1VLM
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2Y5H
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![BU of 2y5h by Molmil](/molmil-images/mine/2y5h) | FACTOR XA - CATION INHIBITOR COMPLEX | Descriptor: | 3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Banner, D.W, Salonen, L.M, Holland, M.C, Haap, W, Benz, J, Diederich, F. | Deposit date: | 2011-01-13 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Molecular Recognition at the Active Site of Factor Xa: Cation-Pi Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water. Chemistry, 18, 2012
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4EZ2
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2Y2H
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![BU of 2y2h by Molmil](/molmil-images/mine/2y2h) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA2) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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3GZ5
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![BU of 3gz5 by Molmil](/molmil-images/mine/3gz5) | Crystal structure of Shewanella oneidensis NrtR | Descriptor: | MutT/nudix family protein, SODIUM ION | Authors: | Huang, N, Zhang, H. | Deposit date: | 2009-04-06 | Release date: | 2009-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism Structure, 17, 2009
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4OLF
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4OIC
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![BU of 4oic by Molmil](/molmil-images/mine/4oic) | Crystal structrual of a soluble protein | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Bet v I allergen-like, CHLORIDE ION, ... | Authors: | He, Y, Hao, Q, Li, W, Yan, C, Yan, N, Yin, P. | Deposit date: | 2014-01-19 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Identification and characterization of ABA receptors in Oryza sativa Plos One, 9, 2014
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3H7C
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![BU of 3h7c by Molmil](/molmil-images/mine/3h7c) | Crystal Structure of Arabidopsis thaliana Agmatine Deiminase from Cell Free Expression | Descriptor: | 2,2',2''-NITRILOTRIETHANOL, Agmatine deiminase, CHLORIDE ION, ... | Authors: | Burgie, E.S, Bingman, C.A, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2009-04-24 | Release date: | 2009-05-26 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Insights into the Catalytic Mechanism of Arabidopsis thaliana Agmatine Deiminase To be Published
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3E9L
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![BU of 3e9l by Molmil](/molmil-images/mine/3e9l) | Crystal Structure of Human Prp8, Residues 1755-2016 | Descriptor: | CHLORIDE ION, Pre-mRNA-processing-splicing factor 8, SODIUM ION | Authors: | Pena, V, Rozov, A, Wahl, M.C. | Deposit date: | 2008-08-22 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and function of an RNase H domain at the heart of the spliceosome. Embo J., 27, 2008
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3EGK
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![BU of 3egk by Molmil](/molmil-images/mine/3egk) | KNOBLE Inhibitor | Descriptor: | Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... | Authors: | Baum, B, Heine, A, Klebe, G, Muenzel, M. | Deposit date: | 2008-09-10 | Release date: | 2008-09-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding Angew.Chem.Int.Ed.Engl., 46, 2007
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2XKL
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![BU of 2xkl by Molmil](/molmil-images/mine/2xkl) | Crystal Structure of Mouse Apolipoprotein M | Descriptor: | 1,2-ETHANEDIOL, APOLIPOPROTEIN M, GLYCEROL, ... | Authors: | Sevvana, M, Kassler, K, Josefin, A, Weiler, S, Dahlback, B, Sticht, H, Muller, Y.A. | Deposit date: | 2010-07-09 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mouse Apom Displays an Unprecedented Seven-Stranded Lipocalin Fold: Folding Decoy or Alternative Native Fold? J.Mol.Biol., 404, 2010
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2XXR
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![BU of 2xxr by Molmil](/molmil-images/mine/2xxr) | Crystal structure of the GluK2 (GluR6) wild-type LBD dimer in complex with glutamate | Descriptor: | CHLORIDE ION, GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2010-11-11 | Release date: | 2011-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization J.Neurosci., 31, 2011
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2XYQ
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![BU of 2xyq by Molmil](/molmil-images/mine/2xyq) | Crystal structure of the nsp16 nsp10 SARS coronavirus complex | Descriptor: | CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ... | Authors: | Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B. | Deposit date: | 2010-11-18 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex. Plos Pathog., 7, 2011
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1XAR
