3ZHP
| Human MST3 (STK24) in complex with MO25beta | Descriptor: | CALCIUM-BINDING PROTEIN 39-LIKE, SERINE/THREONINE-PROTEIN KINASE 24, SULFATE ION | Authors: | Elkins, J.M, Szklarz, M, Krojer, T, Mehellou, Y, Alessi, D.R, Chaikaud, A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2012-12-24 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insights Into the Activation of Mst3 by Mo25. Biochem.Biophys.Res.Commun., 431, 2013
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1SUM
| Crystal structure of a hypothetical protein at 2.0 A resolution | Descriptor: | CALCIUM ION, FE (III) ION, NICKEL (II) ION, ... | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-03-26 | Release date: | 2004-08-24 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a PhoU protein homologue: a new class of metalloprotein containing multinuclear iron clusters. J.Biol.Chem., 280, 2005
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1U0L
| Crystal structure of YjeQ from Thermotoga maritima | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Probable GTPase engC, ZINC ION | Authors: | Shin, D.H, Lou, Y, Jaru, J, Kim, R, Yokota, H, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-07-13 | Release date: | 2004-09-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of YjeQ from Thermotoga maritima contains a circularly permuted GTPase domain Proc.Natl.Acad.Sci.Usa, 101, 2004
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1S12
| Crystal structure of TM1457 | Descriptor: | ACETATE ION, hypothetical protein TM1457 | Authors: | Shin, D.H, Lou, Y, Jancarik, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-01-05 | Release date: | 2004-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of TM1457 from Thermotoga maritima. J.Struct.Biol., 152, 2005
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1SUW
| Crystal structure of a NAD kinase from Archaeoglobus fulgidus in complex with its substrate and product: Insights into the catalysis of NAD kinase | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable inorganic polyphosphate/ATP-NAD kinase | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-03-26 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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1XCO
| Crystal Structure of a Phosphotransacetylase from Bacillus subtilis in complex with acetylphosphate | Descriptor: | ACETYLPHOSPHATE, Phosphate acetyltransferase, SULFATE ION | Authors: | Xu, Q.S, Jancarik, J, Lou, Y, Yokota, H, Adams, P, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-09-02 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate J.STRUCT.FUNCT.GENOM., 6, 2005
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1Z0S
| Crystal structure of an NAD kinase from Archaeoglobus fulgidus in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2005-03-02 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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1Z0U
| Crystal structure of a NAD kinase from Archaeoglobus fulgidus bound by NADP | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable inorganic polyphosphate/ATP-NAD kinase, SULFATE ION | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2005-03-02 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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1Z0Z
| Crystal structure of a NAD kinase from Archaeoglobus fulgidus in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Probable inorganic polyphosphate/ATP-NAD kinase | Authors: | Liu, J, Lou, Y, Yokota, H, Adams, P.D, Kim, R, Kim, S.H, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2005-03-02 | Release date: | 2005-04-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structures of an NAD Kinase from Archaeoglobus fulgidus in Complex with ATP, NAD, or NADP J.Mol.Biol., 354, 2005
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4KXK
| Alanine-glyoxylate aminotransferase variant K390A/K391A in complex with the TPR domain of human Pex5p | Descriptor: | BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, SULFATE ION, ... | Authors: | Fodor, K, Lou, Y, Wilmanns, M. | Deposit date: | 2013-05-27 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes. Traffic, 16, 2015
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4KYO
| Alanine-glyoxylate aminotransferase variant K390A in complex with the TPR domain of human Pex5p | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, Peroxisomal targeting signal 1 receptor, ... | Authors: | Fodor, K, Lou, Y, Wilmanns, M. | Deposit date: | 2013-05-29 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand-Induced Compaction of the PEX5 Receptor-Binding Cavity Impacts Protein Import Efficiency into Peroxisomes. Traffic, 16, 2015
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3KF9
| Crystal structure of the SdCen/skMLCK complex | Descriptor: | CALCIUM ION, Caltractin, Myosin light chain kinase 2, ... | Authors: | Radu, L, Assairi, L, Blouquit, Y, Durand, D, Miron, S, Charbonnier, J.B, Craescu, C.T. | Deposit date: | 2009-10-27 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural features of the complexes formed by Scherffelia dubia centrin To be Published
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2A4J
