2RHO
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![BU of 2rho by Molmil](/molmil-images/mine/2rho) | Synthetic Gene Encoded Bacillus Subtilis FtsZ NCS Dimer with Bound GDP and GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell Division Protein ftsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | Deposit date: | 2007-10-09 | Release date: | 2008-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer. BMC Biotechnol., 9, 2009
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2RD1
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![BU of 2rd1 by Molmil](/molmil-images/mine/2rd1) | X-Ray structure of the protein Q7CQI7. Northeast Structural Genomics Consortium target StR87A | Descriptor: | Putative outer membrane lipoprotein | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Vorobiev, S.M, Wang, D, Fang, Y, Owens, L, Mao, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-20 | Release date: | 2007-10-09 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-Ray structure of the protein Q7CQI7. To be Published
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4FVJ
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2RHH
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![BU of 2rhh by Molmil](/molmil-images/mine/2rhh) | Synthetic Gene Encoded Bacillus Subtilis FtsZ with Bound Sulfate Ion | Descriptor: | Cell Division Protein ftsZ, SULFATE ION | Authors: | Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | Deposit date: | 2007-10-09 | Release date: | 2008-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer. BMC Biotechnol., 9, 2009
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2RHL
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![BU of 2rhl by Molmil](/molmil-images/mine/2rhl) | Synthetic Gene Encoded Bacillus Subtilis FtsZ NCS Dimer with Bound GDP | Descriptor: | Cell Division Protein ftsZ, GUANOSINE-5'-DIPHOSPHATE | Authors: | Lovell, S, Halloran, Z, Hjerrild, K, Sheridan, D, Burgin, A, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | Deposit date: | 2007-10-09 | Release date: | 2008-10-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer. BMC Biotechnol., 9, 2009
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2RIK
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![BU of 2rik by Molmil](/molmil-images/mine/2rik) | I-band fragment I67-I69 from titin | Descriptor: | Titin | Authors: | Marino, M, von Castelmur, E, Labeit, D, Labeit, S, Mayans, O. | Deposit date: | 2007-10-11 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A regular pattern of Ig super-motifs defines segmental flexibility as the elastic mechanism of the titin chain Proc.Natl.Acad.Sci.Usa, 105, 2008
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4GH4
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![BU of 4gh4 by Molmil](/molmil-images/mine/4gh4) | Crystal Structure of Foot and Mouth Disease Virus A22 Serotype | Descriptor: | capsid protein VP1, capsid protein VP2, capsid protein VP3, ... | Authors: | Kotecha, A, Jinshan, R, Curry, S, Fry, E, Stuart, D. | Deposit date: | 2012-08-07 | Release date: | 2013-02-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Perturbations in the surface structure of A22 Iraq foot-and-mouth disease virus accompanying coupled changes in host cell specificity and antigenicity. Structure, 4, 1996
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4GMB
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![BU of 4gmb by Molmil](/molmil-images/mine/4gmb) | Crystal structure of human WD repeat domain 5 with compound MM-402 | Descriptor: | MM-402, WD repeat-containing protein 5 | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | Deposit date: | 2012-08-15 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.781 Å) | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J.Med.Chem., 60, 2017
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2RKN
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![BU of 2rkn by Molmil](/molmil-images/mine/2rkn) | X-ray structure of the self-defense and signaling protein DIR1 from Arabidopsis taliana | Descriptor: | (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE, DIR1 protein, ZINC ION | Authors: | Lascombe, M.B, Prange, T, Buhot, N, Marion, D, Bakan, B, Lamb, C. | Deposit date: | 2007-10-17 | Release date: | 2008-09-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of "defective in induced resistance" protein of Arabidopsis thaliana, DIR1, reveals a new type of lipid transfer protein. Protein Sci., 17, 2008
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2SBA
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![BU of 2sba by Molmil](/molmil-images/mine/2sba) | SOYBEAN AGGLUTININ COMPLEXED WITH 2,6-PENTASACCHARIDE | Descriptor: | CALCIUM ION, Lectin, MANGANESE (II) ION, ... | Authors: | Dessen, A, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C. | Deposit date: | 1998-12-03 | Release date: | 1998-12-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray crystal structure of the soybean agglutinin cross-linked with a biantennary analog of the blood group I carbohydrate antigen. Biochemistry, 34, 1995
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7ZJP
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![BU of 7zjp by Molmil](/molmil-images/mine/7zjp) | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 | Descriptor: | 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, Transcriptional enhancer factor TEF-1 | Authors: | Freire, F, Heinrich, T, Petersson, C, Schneider, R, Garg, S, Schwarz, D, Gunera, J, Seshire, A, Koetzner, L, Schlesiger, S, Musil, D, Schilke, H, Doerfel, B, Diehl, P, Boepple, P, Lemos, A.R, Sousa, P.M.F, Freire, F, Bandeiras, T.M, Carswell, E, Pearson, N, Sirohi, S, Hooker, M, Trivier, E, Broome, R, Balsiger, A, Crowden, A, Dillon, C, Wienke, D. | Deposit date: | 2022-04-11 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 . J.Med.Chem., 65, 2022
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6XA9
