4ERZ
 
 | | X-ray structure of WDR5-MLL4 Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-21 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
|
|
4EWR
 | | X-ray structure of WDR5-SETd1a Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase SETD1A, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-27 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
|
|
2LSL
 | | Solution structure of the C-terminal domain of Tetrahymena telomerase protein p65 | | Descriptor: | Telomerase associated protein p65 | | Authors: | Singh, M, Wang, Z, Koo, B, Patel, A, Cascio, D, Collins, K, Feigon, J. | | Deposit date: | 2012-05-01 | | Release date: | 2012-06-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Telomerase RNA Recognition and RNP Assembly by the Holoenzyme La Family Protein p65.
Mol.Cell, 47, 2012
|
|
2J96
 | | The E-configuration of alfa-Phycoerythrocyanin | | Descriptor: | PHYCOERYTHROCYANIN ALPHA CHAIN, PHYCOVIOLOBILIN | | Authors: | Schmidt, M, Patel, A, Zhao, Y, Reuter, W. | | Deposit date: | 2006-11-02 | | Release date: | 2007-01-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Basis for the Photochemistry of Alfa-Phycoerythrocyanin
Biochemistry, 46, 2007
|
|
5UZ8
 | | Crystal Structure of Mouse Cadherin-23 EC22-24 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Cadherin-23, ... | | Authors: | Patel, A, Jaiganesh, A, Sotomayor, M. | | Deposit date: | 2017-02-25 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness.
Structure, 26, 2018
|
|
5VVM
 | |
7LHZ
 | | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | | Descriptor: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | | Authors: | Noeske, J, Shu, W, Bellamacina, C. | | Deposit date: | 2021-01-26 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
|
|
6WAA
 | | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ... | | Authors: | Noeske, J, Shu, W, Bellamacina, C. | | Deposit date: | 2020-03-24 | | Release date: | 2020-07-15 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
|
|
5KHM
 | | The first BET bromodomain of BRD4 bound to compound 13 in a bivalent manner | | Descriptor: | (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Patel, J. | | Deposit date: | 2016-06-15 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153).
J.Med.Chem., 59, 2016
|
|
9AV9
 | | R2-state HbG-Makassar hemoglobin | | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Feliciano, P.R, Lee, S.J. | | Deposit date: | 2024-03-01 | | Release date: | 2024-12-11 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Base editing HbS to HbG-Makassar improves hemoglobin function supporting its use in sickle cell disease.
Nat Commun, 16, 2025
|
|
9AYZ
 | | T-state HbG Makassar hemoglobin | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Feliciano, P.R, Lee, S.J. | | Deposit date: | 2024-03-09 | | Release date: | 2024-12-11 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Base editing HbS to HbG-Makassar improves hemoglobin function supporting its use in sickle cell disease.
Nat Commun, 16, 2025
|
|
6JHU
 | | Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with Biotinyl-5-AMP | | Descriptor: | BIOTINYL-5-AMP, Biotin/lipoate protein ligase-like protein, SULFATE ION | | Authors: | Rajak, M, Patel, A, Sundd, M. | | Deposit date: | 2019-02-19 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Leishmania major biotin protein ligase forms a unique cross-handshake dimer
Acta Crystallogr.,Sect.D, 77, 2021
|
|
4W5S
 | | Tankyrase in complex with compound | | Descriptor: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | | Authors: | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-18 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
|
|
4XRT
 | | Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway | | Descriptor: | FORMIC ACID, StfQ Aromatase/Cyclase | | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | | Deposit date: | 2015-01-21 | | Release date: | 2015-12-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4XRW
 | | Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL | | Authors: | Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W. | | Deposit date: | 2015-01-21 | | Release date: | 2015-12-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
9CSF
 | |
9CSH
 | |
4W6E
 | | Human Tankyrase 1 with small molecule inhibitor | | Descriptor: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | Authors: | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-20 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
|
|
7NWK
 | | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | | Authors: | Collie, G.W, Ferguson, A.D. | | Deposit date: | 2021-03-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement.
J.Med.Chem., 64, 2021
|
|
8P8E
 | |
9ERZ
 | |
6FH5
 | | PI3Kg IN COMPLEX WITH Compound 7 | | Descriptor: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J, Barlaam, B. | | Deposit date: | 2018-01-12 | | Release date: | 2019-01-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors
To Be Published
|
|
6WK1
 | | SETD3 in Complex with an Actin Peptide with His73 Replaced with Methionine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | | Authors: | Dai, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-04-15 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Characterization of SETD3 methyltransferase-mediated protein methionine methylation.
J.Biol.Chem., 295, 2020
|
|
5KH5
 | |
5KH4
 | |
