1URW
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![BU of 1urw by Molmil](/molmil-images/mine/1urw) | CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE | Descriptor: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-, CELL DIVISION PROTEIN KINASE 2 | Authors: | Byth, K.F, Cooper, N, Culshaw, J.D, Heaton, D.W, Oakes, S.E, Minshull, C.A, Norman, R.A, Pauptit, R.A, Tucker, J.A, Breed, J, Pannifer, A, Rowsell, S, Stanway, J.J, Valentine, A.L, Thomas, A.P. | Deposit date: | 2003-11-11 | Release date: | 2004-04-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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5E93
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![BU of 5e93 by Molmil](/molmil-images/mine/5e93) | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071 | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ... | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | Deposit date: | 2015-10-14 | Release date: | 2016-10-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity To be Published
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5WCV
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1U3C
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![BU of 1u3c by Molmil](/molmil-images/mine/1u3c) | Crystal Structure of the PHR domain of Cryptochrome 1 from Arabidopsis thaliana | Descriptor: | CHLORIDE ION, Cryptochrome 1 apoprotein, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ... | Authors: | Brautigam, C.A, Smith, B.S, Ma, Z, Palnitkar, M, Tomchick, D.R, Machius, M, Deisenhofer, J. | Deposit date: | 2004-07-21 | Release date: | 2004-08-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the photolyase-like domain of cryptochrome 1 from Arabidopsis thaliana. Proc.Natl.Acad.Sci.USA, 101, 2004
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5XF3
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![BU of 5xf3 by Molmil](/molmil-images/mine/5xf3) | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,R-configuration) | Descriptor: | (1R,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2017-04-07 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation Nat Commun, 8, 2017
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2XRP
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![BU of 2xrp by Molmil](/molmil-images/mine/2xrp) | Human Doublecortin N-DC Repeat (1MJD) and Mammalian Tubulin (1JFF and 3HKE) Docked into the 8-Angstrom Cryo-EM Map of Doublecortin- Stabilised Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, NEURONAL MIGRATION PROTEIN DOUBLECORTIN, ... | Authors: | Fourniol, F.J, Sindelar, C.V, Amigues, B, Clare, D.K, Thomas, G, Perderiset, M, Francis, F, Houdusse, A, Moores, C.A. | Deposit date: | 2010-09-18 | Release date: | 2010-11-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.2 Å) | Cite: | Template-Free 13-Protofilament Microtubule-Map Assembly Visualized at 8 A Resolution. J.Cell Biol., 191, 2010
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2VJE
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![BU of 2vje by Molmil](/molmil-images/mine/2vje) | Crystal Structure of the MDM2-MDMX RING Domain Heterodimer | Descriptor: | CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ... | Authors: | Mace, P.D, Linke, K, Smith, C.A, Day, C.L. | Deposit date: | 2007-12-10 | Release date: | 2008-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the MDM2/MDMX RING domain heterodimer reveals dimerization is required for their ubiquitylation in trans. Cell Death Differ., 15, 2008
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2V51
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![BU of 2v51 by Molmil](/molmil-images/mine/2v51) | Structure of MAL-RPEL1 complexed to actin | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mouilleron, S, Guettler, S, Langer, C.A, Treisman, R, McDonald, N.Q. | Deposit date: | 2008-10-01 | Release date: | 2008-11-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular basis for G-actin binding to RPEL motifs from the serum response factor coactivator MAL. EMBO J., 27, 2008
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5XF5
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![BU of 5xf5 by Molmil](/molmil-images/mine/5xf5) | Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (R,S-configuration) | Descriptor: | (1S,2R)-1,2-diphenylethane-1,2-diamine, DNA (145-MER), Histone H2A type 1-B/E, ... | Authors: | Ma, Z, Adhireksan, Z, Murray, B.S, Dyson, P.J, Davey, C.A. | Deposit date: | 2017-04-07 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation Nat Commun, 8, 2017
