1YK8
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![BU of 1yk8 by Molmil](/molmil-images/mine/1yk8) | Cathepsin K complexed with a cyanamide-based inhibitor | Descriptor: | Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE | Authors: | Barrett, D.G, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Shewchuk, L.M, Willard, D.H, Wright, L.L. | Deposit date: | 2005-01-17 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Acyclic cyanamide-based inhibitors of cathepsin K. Bioorg.Med.Chem.Lett., 15, 2005
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5D5L
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1YKD
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![BU of 1ykd by Molmil](/molmil-images/mine/1ykd) | Crystal Structure of the Tandem GAF Domains from a Cyanobacterial Adenylyl Cyclase: Novel Modes of Ligand-Binding and Dimerization | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, adenylate cyclase | Authors: | Martinez, S.E, Bruder, S, Schultz, A, Zheng, N, Schultz, J.E, Beavo, J.A, Linder, J.U. | Deposit date: | 2005-01-17 | Release date: | 2005-02-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the tandem GAF domains from a cyanobacterial adenylyl cyclase: Modes of ligand binding and dimerization Proc.Natl.Acad.Sci.USA, 102, 2005
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4AL4
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![BU of 4al4 by Molmil](/molmil-images/mine/4al4) | rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)3-oxo-propyl)carbamoylamino)ethoxy)phenyl)methylpropanedioic acid | Descriptor: | 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Ward, R, Tart, J, Davies, G, Hohson, M, Pearson, S. | Deposit date: | 2012-03-01 | Release date: | 2012-03-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AQ3
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![BU of 4aq3 by Molmil](/molmil-images/mine/4aq3) | HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR | Descriptor: | APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1, N,N-dibutyl-4-chloranyl-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-[(7-iodanylnaphthalen-2-yl)sulfonylcarbamoyl]phenyl]-5-methyl-pyrazole-3-carboxamide | Authors: | Bertrand, J.A, Fasolini, M, Modugno, M. | Deposit date: | 2012-04-12 | Release date: | 2012-06-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of a Phenylacylsulfonamide Series of Dual Bcl-2/Bcl-Xl Antagonists. Bioorg.Med.Chem.Lett., 22, 2012
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1XME
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![BU of 1xme by Molmil](/molmil-images/mine/1xme) | Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide I, Cytochrome c oxidase polypeptide II, ... | Authors: | Hunsicker-Wang, L.M, Pacoma, R.L, Chen, Y, Fee, J.A, Stout, C.D. | Deposit date: | 2004-10-01 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel cryoprotection scheme for enhancing the diffraction of crystals of recombinant cytochrome ba3 oxidase from Thermus thermophilus. Acta Crystallogr.,Sect.D, 61, 2005
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5DID
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![BU of 5did by Molmil](/molmil-images/mine/5did) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a difluoro-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | Descriptor: | (1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, 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: | 2015-08-31 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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1XBX
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![BU of 1xbx by Molmil](/molmil-images/mine/1xbx) | Structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/R139V/T169A mutant with bound D-ribulose 5-phosphate | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, 5-O-phosphono-L-ribulose, MAGNESIUM ION, ... | Authors: | Wise, E.L, Yew, W.S, Akana, J, Gerlt, J.A, Rayment, I. | Deposit date: | 2004-08-31 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Evolution of enzymatic activities in the orotidine 5'-monophosphate decarboxylase suprafamily: structural basis for catalytic promiscuity in wild-type and designed mutants of 3-keto-L-gulonate 6-phosphate decarboxylase Biochemistry, 44, 2005
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1XP3
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![BU of 1xp3 by Molmil](/molmil-images/mine/1xp3) | Crystal Structure of Endonuclease IV (BA4508) from Bacillus anthracis at 2.57A Resolution. | Descriptor: | SULFATE ION, ZINC ION, endonuclease IV | Authors: | Fogg, M.J, Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-10-08 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal Structure of Endonuclease IV (BA4508) from Bacillus anthracis at 2.57A Resolution. To be Published
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4ANF
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![BU of 4anf by Molmil](/molmil-images/mine/4anf) | Structure of the ornithine carbamoyltransferase from Mycoplasma penetrans with a P23 Space group | Descriptor: | ORNITHINE CARBAMOYLTRANSFERASE, CATABOLIC | Authors: | Gallego, P, Benach, J, Planell, R, Querol, E, Perez-Pons, J.A, Reverter, D. | Deposit date: | 2012-03-16 | Release date: | 2012-03-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma Penetrans. Plos One, 7, 2012
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1XEA
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![BU of 1xea by Molmil](/molmil-images/mine/1xea) | Crystal structure of a Gfo/Idh/MocA family oxidoreductase from Vibrio cholerae | Descriptor: | NICKEL (II) ION, Oxidoreductase, Gfo/Idh/MocA family | Authors: | R Rajashankar, K, Reynes, J.A, Kniewel, R, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-09-09 | Release date: | 2004-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of a Gfo/Idh/MocA family oxidoreductase from Vibrio cholerae To be Published
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1XIL
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![BU of 1xil by Molmil](/molmil-images/mine/1xil) | HYDROGEN BONDING IN HUMAN MANGANESE SUPEROXIDE DISMUTASE CONTAINING 3-FLUOROTYROSINE | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Ayala, I, Perry, J.J, Szczepanski, J, Cabelli, D.E, Tainer, J.A, Vala, M.T, Nick, H.S, Silverman, D.N. | Deposit date: | 2004-09-21 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Hydrogen bonding in human manganese superoxide dismutase containing 3-fluorotyrosine Biophys.J., 89, 2005
