7UE3
 
 | | PANK3 complex structure with compound PZ-3804 | | Descriptor: | 1,2-ETHANEDIOL, 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile, MAGNESIUM ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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6AOK
 | | Crystal structure of Legionella pneumophila effector Ceg4 with N-terminal TEV protease cleavage sequence | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ceg4, ... | | Authors: | Stogios, P.J, Cuff, M.E, Nocek, B, Evdokimova, E, Egorova, O, Yim, V, Di Leo, R, Savchenko, A. | | Deposit date: | 2017-08-16 | | Release date: | 2018-01-10 | | Last modified: | 2018-03-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | TheLegionella pneumophilaeffector Ceg4 is a phosphotyrosine phosphatase that attenuates activation of eukaryotic MAPK pathways.
J. Biol. Chem., 293, 2018
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1D9K
 | | CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ... | | Authors: | Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H. | | Deposit date: | 1999-10-28 | | Release date: | 1999-12-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The crystal structure of a T cell receptor in complex with peptide and MHC class II.
Science, 286, 1999
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1WA3
 | | Mechanism of the Class I KDPG aldolase | | Descriptor: | 2-KETO-3-DEOXY-6-PHOSPHOGLUCONATE ALDOLASE, PYRUVIC ACID, SULFATE ION | | Authors: | Fullerton, S.W.B, Griffiths, J.S, Merkel, A.B, Wymer, N.J, Hutchins, M.J, Fierke, C.A, Toone, E.J, Naismith, J.H. | | Deposit date: | 2004-10-22 | | Release date: | 2005-01-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
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2WTD
 | | Crystal structure of Chk2 in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE, NITRATE ION, ... | | Authors: | Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I. | | Deposit date: | 2009-09-15 | | Release date: | 2009-12-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
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8VJC
 | | Cryo-EM structure of short form insulin receptor (IR-A) with three IGF2 bound, asymmetric conformation. | | Descriptor: | Insulin-like growth factor II, Isoform Short of Insulin receptor | | Authors: | An, W, Hall, C, Li, J, Huang, A, Wu, J, Park, J, Bai, X.C, Choi, E. | | Deposit date: | 2024-01-06 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Activation of the insulin receptor by insulin-like growth factor 2.
Nat Commun, 15, 2024
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7UE7
 | | PANK3 complex structure with compound PZ-3883 | | Descriptor: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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8OG2
 | | Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A | | Descriptor: | COENZYME A, SODIUM ION, SULFATE ION, ... | | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | | Deposit date: | 2023-03-17 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A
To Be Published
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1E2O
 | | CATALYTIC DOMAIN FROM DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE | | Descriptor: | DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE, SULFATE ION | | Authors: | Knapp, J.E, Mitchell, D.T, Yazdi, M.A, Ernst, S.R, Reed, L.J, Hackert, M.L. | | Deposit date: | 1998-05-26 | | Release date: | 1998-12-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of the truncated cubic core component of the Escherichia coli 2-oxoglutarate dehydrogenase multienzyme complex.
J.Mol.Biol., 280, 1998
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5IFE
 | | Crystal structure of the human SF3b core complex | | Descriptor: | PHD finger-like domain-containing protein 5A, POTASSIUM ION, Splicing factor 3B subunit 1, ... | | Authors: | Cretu, C, Dybkov, O, De Laurentiis, E, Will, C.L, Luhrmann, R, Pena, V. | | Deposit date: | 2016-02-25 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Molecular Architecture of SF3b and Structural Consequences of Its Cancer-Related Mutations.
Mol.Cell, 64, 2016
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2X57
 | | Crystal structure of the extracellular domain of human Vasoactive intestinal polypeptide receptor 2 | | Descriptor: | VASOACTIVE INTESTINAL POLYPEPTIDE RECEPTOR 2 | | Authors: | Pike, A.C.W, Barr, A.J, Quigley, A, Burgess Brown, N, de Riso, A, Bullock, A, Berridge, G, Muniz, J.R.C, Chaikaud, A, Vollmar, M, Krojer, T, Ugochukwu, E, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P. | | Deposit date: | 2010-02-05 | | Release date: | 2010-03-09 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Extracellular Domain of Human Vasoactive Intestinal Polypeptide Receptor 2
To be Published
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4RXI
 | | Structure of C-terminal domain of uncharacterized protein from Legionella pneumophila | | Descriptor: | hypothetical protein lpg0944 | | Authors: | Cuff, M, Nocek, B, Evdokimova, E, Egorova, O, Joachimiak, A, Ensminger, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-12-11 | | Release date: | 2015-05-06 | | Last modified: | 2017-01-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol Syst Biol, 12, 2016
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6AWP
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6EZ3
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6AWO
 | | X-ray structure of the ts3 human serotonin transporter complexed with sertraline at the central site | | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, ... | | Authors: | Coleman, J.A, Gouaux, E. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.534 Å) | | Cite: | Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Nat. Struct. Mol. Biol., 25, 2018
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8Q9P
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC5 deacetylase binding motif | | Descriptor: | HDAC5 (histone deacetylase 5) binding motif peptide: TRP-GLY-SER-GLY-GLU-VAL-LYS-LEU-ARG-LEU-GLN-GLU-PHE-LEU-LEU-SER-LYS-SER, MADS box dsDNA fw: AACTATTTATAAGA, MADS box dsNA rev:TCTTATAAATAGTT, ... | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-08-20 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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7UE8
 | | PANK3 complex structure with compound PZ-3890 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... | | Authors: | White, S.W, Yun, M, Lee, R.E. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia.
J Inherit Metab Dis, 46, 2023
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1W7F
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1P8P
 | | Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I. | | Descriptor: | Arginase 1, MANGANESE (II) ION | | Authors: | Cama, E, Emig, F.A, Ash, D.E, Christianson, D.W. | | Deposit date: | 2003-05-07 | | Release date: | 2003-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional importance of first-shell metal ligands in the binuclear
manganese cluster of arginase I
Biochemistry, 42, 2003
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7UGF
 | | First bromodomain of BRD4 liganded with BMS-536924 | | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2022-03-24 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
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7UG1
 | | CDK2 liganded with para chloro ANS | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-chloroanilino)naphthalene-1-sulfonic acid, Cyclin-dependent kinase 2, ... | | Authors: | Schonbrunn, E, Martin, M. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Allosteric inhibitors of CDK2
To Be Published
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7JT1
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7UG5
 | | Second bromodomain of BRD3 liganded with BMS-536924 | | Descriptor: | (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 3 | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
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7UFZ
 | | Crystal structure of TDP1 complexed with compound XZ768 | | Descriptor: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.559 Å) | | Cite: | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
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4Y7Y
 | | Yeast 20S proteasome in complex with Ac-LAA-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAA-ep, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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