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![BU of 6xa9 by Molmil](/molmil-images/mine/6xa9) | SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide | Descriptor: | GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ... | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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6XAA
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![BU of 6xaa by Molmil](/molmil-images/mine/6xaa) | SARS CoV-2 PLpro in complex with ubiquitin propargylamide | Descriptor: | Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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1VYI
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![BU of 1vyi by Molmil](/molmil-images/mine/1vyi) | Structure of the c-terminal domain of the polymerase cofactor of rabies virus: insights in function and evolution. | Descriptor: | GLYCEROL, RNA POLYMERASE ALPHA SUBUNIT | Authors: | Mavrakis, M, McCarthy, A.A, Roche, S, Blondel, D, Ruigrok, R.W.H. | Deposit date: | 2004-04-30 | Release date: | 2004-10-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and Function of the C-Terminal Domain of the Polymerase Cofactor of Rabies Virus J.Mol.Biol., 343, 2004
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6XPG
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![BU of 6xpg by Molmil](/molmil-images/mine/6xpg) | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography | Descriptor: | Lysophospholipase L1 | Authors: | Kim, Y, Sherrell, D.A, Owen, R, Axford, D, Ebrahim, A, Johnson, J, Welk, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2020-07-08 | Release date: | 2020-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography To Be Published
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6XTK
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![BU of 6xtk by Molmil](/molmil-images/mine/6xtk) | Y114C Transthyretin structure in complex with Tolcalpone | Descriptor: | Tolcapone, Transthyretin | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | Deposit date: | 2020-01-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis. Febs J., 288, 2021
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1W8U
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![BU of 1w8u by Molmil](/molmil-images/mine/1w8u) | CBM29-2 mutant D83A complexed with mannohexaose: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules | Descriptor: | NON CATALYTIC PROTEIN 1, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | Authors: | Flint, J, Bolam, D.N, Nurizzo, D, Taylor, E.J, Williamson, M.P, Walters, C, Davies, G.J, Gilbert, H.J. | Deposit date: | 2004-09-28 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Probing the Mechanism of Ligand Recognition in Family 29 Carbohydrate-Binding Modules J.Biol.Chem., 280, 2005
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1W9B
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![BU of 1w9b by Molmil](/molmil-images/mine/1w9b) | S. alba myrosinase in complex with carba-glucotropaeolin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBA-GLUCOTROPAEOLIN, ... | Authors: | Bourderioux, A, Lefoix, M, Gueyrard, D, Tatibouet, A, Cottaz, S, Arzt, S, Burmeister, W.P, Rollin, P. | Deposit date: | 2004-10-08 | Release date: | 2005-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The glucosinolate-myrosinase system. New insights into enzyme-substrate interactions by use of simplified inhibitors. Org. Biomol. Chem., 3, 2005
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6XV7
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![BU of 6xv7 by Molmil](/molmil-images/mine/6xv7) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-01-21 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.668 Å) | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
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1W4L
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![BU of 1w4l by Molmil](/molmil-images/mine/1w4l) | Complex of TcAChE with bis-acting galanthamine derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-07-25 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J.Am.Chem.Soc., 126, 2004
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1W5O
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![BU of 1w5o by Molmil](/molmil-images/mine/1w5o) | Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C, D131C and D139C) | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D. | Deposit date: | 2004-08-09 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro J.Mol.Biol., 345, 2005
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1W6R
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![BU of 1w6r by Molmil](/molmil-images/mine/1w6r) | Complex of TcAChE with galanthamine derivative | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-08-23 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J.Am.Chem.Soc., 126, 2004
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6XGW
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![BU of 6xgw by Molmil](/molmil-images/mine/6xgw) | ISCth4 transposase, pre-reaction complex, PRC | Descriptor: | DNA (32-MER), Mutator family transposase | Authors: | Kosek, D, Dyda, F. | Deposit date: | 2020-06-18 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structures of ISCth4 transpososomes reveal the role of asymmetry in copy-out/paste-in DNA transposition. Embo J., 40, 2021
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6XI0
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![BU of 6xi0 by Molmil](/molmil-images/mine/6xi0) | R. capsulatus cyt bc1 (CIII2) at 3.3A | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-19 | Release date: | 2020-12-30 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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1W4Y
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![BU of 1w4y by Molmil](/molmil-images/mine/1w4y) | Ferrous horseradish peroxidase C1A in complex with carbon monoxide | Descriptor: | CALCIUM ION, CARBON MONOXIDE, HORSERADISH PEROXIDASE C1A, ... | Authors: | Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J. | Deposit date: | 2004-08-03 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry, 44, 2005
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