4DKY
 
 | | Crystal structure Analysis of N terminal region containing the dimerization domain and DNA binding domain of HU protein(Histone like protein-DNA binding) from Mycobacterium tuberculosis [H37Ra] | | Descriptor: | DNA-binding protein HU homolog, MANGANESE (II) ION | | Authors: | Bhowmick, T, Ramagopal, U.A, Ghosh, S, Nagaraja, V, Ramakumar, S. | | Deposit date: | 2012-02-05 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.478 Å) | | Cite: | Targeting Mycobacterium tuberculosis nucleoid-associated protein HU with structure-based inhibitors
Nat Commun, 5, 2014
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2IQ1
 | | Crystal structure of human PPM1K | | Descriptor: | MAGNESIUM ION, Protein phosphatase 2C kappa, PPM1K | | Authors: | Bonanno, J.B, Freeman, J, Russell, M, Bain, K.T, Adams, J, Pelletier, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-12 | | Release date: | 2006-11-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
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4DCD
 | | 1.6A resolution structure of PolioVirus 3C Protease Containing a covalently bound dipeptidyl inhibitor | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Genome polyprotein, ... | | Authors: | Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O. | | Deposit date: | 2012-01-17 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
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4E28
 | | Structure of human thymidylate synthase in inactive conformation with a novel non-peptidic inhibitor | | Descriptor: | 2-{(2Z,5S)-4-hydroxy-2-[(2E)-(2-hydroxybenzylidene)hydrazinylidene]-2,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{(5S)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxo-4,5-dihydro-1,3-thiazol-5-yl}-N-[3-(trifluoromethyl)phenyl]acetamide, SULFATE ION, ... | | Authors: | Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P. | | Deposit date: | 2012-03-07 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase.
J.Med.Chem., 55, 2012
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4DCE
 | | Crystal structure of human anaplastic lymphoma kinase in complex with a piperidine-carboxamide inhibitor | | Descriptor: | (3S)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide, ALK tyrosine kinase receptor | | Authors: | Whittington, D.A, Epstein, L.F, Chen, H. | | Deposit date: | 2012-01-17 | | Release date: | 2012-02-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Rapid development of piperidine carboxamides as potent and selective anaplastic lymphoma kinase inhibitors.
J.Med.Chem., 55, 2012
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2ING
 | | X-ray Structure of the BRCA1 BRCT mutant M1775K | | Descriptor: | Breast cancer type 1 susceptibility protein, COBALT (II) ION, SULFATE ION | | Authors: | Birrane, G, Soni, A, Ladias, J.A.A. | | Deposit date: | 2006-10-07 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Pathogenicity of the BRCA1 missense variant M1775K is determined by the disruption of the BRCT phosphopeptide-binding pocket: a multi-modal approach.
Eur.J.Hum.Genet., 16, 2008
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4DHS
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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4DI1
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2IO1
 | | Crystal structure of human Senp2 in complex with preSUMO-3 | | Descriptor: | Sentrin-specific protease 2, Small ubiquitin-related modifier 3 precursor | | Authors: | Reverter, D, Lima, C.D. | | Deposit date: | 2006-10-09 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for SENP2 protease interactions with SUMO precursors and conjugated substrates.
Nat.Struct.Mol.Biol., 13, 2006
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2IPH
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4DMN
 | | HIV-1 Integrase Catalytical Core Domain | | Descriptor: | (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid, ARSENIC, HIV-1 Integrase, ... | | Authors: | Feng, L, Kvaratskhelia, M. | | Deposit date: | 2012-02-08 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Multimode, cooperative mechanism of action of allosteric HIV-1 integrase inhibitors.
