4R1Y
 
 | | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate, Hepatocyte growth factor receptor | | Authors: | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | | Deposit date: | 2014-08-08 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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3CA8
 | | Crystal structure of Escherichia coli YdcF, an S-adenosyl-L-methionine utilizing enzyme | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Protein ydcF, SULFATE ION | | Authors: | Lim, K, Chao, K, Lehmann, C, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2008-02-19 | | Release date: | 2008-05-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Escherichia coli YdcF binds S-adenosyl-L-methionine and adopts an alpha/beta-fold characteristic of nucleotide-utilizing enzymes.
Proteins, 72, 2008
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6IAO
 | | Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Mirza, O, Rafiq, M, Frydenvang, K. | | Deposit date: | 2018-11-27 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol.
Plos One, 14, 2019
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3HJ7
 | | Crystal structure of TILS C-terminal domain | | Descriptor: | CHLORIDE ION, tRNA(Ile)-lysidine synthase | | Authors: | Nakanishi, K, Bonnefond, L, Kimura, S, Suzuki, T, Ishitani, R, Nureki, O. | | Deposit date: | 2009-05-21 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for translational fidelity ensured by transfer RNA lysidine synthetase.
Nature, 461, 2009
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5JZ9
 | | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | | Descriptor: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | | Authors: | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | Deposit date: | 2016-05-16 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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3CCK
 | | Human CD69 | | Descriptor: | CHLORIDE ION, Early activation antigen CD69 | | Authors: | Brynda, J, Vanek, O, Rezacova, P. | | Deposit date: | 2008-02-26 | | Release date: | 2008-11-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Soluble recombinant CD69 receptors optimized to have an exceptional physical and chemical stability display prolonged circulation and remain intact in the blood of mice
Febs J., 275, 2008
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3HIM
 | | The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A | | Descriptor: | Probable transcriptional regulator | | Authors: | Stein, A.J, Binkowski, T.A, Evdokimova, E, Kagan, O, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-05-20 | | Release date: | 2009-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Crystal Structure of a Bacterial Regulatory Protein in the tetR Family from Rhodococcus RHA1 to 2.2A
To be Published
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4RA7
 | | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin | | Descriptor: | (2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan glycosyltransferase | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin
To be Published
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4QXU
 | | Novel Inhibition Mechanism of Membrane Metalloprotease by an Exosite-Swiveling Conformational antibody | | Descriptor: | Matrix metalloproteinase-14, SULFATE ION, anti_MT1-MMP Heavy chain, ... | | Authors: | Udi, Y, Grossman, M, Solomonov, I, Dym, O, Rozenberg, H, Moreno, v, Cuiniasse, P, Dive, V, Arroyo, A.G, Sagi, I, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2014-07-22 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
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4RFA
 | | Crystal structure of cyclic nucleotide-binding domain containing protein from Listeria monocytogenes EGD-e | | Descriptor: | Lmo0740 protein | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-25 | | Release date: | 2014-10-15 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of cyclic nucleotide-binding domain containing protein from Listeria monocytogenes EGD-e
To be Published
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5K9N
 | | Structural and Mechanistic Analysis of Drosophila melanogaster Polyamine N acetyltransferase, an enzyme that Catalyzes the Formation of N acetylagmatine | | Descriptor: | Polyamine N acetyltransferase | | Authors: | Dempsey, D.R, Nichols, D.A, Battistini, M.R, Pemberton, O, Ospina, S.R, Zhang, X, Carpenter, A.-M, Chen, Y, Merkler, D.J. | | Deposit date: | 2016-06-01 | | Release date: | 2017-06-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Analysis of Drosophila melanogaster Agmatine N-Acetyltransferase, an Enzyme that Catalyzes the Formation of N-Acetylagmatine.
Sci Rep, 7, 2017
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6IU9
 | | Crystal structure of cytoplasmic metal binding domain with iron ions | | Descriptor: | FE (II) ION, VIT1, ZINC ION | | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O. | | Deposit date: | 2018-11-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
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5JOZ
 | | Bacteroides ovatus Xyloglucan PUL GH43B | | Descriptor: | CALCIUM ION, Non-reducing end alpha-L-arabinofuranosidase BoGH43B | | Authors: | Hemsworth, G.R, Thompson, A.J, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
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6IGK
 | | Crystal Structure of human ETB receptor in complex with Endothelin-3 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CITRIC ACID, Endothelin receptor type B,Endolysin,Endothelin receptor type B, ... | | Authors: | Shihoya, W, Izume, T, Inoue, A, Yamashita, K, Kadji, F.M.N, Hirata, K, Aoki, J, Nishizawa, T, Nureki, O. | | Deposit date: | 2018-09-25 | | Release date: | 2018-11-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of human ETBreceptor provide mechanistic insight into receptor activation and partial activation.