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![BU of 1xar by Molmil](/molmil-images/mine/1xar) | Crystal Structure of a fragment of DC-SIGNR (containing the carbohydrate recognition domain and two repeats of the neck). | Descriptor: | CD209 antigen-like protein 1, SODIUM ION | Authors: | Feinberg, H, Guo, Y, Mitchell, D.A, Drickamer, K, Weis, W.I. | Deposit date: | 2004-08-26 | Release date: | 2004-11-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Extended Neck Regions Stabilize Tetramers of the Receptors DC-SIGN and DC-SIGNR J.Biol.Chem., 280, 2005
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2XVY
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![BU of 2xvy by Molmil](/molmil-images/mine/2xvy) | Cobalt chelatase CbiK (periplasmic) from Desulvobrio vulgaris Hildenborough (co-crystallised with cobalt and SHC) | Descriptor: | CHELATASE, PUTATIVE, COBALT (II) ION, ... | Authors: | Romao, C.V, Lobo, S.A.L, Carrondo, M.A, Saraiva, L.M, Matias, P.M. | Deposit date: | 2010-10-28 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Desulfovibrio vulgaris CbiK(P) cobaltochelatase: evolution of a haem binding protein orchestrated by the incorporation of two histidine residues. Environ. Microbiol., 19, 2017
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2XXT
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![BU of 2xxt by Molmil](/molmil-images/mine/2xxt) | Crystal structure of the GluK2 (GluR6) wild-type LBD dimer in complex with kainate | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2010-11-12 | Release date: | 2011-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization J.Neurosci., 31, 2011
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3ERP
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![BU of 3erp by Molmil](/molmil-images/mine/3erp) | Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium | Descriptor: | 1,2-ETHANEDIOL, CACODYLATE ION, CHLORIDE ION, ... | Authors: | Singer, A.U, Minasov, G, Evdokimova, E, Brunzelle, J.S, Kudritska, M, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-10-02 | Release date: | 2008-11-04 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and biochemical studies of novel aldo-keto reductases for the biocatalytic conversion of 3-hydroxybutanal to 1,3-butanediol. Appl.Environ.Microbiol., 2017
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3E85
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![BU of 3e85 by Molmil](/molmil-images/mine/3e85) | Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Diphenylurea | Descriptor: | 1,3-DIPHENYLUREA, PR10.2B, SODIUM ION | Authors: | Fernandes, H.C, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M. | Deposit date: | 2008-08-19 | Release date: | 2009-03-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cytokinin-induced structural adaptability of a Lupinus luteus PR-10 protein. Febs J., 276, 2009
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3EUW
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1TKP
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![BU of 1tkp by Molmil](/molmil-images/mine/1tkp) | Iron-oxo clusters biomineralizing on protein surfaces. Structural analysis of H.salinarum DpsA in its low and high iron states | Descriptor: | FE (III) ION, Iron-rich dpsA-homolog protein, SODIUM ION, ... | Authors: | Zeth, K, Offermann, S, Essen, L.O, Oesterhelt, D. | Deposit date: | 2004-06-09 | Release date: | 2004-10-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Iron-oxo clusters biomineralizing on protein surfaces: structural analysis of Halobacterium salinarum DpsA in its low- and high-iron states. Proc.Natl.Acad.Sci.USA, 101, 2004
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2Y5G
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![BU of 2y5g by Molmil](/molmil-images/mine/2y5g) | FACTOR XA - CATION INHIBITOR COMPLEX | Descriptor: | 3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Banner, D.W, Salonen, L.M, Holland, M.C, Haap, W, Benz, J, Diederich, F. | Deposit date: | 2011-01-13 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Molecular Recognition at the Active Site of Factor Xa: Cation-Pi Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water. Chemistry, 18, 2012
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2XYN
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![BU of 2xyn by Molmil](/molmil-images/mine/2xyn) | HUMAN ABL2 IN COMPLEX WITH AURORA KINASE INHIBITOR VX-680 | Descriptor: | CHLORIDE ION, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, SODIUM ION, ... | Authors: | Salah, E, Ugochukwu, E, Elkins, J.M, Barr, A.J, Shrestha, B, Savitsky, P, Mahajan, P, Muniz, J.R.C, Yue, W.W, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-18 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal Structures of Abl-Related Gene (Abl2) in Complex with Imatinib, Tozasertib (Vx-680), and a Type I Inhibitor of the Triazole Carbothioamide Class. J.Med.Chem., 54, 2011
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2YC3
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![BU of 2yc3 by Molmil](/molmil-images/mine/2yc3) | Inhibitors of the herbicidal target IspD | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ... | Authors: | Hoeffken, H.W. | Deposit date: | 2011-03-11 | Release date: | 2011-08-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding. Angew.Chem.Int.Ed.Engl., 50, 2011
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3HBZ
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3GOD
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![BU of 3god by Molmil](/molmil-images/mine/3god) | |