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1TOA
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![BU of 1toa by Molmil](/molmil-images/mine/1toa) | PERIPLASMIC ZINC BINDING PROTEIN TROA FROM TREPONEMA PALLIDUM | Descriptor: | GLYCEROL, PROTEIN (PERIPLASMIC BINDING PROTEIN TROA), ZINC ION | Authors: | Lee, Y.H, Deka, R.K, Norgard, M.V, Radolf, J.D, Hasemann, C.A. | Deposit date: | 1999-03-03 | Release date: | 1999-07-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Treponema pallidum TroA is a periplasmic zinc-binding protein with a helical backbone. Nat.Struct.Biol., 6, 1999
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1DIE
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![BU of 1die by Molmil](/molmil-images/mine/1die) | OBSERVATIONS OF REACTION INTERMEDIATES AND THE MECHANISM OF ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE | Descriptor: | 1-DEOXYNOJIRIMYCIN, D-XYLOSE ISOMERASE, MAGNESIUM ION | Authors: | Collyer, C.A, Viehmann, H, Goldberg, J.D, Blow, D.M. | Deposit date: | 1992-06-04 | Release date: | 1993-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Observations of reaction intermediates and the mechanism of aldose-ketose interconversion by D-xylose isomerase. Proc.Natl.Acad.Sci.USA, 87, 1990
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1TSU
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![BU of 1tsu by Molmil](/molmil-images/mine/1tsu) | CRYSTAL STRUCTURE OF DECAMER NCP1 SUBSTRATE PEPTIDE IN COMPLEX WITH WILD-TYPE D25N HIV-1 PROTEASE VARIANT | Descriptor: | NC-P1 SUBSTRATE PEPTIDE, Pol polyprotein | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | Deposit date: | 2004-06-21 | Release date: | 2005-03-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease J.Virol., 78, 2004
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1TS3
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![BU of 1ts3 by Molmil](/molmil-images/mine/1ts3) | H135A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS | Descriptor: | TOXIC SHOCK SYNDROME TOXIN-1 | Authors: | Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H. | Deposit date: | 1997-10-10 | Release date: | 1998-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity. Biochemistry, 37, 1998
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1DID
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![BU of 1did by Molmil](/molmil-images/mine/1did) | OBSERVATIONS OF REACTION INTERMEDIATES AND THE MECHANISM OF ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE | Descriptor: | 2,5-DIDEOXY-2,5-IMINO-D-GLUCITOL, D-XYLOSE ISOMERASE, MANGANESE (II) ION | Authors: | Collyer, C.A, Goldberg, J.D, Blow, D.M. | Deposit date: | 1992-06-04 | Release date: | 1993-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Observations of reaction intermediates and the mechanism of aldose-ketose interconversion by D-xylose isomerase. Proc.Natl.Acad.Sci.USA, 87, 1990
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2Y5A
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![BU of 2y5a by Molmil](/molmil-images/mine/2y5a) | Cytochrome c peroxidase (CCP) W191G bound to 3-aminopyridine | Descriptor: | 3-AMINOPYRIDINE, CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, ... | Authors: | Cappel, D, Wahlstrom, R, Brenk, R, Sotriffer, C.A. | Deposit date: | 2011-01-12 | Release date: | 2011-10-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Probing the Dynamic Nature of Water Molecules and Their Influences on Ligand Binding in a Model Binding Site. J.Chem.Inf.Model, 51, 2011
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1UQU
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![BU of 1uqu by Molmil](/molmil-images/mine/1uqu) | Trehalose-6-phosphate from E. coli bound with UDP-glucose. | Descriptor: | ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Gibson, R.P, Tarling, C.A, Roberts, S, Withers, S.G, Davies, G.J. | Deposit date: | 2003-10-20 | Release date: | 2003-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The donor subsite of trehalose-6-phosphate synthase: binary complexes with UDP-glucose and UDP-2-deoxy-2-fluoro-glucose at 2 A resolution. J. Biol. Chem., 279, 2004
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1UOU