Nat Commun, 9, 2018
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1WNT
 | | Structure of the tetrameric form of Human L-Xylulose Reductase | | Descriptor: | L-xylulose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | El-Kabbani, O, Carbone, V, Darmanin, C, Ishikura, S, Hara, A. | | Deposit date: | 2004-08-09 | | Release date: | 2005-07-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the tetrameric form of human L-Xylulose reductase: Probing the inhibitor-binding site with molecular modeling and site-directed mutagenesis
Proteins, 60, 2005
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3B6K
 | | WrbA from Escherichia coli, Benzoquinone complex | | Descriptor: | 1,4-benzoquinone, FLAVIN MONONUCLEOTIDE, Flavoprotein wrbA, ... | | Authors: | Andrade, S.L.A, Patridge, E.V, Ferry, J.G, Einsle, O. | | Deposit date: | 2007-10-29 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal structure of the NADH:quinone oxidoreductase WrbA from Escherichia coli.
J.Bacteriol., 189, 2007
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3BHY
 | | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with a beta-carboline ligand | | Descriptor: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile, CHLORIDE ION, Death-associated protein kinase 3 | | Authors: | Filippakopoulos, P, Rellos, P, Eswaran, J, Fedorov, O, Berridge, G, Niesen, F, Bracher, F, Huber, K, Pike, A.C.W, Roos, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-11-29 | | Release date: | 2007-12-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | 7,8-dichloro-1-oxo-beta-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
J.Med.Chem., 55, 2012
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5JXW
 | | 2.25 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Neplanocin-A and NAD | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenosylhomocysteinase, GLYCEROL, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-13 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 2.25 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Neplanocin-A and NAD
To Be Published
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3GIU
 | | 1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus | | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-03-06 | | Release date: | 2009-03-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus
TO BE PUBLISHED
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3BCJ
 | | Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) at 0.78 A | | Descriptor: | (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, CITRIC ACID, ... | | Authors: | Zhao, H.T, El-Kabbani, O. | | Deposit date: | 2007-11-13 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.78 Å) | | Cite: | Unusual Binding Mode of the 2S4R Stereoisomer of the Potent Aldose Reductase Cyclic Imide Inhibitor Fidarestat (2S4S) in the 15 K Crystal Structure of the Ternary Complex Refined at 0.78 A Resolution: Implications for the Inhibition Mechanism
J.Med.Chem., 51, 2008
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3D0A
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3D1E
 | | Crystal structure of E. coli sliding clamp (beta) bound to a polymerase II peptide | | Descriptor: | DNA polymerase III subunit beta, decamer from polymerase II C-terminal | | Authors: | Georgescu, R.E, Yurieva, O, Seung-Sup, K, Kuriyan, J, Kong, X.-P, O'Donnell, M. | | Deposit date: | 2008-05-05 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a small-molecule inhibitor of a DNA polymerase sliding clamp.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3GAY
 | | Structure of Giardia fructose-1,6-biphosphate aldolase in complex with tagatose-1,6-biphosphate | | Descriptor: | 1,6-di-O-phosphono-D-tagatose, Fructose-bisphosphate aldolase, ZINC ION | | Authors: | Galkin, A, Herzberg, O. | | Deposit date: | 2009-02-18 | | Release date: | 2009-03-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the substrate binding and stereoselectivity of giardia fructose-1,6-bisphosphate aldolase.
Biochemistry, 48, 2009
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3G5P
 | | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target | | Descriptor: | COBALT (II) ION, PHOSPHATE ION, Peptide deformylase, ... | | Authors: | Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A. | | Deposit date: | 2009-02-05 | | Release date: | 2009-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
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3GB6
 | | Structure of Giardia fructose-1,6-biphosphate aldolase D83A mutant in complex with fructose-1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-D-fructose, Fructose-bisphosphate aldolase, ZINC ION | | Authors: | Galkin, A, Herzberg, O. | | Deposit date: | 2009-02-18 | | Release date: | 2009-03-31 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into the substrate binding and stereoselectivity of giardia fructose-1,6-bisphosphate aldolase.
Biochemistry, 48, 2009
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