4OS2
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![BU of 4os2 by Molmil](/molmil-images/mine/4os2) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1) | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4INB
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![BU of 4inb by Molmil](/molmil-images/mine/4inb) | Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine Inhibitor | Descriptor: | (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, Gag protein, SODIUM ION | Authors: | Coulombe, R. | Deposit date: | 2013-01-04 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series. Chemmedchem, 8, 2013
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3QRN
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3QYU
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![BU of 3qyu by Molmil](/molmil-images/mine/3qyu) | Crystal structure of human cyclophilin D at 1.54 A resolution at room temperature | Descriptor: | Peptidyl-prolyl cis-trans isomerase F | Authors: | Colliandre, L, Gelin, M, Labesse, G, Guichou, J.-F. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
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3QYZ
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![BU of 3qyz by Molmil](/molmil-images/mine/3qyz) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 5'-azido-8-bromo-5'-deoxyadenosine, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ... | Authors: | Gelin, M, Pochet, S, Hoh, F, Pirochi, M, Guichou, J.-F, Ferrer, J.-L, Labesse, G. | Deposit date: | 2011-03-04 | Release date: | 2011-08-24 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr.,Sect.D, 67, 2011
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2HG1
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1WOB
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![BU of 1wob by Molmil](/molmil-images/mine/1wob) | Structure of a loop6 hinge mutant of Plasmodium falciparum Triosephosphate Isomerase, W168F, complexed to sulfate | Descriptor: | SULFATE ION, Triosephosphate isomerase | Authors: | Eaazhisai, K, Balaram, H, Balaram, P, Murthy, M.R.N. | Deposit date: | 2004-08-12 | Release date: | 2004-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Unliganded and Inhibitor Complexes of W168F, a Loop6 Hinge Mutant of Plasmodium falciparum Triosephosphate Isomerase: Observation of an Intermediate Position of Loop6 J.Mol.Biol., 343, 2004
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9EN6
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![BU of 9en6 by Molmil](/molmil-images/mine/9en6) | Crystal structure of RNA G2C4 repeats - native model pH 6.5 | Descriptor: | MAGNESIUM ION, RNA (5'-R(*GP*GP*CP*CP*CP*C)-3') | Authors: | Mateja-Pluta, M, Kiliszek, A. | Deposit date: | 2024-03-12 | Release date: | 2024-05-01 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (0.918 Å) | Cite: | Antisense RNA C9orf72 hexanucleotide repeat associated with amyotrophic lateral sclerosis and frontotemporal dementia forms a triplex-like structure and binds small synthetic ligand. Nucleic Acids Res., 52, 2024
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2Y4O
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![BU of 2y4o by Molmil](/molmil-images/mine/2y4o) | Crystal Structure of PaaK2 in complex with phenylacetyl adenylate | Descriptor: | 5'-O-[HYDROXY(PHENYLACETYL)PHOSPHORYL]ADENOSINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Law, A, Boulanger, M.J. | Deposit date: | 2011-01-07 | Release date: | 2011-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Defining a Structural and Kinetic Rationale for Paralogous Copies of Phenylacetate-Coa Ligases from the Cystic Fibrosis Pathogen Burkholderia Cenocepacia J2315. J.Biol.Chem., 286, 2011
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2Y43
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9EO0
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![BU of 9eo0 by Molmil](/molmil-images/mine/9eo0) | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | Deposit date: | 2024-03-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction. Acs Med.Chem.Lett., 15, 2024
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8YBB
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8EX1
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![BU of 8ex1 by Molmil](/molmil-images/mine/8ex1) | |
8WWB
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8EX0
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8EX2
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8BIT
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![BU of 8bit by Molmil](/molmil-images/mine/8bit) | Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and acetyl-AMP | Descriptor: | 4-hydroxybutyrate--CoA ligase 1, COENZYME A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate | Authors: | Capra, N, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2022-11-02 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering Front Catal, 4, 2024
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5E7Q
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![BU of 5e7q by Molmil](/molmil-images/mine/5e7q) | Acyl-CoA synthetase PtmA2 from Streptomyces platensis | Descriptor: | GLYCEROL, SULFATE ION, acyl-CoA synthetase | Authors: | Osipiuk, J, Cuff, M.E, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-10-12 | Release date: | 2015-10-21 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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2JDX
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3QCC
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![BU of 3qcc by Molmil](/molmil-images/mine/3qcc) | |
6ZW0
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6ZVZ
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7NA0
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3QCE
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1WOA
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![BU of 1woa by Molmil](/molmil-images/mine/1woa) | Structure of the loop6 hinge mutant of Plasmodium falciparum Triosephosphate Isomerase, W168F, complexed with Glycerol-2-phosphate | Descriptor: | 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE, Triosephosphate isomerase | Authors: | Eaazhisai, K, Balaram, H, Balaram, P, Murthy, M.R.N. | Deposit date: | 2004-08-12 | Release date: | 2004-10-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of Unliganded and Inhibitor Complexes of W168F, a Loop6 Hinge Mutant of Plasmodium falciparum Triosephosphate Isomerase: Observation of an Intermediate Position of Loop6 J.Mol.Biol., 343, 2004
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