PDB: 66478 resultsInfo pagesStatus searchChemie searchBIRD

---

4FAM	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) Descriptor: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... Authors: Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. Deposit date: 2012-05-22 Release date: 2012-10-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
5DY5	Crystal structure of human Sirt2 in complex with a SirReal probe fragment Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. Deposit date: 2015-09-24 Release date: 2016-01-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure-Based Development of an Affinity Probe for Sirtuin 2. Angew.Chem.Int.Ed.Engl., 55, 2016
5EDM	Crystal structure of prothrombin deletion mutant residues 154-167 ( Form I ) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... Authors: Pozzi, N, Chen, Z, Di Cera, E. Deposit date: 2015-10-21 Release date: 2016-01-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.2 Å) Cite: How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin. J.Biol.Chem., 291, 2016
5E5F	X-ray structure of the complex between RNase A and compound 4-PF6 ([(PPh3)Au(mi-pbi)Pt(Me)(DMSO)][PF6]), the heterobimetallic derivative obtained in the reaction between the organometallic compound [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3) and the gold(I) compound [Au(Ph3P)][PF6] Descriptor: ACETATE ION, GOLD ION, Ribonuclease pancreatic, ... Authors: Merlino, A. Deposit date: 2015-10-08 Release date: 2015-12-09 Last modified: 2019-11-20 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives. Dalton Trans, 45, 2015
5E5O	I-SmaMI bound to uncleaved DNA target in the presence of Calcium ions Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (25-MER), ... Authors: Shen, B.W. Deposit date: 2015-10-08 Release date: 2016-01-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.36 Å) Cite: The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
4FAL	Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) Descriptor: 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... Authors: Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. Deposit date: 2012-05-22 Release date: 2012-10-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
4F2J	Crystal structure of ZNF217 bound to DNA, P6522 crystal form Descriptor: 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', ZINC ION, Zinc finger protein 217 Authors: Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P. Deposit date: 2012-05-08 Release date: 2013-02-27 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.64 Å) Cite: New insights into DNA recognition by zinc fingers revealed by structural analysis of the oncoprotein ZNF217 J.Biol.Chem., 288, 2013
4J75	Crystal Structure of a parasite tRNA synthetase, product-bound Descriptor: GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase Authors: Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J. Deposit date: 2013-02-12 Release date: 2013-05-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design. Mol.Biochem.Parasitol., 189, 2013
4I3E	Crystal structure of Staphylococcal IMPase - I complexed with products. Descriptor: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... Authors: Bhattacharyya, S, Dutta, A, Dutta, D, Das, A.K. Deposit date: 2012-11-26 Release date: 2013-12-18 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of Staphylococcal IMPase - I complexed with products. To be Published
4I3Y	Crystal structure of Staphylococcal inositol monophosphatase-1: 100 mM LiCl soaked inhibitory complex Descriptor: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ... Authors: Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K. Deposit date: 2012-11-26 Release date: 2013-11-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase. Febs J., 281, 2014
4JWP	Crystal structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis in complex with Acetyl CoA Descriptor: ACETYL COENZYME *A, CALCIUM ION, CHLORIDE ION, ... Authors: SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2013-03-27 Release date: 2013-05-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis in complex with Acetyl CoA TO BE PUBLISHED
4IX0	Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy Descriptor: NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein Authors: Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. Deposit date: 2013-01-24 Release date: 2013-08-21 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
4JYS	Crystal structure of FKBP25 from Plasmodium Vivax Descriptor: CHLORIDE ION, IMIDAZOLE, Peptidyl-prolyl cis-trans isomerase Authors: Sreekanth, R, Yoon, H.S. Deposit date: 2013-04-01 Release date: 2014-02-12 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of Plasmodium vivax FK506-binding protein 25 reveals conformational changes responsible for its noncanonical activity Proteins, 82, 2014
