1NW1
 
 | | Crystal Structure of Choline Kinase | | Descriptor: | CALCIUM ION, Choline kinase (49.2 kD) | | Authors: | Peisach, D, Gee, P, Kent, C, Xu, Z. | | Deposit date: | 2003-02-05 | | Release date: | 2003-06-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The Crystal Structure of Choline Kinase Reveals a Eukaryotic Protein Kinase Fold
Structure, 11, 2003
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1OTN
 | | Calcium-binding mutant of the Internalin B LRR domain | | Descriptor: | CALCIUM ION, Internalin B | | Authors: | Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P. | | Deposit date: | 2003-03-21 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
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1OTM
 | | Calcium-binding mutant of the internalin B LRR domain | | Descriptor: | internalin B | | Authors: | Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P. | | Deposit date: | 2003-03-21 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
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1OTO
 | | Calcium-binding mutant of the internalin B LRR domain | | Descriptor: | CALCIUM ION, Internalin B | | Authors: | Marino, M, Copp, J, Dramsi, S, Chapman, T, van der Geer, P, Cossart, P, Ghosh, P. | | Deposit date: | 2003-03-21 | | Release date: | 2004-03-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Characterization of the calcium-binding sites of Listeria monocytogenes InlB
Biochem.Biophys.Res.Commun., 316, 2004
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1LOY
 | | X-ray structure of the H40A/E58A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate | | Descriptor: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1 | | Authors: | Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S. | | Deposit date: | 2002-05-07 | | Release date: | 2002-08-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
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1LOW
 | | X-ray structure of the H40A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate | | Descriptor: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1 | | Authors: | Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S. | | Deposit date: | 2002-05-07 | | Release date: | 2002-08-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
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1LOV
 | | X-ray structure of the E58A mutant of Ribonuclease T1 complexed with 3'-guanosine monophosphate | | Descriptor: | CALCIUM ION, GUANOSINE-3'-MONOPHOSPHATE, Guanyl-specific ribonuclease T1 | | Authors: | Mignon, P, Steyaert, J, Loris, R, Geerlings, P, Loverix, S. | | Deposit date: | 2002-05-07 | | Release date: | 2002-08-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A nucleophile activation dyad in ribonucleases. A combined X-ray crystallographic/ab initio quantum chemical study
J.Biol.Chem., 277, 2002
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1R4F
 | | Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma vivax: Trp260Ala Mutant In Complex With 3-Deaza-Adenosine | | Descriptor: | 3-DEAZA-ADENOSINE, CALCIUM ION, IAG-nucleoside hydrolase | | Authors: | Versees, W, Loverix, S, Vandemeulebroucke, A, Geerlings, P, Steyaert, J. | | Deposit date: | 2003-10-06 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Leaving group activation by aromatic stacking: an alternative to general Acid catalysis.
J.Mol.Biol., 338, 2004
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5KRV
 | | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus in complex Arginine | | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ARGININE, ... | | Authors: | Ussin, N, Abdulsalam, R.W, Magee, P, Chruszcz, M. | | Deposit date: | 2016-07-07 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
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8DKN
 | | PPARg bound to T0070907 and Co-R peptide | | Descriptor: | 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ... | | Authors: | Larsen, N.A, Tsai, J. | | Deposit date: | 2022-07-05 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DSZ
 | | PPARg bound to partial agonist H3B-487 | | Descriptor: | (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Larsen, N.A. | | Deposit date: | 2022-07-24 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DKV
 | | PPARg bound to JTP-426467 and Co-R peptide | | Descriptor: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ... | | Authors: | Larsen, N.A. | | Deposit date: | 2022-07-06 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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8DSY
 | | PPARg bound to inverse agonist H3B-343 | | Descriptor: | Peroxisome proliferator-activated receptor gamma, {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | | Authors: | Larsen, N.A. | | Deposit date: | 2022-07-24 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
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7OPI
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7ONB
 | | Structure of the U2 5' module of the A3'-SSA complex | | Descriptor: | MINX, PHD finger-like domain-containing protein 5A, RNU2, ... | | Authors: | Cretu, C, Pena, V. | | Deposit date: | 2021-05-25 | | Release date: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
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7OMF
 | | Structure of a minimal SF3B core in complex with sudemycin D6 (form I) | | Descriptor: | PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ... | | Authors: | Cretu, C, Pena, V. | | Deposit date: | 2021-05-21 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
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6DFL
 | | WaaP in complex with acyl carrier protein | | Descriptor: | Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate | | Authors: | Chopra, R, Vash, B. | | Deposit date: | 2018-05-15 | | Release date: | 2019-04-03 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
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7B0I
 | | Structure of a minimal SF3B core in complex with spliceostatin A (form II) | | Descriptor: | PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3,Splicing factor 3B subunit 3,Splicing factor 3B subunit 3, ... | | Authors: | Cretu, C, Pena, V. | | Deposit date: | 2020-11-19 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
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7B9C
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7B92
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7B91
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7KIA
 | | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | | Descriptor: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | | Deposit date: | 2020-10-23 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
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7KIE
 | | Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3 | | Descriptor: | CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ... | | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | | Deposit date: | 2020-10-23 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Acs Med.Chem.Lett., 12, 2021
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4UMX
 | | IDH1 R132H in complex with cpd 1 | | Descriptor: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | | Authors: | Mathieu, M, Marquette, J.P. | | Deposit date: | 2014-05-22 | | Release date: | 2014-11-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
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4UMY
 | | IDH1 R132H in complex with cpd 1 | | Descriptor: | GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | McLean, L, Zhang, Y, Mathieu, M. | | Deposit date: | 2014-05-22 | | Release date: | 2014-11-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
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