7LGS
 
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4QMY
 | | MST3 IN COMPLEX WITH STAUROSPORINE | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE 24, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.883 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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2O6E
 | | Structure of native rTp34 from Treponema pallidum from zinc-soaked crystals | | Descriptor: | 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ... | | Authors: | Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V. | | Deposit date: | 2006-12-07 | | Release date: | 2006-12-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin.
J.Biol.Chem., 282, 2007
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2XN1
 | | Structure of alpha-galactosidase from Lactobacillus acidophilus NCFM with TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-GALACTOSIDASE, GLYCEROL | | Authors: | Fredslund, F, Abou Hachem, M, Larsen, R.J, Sorensen, P.G, Lo Leggio, L, Svensson, B. | | Deposit date: | 2010-07-30 | | Release date: | 2011-08-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Alpha-Galactosidase from Lactobacillus Acidophilus Ncfm: Insight Into Tetramer Formation and Substrate Binding.
J.Mol.Biol., 412, 2011
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6N6O
 | | Crystal structure of the human TTK in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ... | | Authors: | Fenalti, G. | | Deposit date: | 2018-11-26 | | Release date: | 2019-05-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
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6N77
 | | Structure of the human JAK1 kinase domain with compound 15 | | Descriptor: | GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lupardus, P.J, Brown, D. | | Deposit date: | 2018-11-27 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
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4QMT
 | | MST3 in complex with HESPERADIN | | Descriptor: | 1,2-ETHANEDIOL, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, Serine/threonine-protein kinase 24 | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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2OCA
 | | The crystal structure of T4 UvsW | | Descriptor: | ATP-dependent DNA helicase uvsW | | Authors: | Kerr, I.D, White, S.W. | | Deposit date: | 2006-12-20 | | Release date: | 2007-10-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic and NMR Analyses of UvsW and UvsW.1 from Bacteriophage T4.
J.Biol.Chem., 282, 2007
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6N3E
 | | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4 | | Descriptor: | FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ... | | Authors: | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2018-11-15 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.893 Å) | | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
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4QSB
 | | Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2014-07-03 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII
Plos One, 9, 2014
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1U1C
 | | Structure of E. coli uridine phosphorylase complexed to 5-benzylacyclouridine (BAU) | | Descriptor: | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Bu, W, Settembre, E.C, Ealick, S.E. | | Deposit date: | 2004-07-15 | | Release date: | 2005-07-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for inhibition of Escherichia coli uridine phosphorylase by 5-substituted acyclouridines.
Acta Crystallogr.,Sect.D, 61, 2005
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3NNT
 | | Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate. | | Descriptor: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-06-24 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
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4QY9
 | | X-ray structure of the adduct between hen egg white lysozyme and Auoxo3, a cytotoxic gold(III) compound | | Descriptor: | 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... | | Authors: | Russo Krauss, I, Merlino, A. | | Deposit date: | 2014-07-24 | | Release date: | 2014-11-05 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Interactions of gold-based drugs with proteins: the structure and stability of the adduct formed in the reaction between lysozyme and the cytotoxic gold(iii) compound Auoxo3.
Dalton Trans, 43, 2014
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4LYN
 | | Crystal structure of cyclin-dependent kinase 2 (cdk2-wt) complex with (2s)-n-(5-(((5-tert-butyl-1,3-oxazol-2-yl)methyl)sulfanyl)-1,3-thiazol-2-yl)-2-phenylpropanamide | | Descriptor: | (2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide, Cyclin-dependent kinase 2 | | Authors: | Sack, J.S. | | Deposit date: | 2013-07-31 | | Release date: | 2013-10-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Aminothiazole Inhibitors of Cyclin-Dependent Kinase 2: Synthesis, X-Ray Crystallographic Analysis, and Biological Activities
J.Med.Chem., 45, 2002
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4LZD
 | | Human DNA polymerase mu- Apoenzyme | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA-directed DNA/RNA polymerase mu, ... | | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | | Deposit date: | 2013-07-31 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
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3R2Y
 | | MK2 kinase bound to Compound 1 | | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MALONATE ION, MAP kinase-activated protein kinase 2 | | Authors: | Oubrie, A, Leonard, P. | | Deposit date: | 2011-03-15 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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4IJQ
 | | Human hypoxanthine-guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3-diyl)bis(oxy)]bis(methylene))diphosphonic acid | | Descriptor: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Guddat, L.W, Keough, D.T, Hockova, D. | | Deposit date: | 2012-12-22 | | Release date: | 2013-03-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity
J.Med.Chem., 56, 2013
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1OWN
 | | DATA3:DNA photolyase / received X-rays dose 4.8 exp15 photons/mm2 | | Descriptor: | Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R. | | Deposit date: | 2003-03-28 | | Release date: | 2004-04-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
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3V8H
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3R0X
 | | Crystal structure of Selenomethionine incorporated apo D-serine deaminase from Salmonella tyhimurium | | Descriptor: | 1,2-ETHANEDIOL, D-serine dehydratase, SODIUM ION, ... | | Authors: | Bharath, S.R, Shveta, B, Savithri, H.S, Murthy, M.R.N. | | Deposit date: | 2011-03-09 | | Release date: | 2011-06-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structures of open and closed forms of D-serine deaminase from Salmonella typhimurium - implications on substrate specificity and catalysis
Febs J., 2011
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2AHS
 | | Crystal Structure of the Catalytic Domain of Human Tyrosine Receptor Phosphatase Beta | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Receptor-type tyrosine-protein phosphatase beta, ... | | Authors: | Ugochukwu, E, Eswaran, J, Barr, A, Gileadi, O, Sobott, F, Burgess, N, Ball, L, Bray, J, von Delft, F, Debreczeni, J, Bunkoczi, G, Turnbull, A, Das, S, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-28 | | Release date: | 2005-08-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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1OZ1
 | | P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR | | Descriptor: | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14 | | Authors: | Lovejoy, B, Villasenor, A, Browner, M, Dunten, P. | | Deposit date: | 2003-04-07 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
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7KQ8
 | | Structure of iron bound MEMO1 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | | Authors: | Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y. | | Deposit date: | 2020-11-13 | | Release date: | 2021-11-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | MEMO1 binds iron and modulates iron homeostasis in cancer cells.
Elife, 13, 2024
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4PR0
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N3 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-03-05 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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2XHS
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