J.Biol.Chem., 287, 2012
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4DLP
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4DN2
 | | CRYSTAL STRUCTURE OF putative Nitroreductase from Geobacter metallireducens GS-15 | | Descriptor: | FLAVIN MONONUCLEOTIDE, Nitroreductase | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-08 | | Release date: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | CRYSTAL STRUCTURE OF putative Nitroreductase from Geobacter metallireducens GS-15
To be Published
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4DNG
 | | Crystal structure of putative aldehyde dehydrogenase from Bacillus subtilis subsp. subtilis str. 168 | | Descriptor: | Uncharacterized aldehyde dehydrogenase AldY | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-08 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of putative aldehyde dehydrogenase from Bacillus subtilis subsp. subtilis str. 168
To be Published
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4MEL
 | | Crystal Structure of the human USP11 DUSP-UBL domains | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | | Deposit date: | 2013-08-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.899 Å) | | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains.
Biochemistry, 53, 2014
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4MGM
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3N23
 | | Crystal structure of the high affinity complex between ouabain and the E2P form of the sodium-potassium pump | | Descriptor: | MAGNESIUM ION, Na+/K+ ATPase gamma subunit transcript variant a, OUABAIN, ... | | Authors: | Yatime, L, Laursen, M, Morth, J.P, Esmann, M, Nissen, P, Fedosova, N.U. | | Deposit date: | 2010-05-17 | | Release date: | 2011-01-19 | | Last modified: | 2014-09-17 | | Method: | X-RAY DIFFRACTION (4.6 Å) | | Cite: | Structural insights into the high affinity binding of cardiotonic steroids to the Na+,K+-ATPase.
J.Struct.Biol., 174, 2011
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3N2Z
 | | The Structure of Human Prolylcarboxypeptidase at 2.80 Angstroms Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal Pro-X carboxypeptidase, ... | | Authors: | Soisson, S.M, Patel, S.B, Lumb, K.J, Sharma, S. | | Deposit date: | 2010-05-19 | | Release date: | 2010-07-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural definition and substrate specificity of the S28 protease family: the crystal structure of human prolylcarboxypeptidase.
Bmc Struct.Biol., 10, 2010
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3N6X
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3NM8
 | | Crystal structure of Tyrosinase from Bacillus megaterium | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Tyrosinase, ... | | Authors: | Sendovski, M, Kanteev, M, Adir, N, Fishman, A. | | Deposit date: | 2010-06-22 | | Release date: | 2010-11-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | First structures of an active bacterial tyrosinase reveal copper plasticity
J.Mol.Biol., 405, 2011
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4M11
 | | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
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4M2U
 | | Carbonic Anhydrase II in complex with Dorzolamide | | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | | Deposit date: | 2013-08-05 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
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4MCD
 | | hinTrmD in complex with 5-PHENYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE | | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Lahiri, S. | | Deposit date: | 2013-08-21 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Selective Inhibitors of Bacterial t-RNA-(N(1)G37) Methyltransferase (TrmD) That Demonstrate Novel Ordering of the Lid Domain.
J.Med.Chem., 56, 2013
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4M6I
 | | Structure of the reduced, Zn-bound form of Mycobacterium tuberculosis peptidoglycan amidase Rv3717 | | Descriptor: | Peptidoglycan Amidase Rv3717, ZINC ION | | Authors: | Prigozhin, D.M, Mavrici, D, Huizar, J.P, Vansell, H.J, Alber, T, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2013-08-09 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.666 Å) | | Cite: | Structural and Biochemical Analyses of Mycobacterium tuberculosis N-Acetylmuramyl-L-alanine Amidase Rv3717 Point to a Role in Peptidoglycan Fragment Recycling.
J.Biol.Chem., 288, 2013
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4MAH
 | | Structure of Aspergillus oryzae AA11 Lytic Polysaccharide Monooxygenase with Zn | | Descriptor: | 1,2-ETHANEDIOL, AA11 Lytic Polysaccharide Monooxygenase, CHLORIDE ION, ... | | Authors: | Hemsworth, G.R, Henrissat, B, Walton, P.H, Davies, G.J. | | Deposit date: | 2013-08-16 | | Release date: | 2013-12-18 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery and characterization of a new family of lytic polysaccharide monooxygenases.
Nat.Chem.Biol., 10, 2014
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