2KI2
 
 | | Solution Structure of ss-DNA Binding Protein 12RNP2 Precursor, HP0827(O25501_HELPY) form Helicobacter pylori | | Descriptor: | Ss-DNA binding protein 12RNP2 | | Authors: | Ma, C, Lee, J, Kim, J, Park, S, Kwon, A, Lee, B. | | Deposit date: | 2009-04-20 | | Release date: | 2009-10-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of HP0827 (O25501_HELPY) from Helicobacter pylori: model of the possible RNA-binding site
J.Biochem., 146, 2009
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2K91
 | | Enhancing the activity of insulin by stereospecific unfolding | | Descriptor: | Insulin | | Authors: | Hua, Q.X, Xu, B, Huang, K, Hu, S.Q, Nakarawa, S, Jia, W.H, Philips, N.F.P, Wittaker, L, Wittaker, J, Katsoyannis, P.G, Weiss, M.A. | | Deposit date: | 2008-09-29 | | Release date: | 2008-11-18 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | Enhancing the Activity of a Protein by Stereospecific Unfolding: CONFORMATIONAL LIFE CYCLE OF INSULIN AND ITS EVOLUTIONARY ORIGINS.
J.Biol.Chem., 284, 2009
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4MCN
 | | Human SOD1 C57S Mutant, Metal-free | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn] | | Authors: | Sea, K, Sohn, S.H, Durazo, A, Sheng, Y, Shaw, B, Cao, X, Taylor, A.B, Whitson, L.J, Holloway, S.P, Hart, P.J, Cabelli, D.E, Gralla, E.B, Valentine, J.S. | | Deposit date: | 2013-08-21 | | Release date: | 2014-08-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insights into the role of the unusual disulfide bond in copper-zinc superoxide dismutase.
J.Biol.Chem., 290, 2015
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4MBN
 | | REFINEMENT OF MYOGLOBIN AND CYTOCHROME C | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Takano, T. | | Deposit date: | 1988-01-14 | | Release date: | 1989-07-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Refinement of Myoglobin and Cytochrome C
Methods and Applications in Crystallographic Computing, 1984
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2KMO
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6VPH
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2KNF
 | | Solution structure and functional characterization of human plasminogen kringle 5 | | Descriptor: | Plasminogen | | Authors: | Battistel, M.D, Grishaev, A, An, S.A, Castellino, F.J, Llinas, M. | | Deposit date: | 2009-08-21 | | Release date: | 2009-10-27 | | Last modified: | 2021-10-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure and functional characterization of human plasminogen kringle 5.
Biochemistry, 48, 2009
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4MJV
 | | Influenza Neuraminidase in complex with a novel antiviral compound | | Descriptor: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, CALCIUM ION, Neuraminidase | | Authors: | Kerry, P.S. | | Deposit date: | 2013-09-04 | | Release date: | 2014-01-15 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4ML3
 | | X-ray structure of ComE D58A REC domain from Streptococcus pneumoniae | | Descriptor: | Response regulator | | Authors: | Boudes, M, Sanchez, D, Durand, D, Graille, M, van Tilbeurgh, H, Quevillon-Cheruel, S. | | Deposit date: | 2013-09-06 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural insights into the dimerization of the response regulator ComE from Streptococcus pneumoniae.
Nucleic Acids Res., 42, 2014
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6OYW
 | | ASK1 kinase domain in complex with Compound 11 | | Descriptor: | (19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase 5 | | Authors: | Marcotte, D.J. | | Deposit date: | 2019-05-15 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.
J.Med.Chem., 62, 2019
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2KE5
 | | Solution structure and dynamics of the small GTPase Ralb in its active conformation: significance for effector protein binding | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Ral-B | | Authors: | Fenwick, R, Prasannan, S, Campbell, L.J, Nietlispach, D, Evetts, K.A, Camonis, J, Mott, H.R, Owen, D. | | Deposit date: | 2009-01-23 | | Release date: | 2009-02-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of the small GTPase RalB in its active conformation: significance for effector protein binding
Biochemistry, 48, 2009
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4MM0
 | | Crystal Structure Analysis of the Putative Thioether Synthase SgvP Involved in the Tailoring Step of Griseoviridin | | Descriptor: | P450-like monooxygenase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhang, H, Huang, L, Yi, M, Cai, T, Zhang, H. | | Deposit date: | 2013-09-07 | | Release date: | 2014-09-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Analysis of SgvP: a Putative Thioether Synthase Involved in the Tailoring Step of Griseoviridin
To be Published
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2KG0
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6VPJ
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6P5P
 | | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | | Descriptor: | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | | Authors: | Hoffman, I.D, Skene, R.J. | | Deposit date: | 2019-05-30 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
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6P0I
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 1,2-ETHANEDIOL, 4-[(5-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, ACETATE ION, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2KB5
 | | Solution NMR Structure of Eosinophil Cationic Protein/RNase 3 | | Descriptor: | Eosinophil cationic protein | | Authors: | Rico, M, Bruix, M, Laurents, D.V, Santoro, J, Jimenez, M, Boix, E, Moussaoui, M, Nogues, M. | | Deposit date: | 2008-11-20 | | Release date: | 2009-06-23 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | The (1)H, (13)C, (15)N resonance assignment, solution structure, and residue level stability of eosinophil cationic protein/RNase 3 determined by NMR spectroscopy
Biopolymers, 91, 2009
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6P0L
 | | Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds. | | Descriptor: | 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O. | | Deposit date: | 2019-05-17 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4ML7
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2KMK
 | | Gfi-1 Zinc Fingers 3-5 complexed with DNA | | Descriptor: | DNA (5'-D(*CP*AP*TP*AP*AP*AP*TP*CP*AP*CP*TP*GP*CP*CP*TP*A)-3'), DNA (5'-D(*TP*AP*GP*GP*CP*AP*GP*TP*GP*AP*TP*TP*TP*AP*TP*G)-3'), ZINC ION, ... | | Authors: | Lee, S, Wu, Z. | | Deposit date: | 2009-07-30 | | Release date: | 2010-03-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Gfi-1 zinc domain bound to consensus DNA.
J.Mol.Biol., 397, 2010
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6P5M
 | | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent | | Descriptor: | 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one, Rho-associated protein kinase 2 | | Authors: | Hoffman, I.D, Skene, R.J. | | Deposit date: | 2019-05-30 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 Inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Antitumor Agent.
J.Med.Chem., 63, 2020
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2KMR
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4MPU
 | | Human beta-tryptase co-crystal structure with (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide | | Descriptor: | (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ... | | Authors: | White, A, Stein, A.J, Suto, R.K. | | Deposit date: | 2013-09-13 | | Release date: | 2015-03-18 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Target-Directed Self-Assembly of Homodimeric Drugs Against beta-Tryptase.
Acs Med.Chem.Lett., 9, 2018
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4MNV
 | | Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4MJH
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