/mine/4z3s) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with antibiotic A201A, mRNA and three tRNAs in the A, P and E sites at 2.65A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 3'-deoxy-3'-{[(2E)-3-(4-{[(4Z)-6-O-(6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranosyl)-5-O-methyl-alpha-D-threo-hex-4-enofuranosyl]oxy}phenyl)-2-methylprop-2-enoyl]amino}-N,N-dimethyladenosine, ... | Authors: | Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N. | Deposit date: | 2015-03-31 | Release date: | 2015-06-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A. Mol.Cell, 58, 2015
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4N1X
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![BU of 4n1x by Molmil](/molmil-images/mine/4n1x) | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G | Descriptor: | OPEN FORM - PENICILLIN G, Peptidoglycan glycosyltransferase | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | Deposit date: | 2013-10-04 | Release date: | 2013-10-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G To be Published
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4EON
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![BU of 4eon by Molmil](/molmil-images/mine/4eon) | Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306 | Descriptor: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOR
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![BU of 4eor by Molmil](/molmil-images/mine/4eor) | Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102 | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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1KUJ
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![BU of 1kuj by Molmil](/molmil-images/mine/1kuj) | Crystal structure of Jacalin complexed with 1-O-methyl-alpha-D-mannose | Descriptor: | JACALIN ALPHA CHAIN, JACALIN BETA CHAIN, methyl alpha-D-mannopyranoside | Authors: | Bourne, Y, Astoul, C.H, Zamboni, V, Peumans, W.J, Menu-Bouaouiche, L, Van Damme, E.J.M, Barre, A, Rouge, P. | Deposit date: | 2002-01-22 | Release date: | 2002-06-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the unusual carbohydrate-binding specificity of jacalin towards galactose and mannose. Biochem.J., 364, 2002
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3ZSF
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![BU of 3zsf by Molmil](/molmil-images/mine/3zsf) | Crystal structure of the L-cystine solute receptor of Neisseria gonorrhoeae in the unliganded open conformation | Descriptor: | ABC TRANSPORTER, PERIPLASMIC BINDING PROTEIN, AMINO ACID | Authors: | Bulut, H, Moniot, S, Scheffel, F, Gathmann, S, Licht, A, Saenger, W, Schneider, E. | Deposit date: | 2011-06-27 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae. J.Mol.Biol., 415, 2012
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4EQ5
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![BU of 4eq5 by Molmil](/molmil-images/mine/4eq5) | DNA ligase from the archaeon Thermococcus sibiricus | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase | Authors: | Petrova, T, Bezsudnova, E.Y, Dorokhov, B.D, Slutskaya, E.S, Polyakov, K.M, Dorovatovskiy, P.V, Ravin, N.V, Skryabin, K.G, Kovalchuk, M.V, Popov, V.O. | Deposit date: | 2012-04-18 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Expression, purification, crystallization and preliminary crystallographic analysis of a thermostable DNA ligase from the archaeon Thermococcus sibiricus. Acta Crystallogr.,Sect.F, 68, 2012
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3OID
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![BU of 3oid by Molmil](/molmil-images/mine/3oid) | Crystal Structure of Enoyl-ACP Reductases III (FabL) from B. subtilis (complex with NADP and TCL) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRICLOSAN | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | Deposit date: | 2010-08-19 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis J.Mol.Biol., 406, 2011
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1FY1
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![BU of 1fy1 by Molmil](/molmil-images/mine/1fy1) | [R23S,F25E]HBP, A MUTANT OF HUMAN HEPARIN BINDING PROTEIN (CAP37) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHANOL, ... | Authors: | Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E. | Deposit date: | 2000-09-28 | Release date: | 2001-09-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding. Proteins, 42, 2001
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2V91
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![BU of 2v91 by Molmil](/molmil-images/mine/2v91) | STRUCTURE OF STRICTOSIDINE SYNTHASE IN COMPLEX WITH STRICTOSIDINE | Descriptor: | METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE, STRICTOSIDINE SYNTHASE | Authors: | Loris, E.A, Panjikar, S, Ruppert, M, Barleben, L, Unger, M, Stoeckigt, J. | Deposit date: | 2007-08-16 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structure Based Engineering of Strictosidine Synthase: Auxiliary for Alkaloid Libraries Chem.Biol., 14, 2007
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2NX5
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![BU of 2nx5 by Molmil](/molmil-images/mine/2nx5) | Crystal structure of ELS4 TCR bound to HLA-B*3501 presenting EBV peptide EPLPQGQLTAY at 1.7A | Descriptor: | Beta-2-microglobulin, EBV peptide, EPLPQGQLTAY, ... | Authors: | Tynan, F.E, Reid, H.H, Rossjohn, J. | Deposit date: | 2006-11-16 | Release date: | 2007-02-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule Nat.Immunol., 8, 2007
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6DV6
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![BU of 6dv6 by Molmil](/molmil-images/mine/6dv6) | Structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG (residues 176-end) in the open gate state | Descriptor: | Protein InvG | Authors: | Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J. | Deposit date: | 2018-06-22 | Release date: | 2018-10-03 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin. Nat Commun, 9, 2018
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6N45
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![BU of 6n45 by Molmil](/molmil-images/mine/6n45) | |
6DD5
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![BU of 6dd5 by Molmil](/molmil-images/mine/6dd5) | Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein | Descriptor: | GLYCEROL, MMB-1 Cas6 Fused to Maltose Binding Protein,CRISPR-associated endonuclease Cas1, SULFATE ION, ... | Authors: | Stamos, J.L, Mohr, G, Silas, S, Makarova, K.S, Markham, L.M, Yao, J, Lucas-Elio, P, Sanchez-Amat, A, Fire, A.Z, Koonin, E.V, Lambowitz, A.M. | Deposit date: | 2018-05-09 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Reverse Transcriptase-Cas1 Fusion Protein Contains a Cas6 Domain Required for Both CRISPR RNA Biogenesis and RNA Spacer Acquisition. Mol. Cell, 72, 2018
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1KLI
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![BU of 1kli by Molmil](/molmil-images/mine/1kli) | Cofactor-and substrate-assisted activation of factor VIIa | Descriptor: | BENZAMIDINE, CALCIUM ION, GLYCEROL, ... | Authors: | Sichler, K, Banner, D.W, D'Arcy, A, Hopfner, K.P, Huber, R, Bode, W, Kresse, G.B, Kopetzki, E, Brandstetter, H. | Deposit date: | 2001-12-12 | Release date: | 2002-09-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal Structure of Uninhibited Factor VIIa Link its Cofactor and Substrate-assisted Activation to Specific Interactions J.Mol.Biol., 322, 2002
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