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4AL6
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5A46
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![BU of 5a46 by Molmil](/molmil-images/mine/5a46) | FGFR1 in complex with dovitinib | Descriptor: | 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | Authors: | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase. Nat.Commun., 6, 2015
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1XR3
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![BU of 1xr3 by Molmil](/molmil-images/mine/1xr3) | Actinorhodin Polyketide Ketoreductase with NADP and the Inhibitor Isoniazid bound | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ACTINORHODIN POLYKETIDE KETOREDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korman, T.P, Hill, J.A, Vu, T.N, Tsai, S.C. | Deposit date: | 2004-10-13 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity. Biochemistry, 43, 2004
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1XVR
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![BU of 1xvr by Molmil](/molmil-images/mine/1xvr) | echinomycin (CGTACG)2 complex | Descriptor: | 2-CARBOXYQUINOXALINE, 5'-D(*CP*GP*TP*AP*CP*G)-3', ECHINOMYCIN, ... | Authors: | Cuesta-Seijo, J.A, Sheldrick, G.M. | Deposit date: | 2004-10-28 | Release date: | 2005-04-12 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of Complexes between Echinomycin and Duplex DNA. Acta Crystallogr.,Sect.D, 61, 2005
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4A3R
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![BU of 4a3r by Molmil](/molmil-images/mine/4a3r) | Crystal structure of Enolase from Bacillus subtilis. | Descriptor: | CITRIC ACID, ENOLASE, SODIUM ION | Authors: | Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A.S, Harwood, C.R, Lewis, R.J. | Deposit date: | 2011-10-04 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dissection of the Network of Interactions that Links RNA Processing with Glycolysis in the Bacillus Subtilis Degradosome. J.Mol.Biol., 416, 2012
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1KZX
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![BU of 1kzx by Molmil](/molmil-images/mine/1kzx) | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) | Descriptor: | INTESTINAL FATTY ACID-BINDING PROTEIN (T54) | Authors: | Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A. | Deposit date: | 2002-02-08 | Release date: | 2003-07-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism Biochemistry, 42, 2003
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4A3S
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![BU of 4a3s by Molmil](/molmil-images/mine/4a3s) | Crystal structure of PFK from Bacillus subtilis | Descriptor: | 6-PHOSPHOFRUCTOKINASE | Authors: | Newman, J.A, Hewitt, L, Rodrigues, C, Solovyova, A.S, Harwood, C.R, Lewis, R.J. | Deposit date: | 2011-10-04 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dissection of the Network of Interactions that Links RNA Processing with Glycolysis in the Bacillus Subtilis Degradosome. J.Mol.Biol., 416, 2012
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1XMN
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![BU of 1xmn by Molmil](/molmil-images/mine/1xmn) | Crystal structure of thrombin bound to heparin | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ... | Authors: | Carter, W.J, Cama, E, Huntington, J.A. | Deposit date: | 2004-10-04 | Release date: | 2004-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of thrombin bound to heparin J.Biol.Chem., 280, 2005
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5AA4
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![BU of 5aa4 by Molmil](/molmil-images/mine/5aa4) | Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide | Descriptor: | MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium | Authors: | Dominguez-Gil, T, Acebron, I, Hermoso, J.A. | Deposit date: | 2015-07-23 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure, 24, 2016
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5DIG
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![BU of 5dig by Molmil](/molmil-images/mine/5dig) | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a trifluoromethyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol | Descriptor: | (1S,3aR,5S,7aS)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]-7a-methyloctahydro-1H-inden-1-ol, 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: | 2015-09-01 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4AMU
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![BU of 4amu by Molmil](/molmil-images/mine/4amu) | Structure of ornithine carbamoyltransferase from Mycoplasma penetrans with a P321 space group | Descriptor: | ORNITHINE CARBAMOYLTRANSFERASE, CATABOLIC | Authors: | Gallego, P, Benach, J, Planell, R, Querol, E, Perez-Pons, J.A, Reverter, D. | Deposit date: | 2012-03-13 | Release date: | 2012-03-28 | Last modified: | 2024-05-08 | 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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5D55
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![BU of 5d55 by Molmil](/molmil-images/mine/5d55) | Crystal structure of the E. coli Hda pilus minor tip subunit, HdaB | Descriptor: | CITRATE ANION, HdaB,HdaA (Adhesin), HUS-associated diffuse adherence, ... | Authors: | Lee, W.-C, Garnett, J.A, Matthews, S.J. | Deposit date: | 2015-08-10 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and analysis of HdaB: The enteroaggregative Escherichia coli AAF/IV pilus tip protein. Protein Sci., 25, 2016
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5D0J
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![BU of 5d0j by Molmil](/molmil-images/mine/5d0j) | Grb7 SH2 with inhibitor peptide | Descriptor: | G7-TEdFP peptide, Growth factor receptor-bound protein 7, PHOSPHATE ION | Authors: | Gunzburg, M.J, Watson, G.M, Wilce, J.A, Wilce, M.C.J. | Deposit date: | 2015-08-03 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7. Sci Rep, 6, 2016
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