4TUR	Human DNA polymerase beta inserting dCMPNPP opposite the 5'G of cisplatin crosslinked Gs (Pt-GG2) Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*CP*CP*CP*AP*CP*GP*GP*CP*CP*CP*AP*TP*CP*AP*CP*C)-3'), ... Authors: Koag, M.C, Lee, S. Deposit date: 2014-06-24 Release date: 2014-10-01 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.169 Å) Cite: Structural Basis for the Inefficient Nucleotide Incorporation Opposite Cisplatin-DNA Lesion by Human DNA Polymerase beta. J.Biol.Chem., 289, 2014
2IXF	Crystal structure of the ATPase domain of TAP1 with ATP (D645Q, Q678H mutant) Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ANTIGEN PEPTIDE TRANSPORTER 1, GLYCEROL, ... Authors: Procko, E, Ferrin-O'Connell, I, Ng, S.-L, Gaudet, R. Deposit date: 2006-07-08 Release date: 2006-10-11 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Distinct Structural and Functional Properties of the ATPase Sites in an Asymmetric Abc Transporter. Mol.Cell, 24, 2001
7BEX	Glyceraldehyde 3-phosphate dehydrogenase from Campylobacter jejeuni - ADP complex Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, ... Authors: Moody, P.C.E, Ayna, A. Deposit date: 2020-12-29 Release date: 2022-01-12 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.054 Å) Cite: structure of Camplylobacter jejueni GAPDH in complex with ADP To Be Published
4BI8	Crystal structure of the type VI effector-immunity complex Ssp1-Rap1a from Serratia marcescens Descriptor: RAP1A, SSSP1 Authors: Srikannathasan, V, Coulthurst, S.J, Hunter, W.N. Deposit date: 2013-04-09 Release date: 2013-06-19 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens Acta Crystallogr.,Sect.D, 69, 2013
4XBJ	Y274F alanine racemase from E. coli inhibited by l-ala-p Descriptor: Alanine racemase, biosynthetic, SULFATE ION, ... Authors: Squire, C.J, Yosaatmadja, Y, Patrick, W.M. Deposit date: 2014-12-17 Release date: 2015-12-23 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes. J.Biol.Chem., 291, 2016
4TY1	Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor. Descriptor: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1 Authors: Mohr, C. Deposit date: 2014-07-07 Release date: 2015-02-04 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
4UBC	DNA polymerase beta substrate complex with a templating cytosine and incoming 8-oxodGTP, 0 s Descriptor: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... Authors: Freudenthal, B.D, Wilson, S.H, Beard, W.A. Deposit date: 2014-08-12 Release date: 2014-11-12 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide. Nature, 517, 2015
4TUF	Catalytic domain of the major endoglucanase from Xanthomonas campestris pv. campestris Descriptor: DIHYDROGENPHOSPHATE ION, Major extracellular endoglucanase Authors: Puhl, A.C, Rosseto, F.R, Polikarpov, I. Deposit date: 2014-06-24 Release date: 2015-10-14 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Substrate cleavage pattern, biophysical characterization and crystallographic structure of the major endoglucanase from Xanthomonas campestris pv. campestris To Be Published
4TZA	TGP, an extremely thermostable green fluorescent protein created by structure-guided surface engineering Descriptor: Fluorescent Protein Authors: Close, D.W, Bradbury, A.R.M. Deposit date: 2014-07-09 Release date: 2014-10-22 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Thermal green protein, an extremely stable, nonaggregating fluorescent protein created by structure-guided surface engineering. Proteins, 83, 2015
4BI3	Structure and function of amidase toxin - antitoxin combinations associated with the type VI secretion system of Serratia marcescens. Descriptor: POTASSIUM ION, SSP1, SULFATE ION Authors: Srikannathasan, V, English, G, Bui, N.K, Trunk, K, Rourke, P.E.F.O, Rao, V.A, Vollmer, W, Coulthurst, S.J, Hunter, W.N. Deposit date: 2013-04-09 Release date: 2013-06-19 Last modified: 2013-12-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens Acta Crystallogr.,Sect.D, 69, 2013
4K3Q	E. coli sliding clamp in complex with AcQLDAF Descriptor: (ACE)QLDAF, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... Authors: Yin, Z, Oakley, A.J. Deposit date: 2013-04-11 Release date: 2013-05-01 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
2YDJ	Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas Descriptor: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 Authors: Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. Deposit date: 2011-03-22 Release date: 2012-01-25 Last modified: 2019-04-03 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012

<262263264265266267268269270271272273274275276277>