5ML3
 
 | | The crystal structure of PDE6D in complex to Deltasonamide1 | | Descriptor: | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-[[2-(methylamino)pyrimidin-4-yl]methyl]-~{N}4-(piperidin-4-ylmethyl)benzene-1,4-disulfonamide | | Authors: | Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A. | | Deposit date: | 2016-12-06 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A PDE6 delta-KRas Inhibitor Chemotype with up to Seven H-Bonds and Picomolar Affinity that Prevents Efficient Inhibitor Release by Arl2.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
7TZK
 | | EPS8 SH3 Domain with NleH1 PxxDY Motif | | Descriptor: | Epidermal growth factor receptor kinase substrate 8, T3SS secreted effector NleH homolog | | Authors: | Grishin, A.M, Cygler, M. | | Deposit date: | 2022-02-15 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Targeting of microvillus protein Eps8 by the NleH effector kinases from enteropathogenic E. coli
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
6RTV
 | | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-glucuronoyl methylesterase, ... | | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | | Deposit date: | 2019-05-27 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
|
|
6RLE
 | | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97 | | Descriptor: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B.
J.Med.Chem., 63, 2020
|
|
6U1R
 | | SxtG an amidinotransferase from the Microseira wollei in Saxitoxin biosynthetic pathway | | Descriptor: | FORMIC ACID, SxtG | | Authors: | Mallik, L, Lukowski, A.L, Narayan, A.R.H, Koutmos, M. | | Deposit date: | 2019-08-16 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Substrate Promiscuity of a Paralytic Shellfish Toxin Amidinotransferase.
Acs Chem.Biol., 15, 2020
|
|
5MJJ
 | |
5K3Y
 | | Crystal structure of AuroraB/INCENP in complex with BI 811283 | | Descriptor: | Aurora kinase B-A, Inner centromere protein A, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide | | Authors: | Bader, G, Zahn, S.K, Zoephel, A. | | Deposit date: | 2016-05-20 | | Release date: | 2016-08-17 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
|
|
5XB3
 | |
5MKN
 | |
6OGK
 | | MeCP2 MBD in complex with DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*CP*TP*CP*CP*G)-3'), ... | | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-04-02 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain.
Biochim Biophys Acta Gene Regul Mech, 1862, 2019
|
|
7MTU
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, INOSINIC ACID, ... | | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-13 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P221
To Be Published
|
|
6OUM
 | |
5K76
 | | IRAK4 in complex with Compound 28 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | Authors: | Ferguson, A.D. | | Deposit date: | 2016-05-25 | | Release date: | 2017-12-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
|
|
6RWL
 | | SIVrcm intasome | | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*GP*GP*TP*AP*GP*AP*GP*AP*TP*TP*TP*TP*TP*CP*TP*TP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*AP*AP*GP*AP*AP*AP*AP*AP*TP*CP*TP*CP*TP*AP*CP*CP*A)-3'), Pol protein, ... | | Authors: | Cherepanov, P, Nans, A, Cook, N. | | Deposit date: | 2019-06-05 | | Release date: | 2020-02-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Structural basis of second-generation HIV integrase inhibitor action and viral resistance.
Science, 367, 2020
|
|
7MTX
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P176 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine, ... | | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-13 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P176
To Be Published
|
|
7RK9
 | |
6I0Z
 | | CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1 | | Descriptor: | Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide | | Authors: | Schuettelkopf, A.W. | | Deposit date: | 2018-10-27 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
5G56
 | | THE TETRA-MODULAR CELLULOSOMAL ARABINOXYLANASE CtXyl5A STRUCTURE AS REVEALED BY X-RAY CRYSTALLOGRAPHY | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6 | | Authors: | Bras, J.L.A, Gilbert, H.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2016-05-21 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The Mechanism by which Arabinoxylanases Can Recognise Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
|
|
6X6G
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with droperidol | | Descriptor: | 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-28 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
|
|
6EI3
 | | Crystal structure of auto inhibited POT family peptide transporter | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Proton-dependent oligopeptide transporter family protein | | Authors: | Newstead, S, Brinth, A, Vogeley, L, Caffrey, M. | | Deposit date: | 2017-09-17 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Proton movement and coupling in the POT family of peptide transporters.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
8DU4
 | | Complex between RbBP5-WDR5 and an H2B-ubiquitinated nucleosome | | Descriptor: | 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C. | | Deposit date: | 2022-07-26 | | Release date: | 2022-09-21 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
6HWL
 | | Glucosamine kinase in complex with glucosamine, ADP and inorganic phosphate | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Manso, J.A, Pereira, P.J.B. | | Deposit date: | 2018-10-12 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.148 Å) | | Cite: | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
|
|
7MJS
 | | Single-Particle Cryo-EM Structure of Major Facilitator Superfamily Domain containing 2A in complex with LPC-18:3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2AG3 Fab heavy chain, 2AG3 Fab light chain, ... | | Authors: | Cater, R.J, Chua, G.L, Erramilli, S.K, Keener, J.E, Choy, B.C, Tokarz, P, Chin, C.F, Quek, D.Q.Y, Kloss, B, Pepe, J.G, Parisi, G, Wong, B.H, Clarke, O.B, Marty, M.T, Kossiakoff, A.A, Khelashvili, G, Silver, D.L, Mancia, F. | | Deposit date: | 2021-04-20 | | Release date: | 2021-06-16 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural basis of omega-3 fatty acid transport across the blood-brain barrier.
Nature, 595, 2021
|
|
6X6I
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT543 | | Descriptor: | 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-28 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
|
|
7RBQ
 | | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-07-06 | | Release date: | 2021-08-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor
To Be Published
|
|
