6ZLN
 
 | | CLK1 bound with GW807982X (Cpd 8) | | Descriptor: | 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1 | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-30 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.
J.Med.Chem., 63, 2020
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1MNF
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4FEG
 | | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal A | | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | | Deposit date: | 2012-05-30 | | Release date: | 2012-06-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4FKX
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4FEA
 | | Crystal structure of CASPASE-7 in Complex with allosteric inhibitor | | Descriptor: | Caspase-7, chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper | | Authors: | Kabaleeswaran, V. | | Deposit date: | 2012-05-29 | | Release date: | 2012-08-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
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1W9U
 | | Specificity and affnity of natural product cyclopentapeptide inhibitor Argadin against Aspergillus fumigatus chitinase | | Descriptor: | ARGADIN, CHITINASE, SULFATE ION | | Authors: | Rao, F.V, Houston, D.R, Boot, R.G, Aerts, J.M.F.G, Hodkinson, M, Adams, D.J, Shiomi, K, Omura, S, van Aalten, D.M.F. | | Deposit date: | 2004-10-19 | | Release date: | 2004-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Specificity and Affinity of Natural Product Cyclopentapeptide Inhibitors Against Aspergillus Fumigatus, Human and Bacterial Chitinases
Chem.Biol., 12, 2005
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1VYF
 | | schistosoma mansoni fatty acid binding protein in complex with oleic acid | | Descriptor: | 14 KDA FATTY ACID BINDING PROTEIN, OLEIC ACID | | Authors: | Angelucci, F, Johnson, K.A, Baiocco, P, Miele, A.E, Bellelli, A. | | Deposit date: | 2004-04-29 | | Release date: | 2004-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Schistosoma Mansoni Fatty Acid Binding Protein: Specificity and Functional Control as Revealed by Crystallographic Structure
Biochemistry, 43, 2004
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4FOO
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4FR5
 | | Crystal Structure of Shikimate Dehydrogenase (aroE) Y210S Mutant from Helicobacter pylori in Complex with Shikimate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Shikimate dehydrogenase | | Authors: | Cheng, W.C, Chen, T.J, Wang, W.C. | | Deposit date: | 2012-06-26 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: |
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6ZJS
 | | Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with galactose | | Descriptor: | (2S)-2-hydroxybutanedioic acid, ACETATE ION, Beta-galactosidase, ... | | Authors: | Rutkiewicz, M, Bujacz, A, Bujacz, G. | | Deposit date: | 2020-06-29 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
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1W9E
 | | Crystal structure of the PDZ tandem of human syntenin in complex with TNEFYF peptide | | Descriptor: | BENZOIC ACID, SYNTENIN 1, TNEFYF PEPTIDE | | Authors: | Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2004-10-09 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
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4F8O
 | | X-ray structure of PsaA from Yersinia pestis, in complex with lactose and AEBSF | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, GUANIDINE, ... | | Authors: | Bao, R, Esser, L, Xia, D. | | Deposit date: | 2012-05-17 | | Release date: | 2013-05-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4FB8
 | | Crystal Structure of apo Acyl-CoA Carboxylase | | Descriptor: | Probable propionyl-CoA carboxylase beta chain 6 | | Authors: | Reddy, M.C.M, Bruning, J.B, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-05-22 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis.
Antimicrob.Agents Chemother., 58, 2014
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1W9O
 | | Crystal structure of the PDZ tandem of human syntenin in complex with TNEYYV peptide | | Descriptor: | BENZOIC ACID, SYNTENIN 1, TNEYYV PEPTIDE | | Authors: | Grembecka, J, Cierpicki, T, Devedjiev, Y, Cooper, D.R, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2004-10-15 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Binding of the Pdz Tandem of Syntenin to Target Proteins.
Biochemistry, 45, 2006
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4FDW
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4FG9
 | | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-320 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | | Deposit date: | 2012-06-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
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4FG8
 | | Crystal structure of human calcium/calmodulin-dependent protein kinase I 1-315 in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type 1 | | Authors: | Zha, M, Zhong, C, Ou, Y, Wang, J, Han, L, Ding, J. | | Deposit date: | 2012-06-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human CaMKIalpha reveal insights into the regulation mechanism of CaMKI.
Plos One, 7, 2012
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4FGL
 | | Reduced quinone reductase 2 in complex with chloroquine | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Leung, K.K, Shilton, B.H. | | Deposit date: | 2012-06-04 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structures of quinone reductase 2 bound to antimalarial drugs reveal conformational change upon reduction
J.Biol.Chem., 2013
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4FHA
 | | Structure of Dihydrodipicolinate Synthase from Streptococcus pneumoniae,bound to pyruvate and lysine | | Descriptor: | Dihydrodipicolinate synthase, LYSINE, SODIUM ION | | Authors: | Perugini, M.A, Dogovski, C, Parker, M.W, Gorman, M.A. | | Deposit date: | 2012-06-06 | | Release date: | 2013-09-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure, Function, Stability and Knockout Phenotype of Dihydrodipicolinate Synthase from Streptococcus pneumoniae
To be Published
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1WBE
 | | X-ray structure of bovine GLTP | | Descriptor: | DECANOIC ACID, GLYCEROL, GLYCOLIPID TRANSFER PROTEIN | | Authors: | Airenne, T.T, Kidron, H, West, G, Nymalm, Y, Nylund, M, Mattjus, P, Salminen, T.A. | | Deposit date: | 2004-11-01 | | Release date: | 2005-11-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural Evidence for Adaptive Ligand Binding of Glycolipid Transfer Protein.
J.Mol.Biol., 355, 2006
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1VYB
 | | Endonuclease domain of human LINE1 ORF2p | | Descriptor: | GLYCEROL, ORF2 CONTAINS A REVERSE TRANSCRIPTASE DOMAIN, SULFATE ION, ... | | Authors: | Weichenrieder, O, Repanas, K, Perrakis, A. | | Deposit date: | 2004-04-25 | | Release date: | 2004-06-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the targeting endonuclease of the human LINE-1 retrotransposon.
Structure, 12, 2004
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4FL6
 | | Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 | | Descriptor: | Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | | Authors: | Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-14 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.
Nat. Chem. Biol., 9, 2013
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6QMH
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4FN8
 | | Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c)in complex with acetoacetyl CoA | | Descriptor: | ACETOACETYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION | | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-06-19 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.831 Å) | | Cite: | Crystal structure and mechanism of the prokaryotic enoyl CoA isomerase (ECI)
To be Published
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4FNB
 | | Crystal structure of the Mtb enoyl CoA isomerase (Rv0632c) in complex with hydroxybutyrl CoA | | Descriptor: | 3-HYDROXYBUTANOYL-COENZYME A, Enoyl-CoA hydratase/isomerase family protein, SULFATE ION | | Authors: | Bruning, J.B, Gao, N, Hernandez, E.D, Li, H, Dang, N, Hung, L.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-06-19 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure and Mechanism of the Prokaryotic Enoyl CoA Isomerase
To be Published
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