| Solution structure of the C-terminal domain (T94-Y172) of the human centrin 2 in complex with a 17 residues peptide (P1-XPC) from xeroderma pigmentosum group C protein | Descriptor: | 17-mer peptide P1-XPC from DNA-repair protein complementing XP-C cells, Centrin 2 | Authors: | Yang, A, Miron, S, Mouawad, L, Duchambon, P, Blouquit, Y, Craescu, C.T. | Deposit date: | 2005-06-29 | Release date: | 2005-07-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Flexibility and plasticity of human centrin 2 binding to the xeroderma pigmentosum group C protein (XPC) from nuclear excision repair. Biochemistry, 45, 2006
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7O86
| 1.73A X-ray crystal structure of the conserved C-terminal (CCT) of human SPAK | Descriptor: | CALCIUM ION, MAGNESIUM ION, SODIUM ION, ... | Authors: | Elvers, K.T, Bax, B.D, Lipka-Lloyd, M, Mehellou, Y. | Deposit date: | 2021-04-14 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains. Chembiochem, 23, 2022
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7OKW
| 1.62A X-ray crystal structure of the conserved C-terminal (CCT) of human OSR1 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Bax, B.D, Elvers, K.T, Lipka-Lloyd, M, Mehellou, Y. | Deposit date: | 2021-05-18 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains. Chembiochem, 23, 2022
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1M39
| Solution structure of the C-terminal fragment (F86-I165) of the human centrin 2 in calcium saturated form | Descriptor: | Caltractin, isoform 1 | Authors: | Matei, E, Miron, S, Blouquit, Y, Duchambon, P, Durussel, P, Cox, J.A, Craescu, C.T. | Deposit date: | 2002-06-27 | Release date: | 2003-03-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | C-terminal half of human centrin 2 behaves like a regulatory EF-hand domain Biochemistry, 42, 2003
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2K2I
| NMR Solution structure of the C-terminal domain (T94-Y172) of the human centrin 2 in complex with a repeat sequence of human Sfi1 (R641-T660) | Descriptor: | Centrin-2, SFI1 peptide | Authors: | Martinez-Sanz, J, Assairi, L, Blouquit, Y, Duchambon, P, Mouawad, L, Craescu, C. | Deposit date: | 2008-04-02 | Release date: | 2009-02-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure, dynamics and thermodynamics of the human centrin 2/hSfi1 complex J.Mol.Biol., 395, 2010
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1ZMZ
| Solution structure of the N-terminal domain (M1-S98) of human centrin 2 | Descriptor: | Centrin-2 | Authors: | Yang, A, Miron, S, Duchambon, P, Assairi, L, Blouquit, Y, Craescu, C.T. | Deposit date: | 2005-05-11 | Release date: | 2006-04-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The N-terminal domain of human centrin 2 has a closed structure, binds calcium with a very low affinity, and plays a role in the protein self-assembly Biochemistry, 45, 2006
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2K9N
| Solution NMR structure of the R2R3 DNA binding domain of Myb1 protein from protozoan parasite Trichomonas vaginalis | Descriptor: | MYB24 | Authors: | Lou, Y, Wei, S, Rajasekaran, M, Chou, C, Hsu, H, Tai, J, Chen, C. | Deposit date: | 2008-10-19 | Release date: | 2009-03-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structural analysis of DNA recognition by a novel Myb1 DNA-binding domain in the protozoan parasite Trichomonas vaginalis. Nucleic Acids Res., 37, 2009
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4RFZ
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4RG0
| Crystal structure of BTK kinase domain complexed with 2-[8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methyl-propanenitrile | Descriptor: | 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2014-09-29 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold. Bioorg.Med.Chem.Lett., 25, 2015
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4RFY
| Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one | Descriptor: | 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2014-09-29 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold. Bioorg.Med.Chem.Lett., 25, 2015
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4OTR
| Crystal structure of BTK kinase domain complexed with 6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-(hydroxymethyl)phenyl]-8-fluoro-isoquinolin-1-one | Descriptor: | 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2014-02-14 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58, 2015
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4OT5
| Crystal structure of BTK kinase domain complexed with 4-tert-Butyl-N-(3-{8-[4-(4-methyl-piperazine-1-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide | Descriptor: | 4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2014-02-13 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58, 2015
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4OT6
| Crystal structure of BTK kinase domain complexed with 4-Methanesulfonyl-N-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide | Descriptor: | 4-(methylsulfonyl)-N-[3-(8-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}imidazo[1,2-a]pyrazin-6-yl)phenyl]benzamide, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2014-02-13 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58, 2015
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