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![BU of 1uou by Molmil](/molmil-images/mine/1uou) | Crystal structure of human thymidine phosphorylase in complex with a small molecule inhibitor | Descriptor: | 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, THYMIDINE PHOSPHORYLASE | Authors: | Norman, R.A, Barry, S.T, Bate, M, Breed, J, Colls, J.G, Ernill, R.J, Luke, R.W.A, Minshull, C.A, McAlister, M.S.B, McCall, E.J, McMiken, H.H.J, Paterson, D.S, Timms, D, Tucker, J.A, Pauptit, R.A. | Deposit date: | 2003-09-23 | Release date: | 2004-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal Structure of Human Thymidine Phosphorylase in Complex with a Small Molecule Inhibitor Structure, 12, 2004
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2YHH
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![BU of 2yhh by Molmil](/molmil-images/mine/2yhh) | Microvirin:mannobiose complex | Descriptor: | MANNAN-BINDING LECTIN, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | Authors: | Hussan, S, Bewley, C.A, Clore, G.M, Gustchina, E, Ghirlando, R. | Deposit date: | 2011-05-02 | Release date: | 2011-06-15 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Monovalent Lectin Microvirin in Complex with Man(Alpha)(1-2)Man Provides a Basis for Anti-HIV Activity with Low Toxicity. J.Biol.Chem., 286, 2011
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1S9I
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![BU of 1s9i by Molmil](/molmil-images/mine/1s9i) | X-ray structure of the human mitogen-activated protein kinase kinase 2 (MEK2)in a complex with ligand and MgATP | Descriptor: | 5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 2, ... | Authors: | Ohren, J.F, Chen, H, Pavlovsky, A, Whitehead, C, Yan, C, McConnell, P, Delaney, A, Dudley, D.T, Sebolt-Leopold, J, Hasemann, C.A. | Deposit date: | 2004-02-04 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition. Nat.Struct.Mol.Biol., 11, 2004
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2YJF
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![BU of 2yjf by Molmil](/molmil-images/mine/2yjf) | Oligomeric assembly of actin bound to MRTF-A | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mouilleron, S, Langer, C.A, Guettler, S, McDonald, N.Q, Treisman, R. | Deposit date: | 2011-05-19 | Release date: | 2011-07-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of a pentavalent G-actin*MRTF-A complex reveals how G-actin controls nucleocytoplasmic shuttling of a transcriptional coactivator. Sci Signal, 4, 2011
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1UQT
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![BU of 1uqt by Molmil](/molmil-images/mine/1uqt) | Trehalose-6-phosphate from E. coli bound with UDP-2-fluoro glucose. | Descriptor: | ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Authors: | Gibson, R.P, Tarling, C.A, Roberts, S, Withers, S.G, Davies, G.J. | Deposit date: | 2003-10-20 | Release date: | 2003-12-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The donor subsite of trehalose-6-phosphate synthase: binary complexes with UDP-glucose and UDP-2-deoxy-2-fluoro-glucose at 2 A resolution. J. Biol. Chem., 279, 2004
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4NST
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![BU of 4nst by Molmil](/molmil-images/mine/4nst) | Crystal structure of human Cdk12/Cyclin K in complex with ADP-aluminum fluoride | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ... | Authors: | Boesken, C.A, Farnung, L, Anand, K, Geyer, M. | Deposit date: | 2013-11-29 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure and substrate specificity of human Cdk12/Cyclin K. Nat Commun, 5, 2014
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1SN6
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2A3L
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![BU of 2a3l by Molmil](/molmil-images/mine/2a3l) | X-Ray Structure of Adenosine 5'-Monophosphate Deaminase from Arabidopsis Thaliana in Complex with Coformycin 5'-Phosphate | Descriptor: | AMP deaminase, COFORMYCIN 5'-PHOSPHATE, PHOSPHATE ION, ... | Authors: | Han, B.W, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-06-25 | Release date: | 2005-07-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Membrane association, mechanism of action, and structure of Arabidopsis embryonic factor 1 (FAC1). J.Biol.Chem., 281, 2006
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1CNJ
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![BU of 1cnj by Molmil](/molmil-images/mine/1cnj) | |