8QE2
 
 | | Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21 | | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M. | | Deposit date: | 2023-08-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.109 Å) | | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
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8QE0
 | | Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12 | | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M. | | Deposit date: | 2023-08-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
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8QE1
 | | Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15 | | Descriptor: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M. | | Deposit date: | 2023-08-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.095 Å) | | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
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8QDZ
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8QE3
 | | Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31 | | Descriptor: | 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Schimpl, M. | | Deposit date: | 2023-08-30 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.089 Å) | | Cite: | Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
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8QDY
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5BRN
 | | Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate | | Descriptor: | (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | | Deposit date: | 2015-05-31 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
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5BSK
 | | Human HGPRT in complex with (S)-HPEPG, an acyclic nucleoside phosphonate | | Descriptor: | (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | | Deposit date: | 2015-06-02 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
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1CYN
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2OOW
 | | MIF Bound to a Fluorinated OXIM Derivative | | Descriptor: | 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-26 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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2OOZ
 | | Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group) | | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-26 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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8QPD
 | | Structure of thioredoxin m from pea | | Descriptor: | Thioredoxin M-type, chloroplastic | | Authors: | Neira, J.L, Camara Artigas, A. | | Deposit date: | 2023-10-01 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional solution structure, dynamics and binding of thioredoxin m from Pisum sativum.
Int.J.Biol.Macromol., 262, 2024
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2OOH
 | | Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11 | | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, Macrophage migration inhibitory factor, ... | | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | | Deposit date: | 2007-01-25 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
J.Biol.Chem., 282, 2007
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6FER
 | | Crystal Structure of human DDR2 kinase in complex with 2-[4,5-difluoro-2-oxo-1'-(1H-pyrazolo[3,4-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide | | Descriptor: | 2-[4,5-bis(fluoranyl)-2-oxidanylidene-1'-(1~{H}-pyrazolo[3,4-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide, Discoidin domain-containing receptor 2 | | Authors: | Stihle, M, Richter, H, Benz, J, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2018-01-03 | | Release date: | 2018-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | DNA-Encoded Library-Derived DDR1 Inhibitor Prevents Fibrosis and Renal Function Loss in a Genetic Mouse Model of Alport Syndrome.
Acs Chem.Biol., 14, 2019
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4M3L
 | | Crystal Structure of the coiled coil domain of MuRF1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, E3 ubiquitin-protein ligase TRIM63, ... | | Authors: | Mayans, O, Franke, B. | | Deposit date: | 2013-08-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis for the fold organization and sarcomeric targeting of the muscle atrogin MuRF1.
Open Biol, 4, 2014
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1K8F
 | | CRYSTAL STRUCTURE OF THE HUMAN C-TERMINAL CAP1-ADENYLYL CYCLASE ASSOCIATED PROTEIN | | Descriptor: | ADENYLYL CYCLASE-ASSOCIATED PROTEIN | | Authors: | Patskovsky, Y.V, Chance, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2001-10-24 | | Release date: | 2003-07-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the actin binding domain of the cyclase-associated protein.
Biochemistry, 43, 2004
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6Z8L
 | | Alpha-Amylase in complex with probe fragments | | Descriptor: | CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ... | | Authors: | Adam, S, Koehnke, J. | | Deposit date: | 2020-06-02 | | Release date: | 2020-12-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.40000367 Å) | | Cite: | Enhancing glycan stability via site-selective fluorination: modulating substrate orientation by molecular design.
Chem Sci, 12, 2020
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5OP0
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4COS
 | | Crystal structure of the PHD-Bromo-PWWP cassette of human PRKCBP1 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, PROTEIN KINASE C-BINDING PROTEIN 1, ZINC ION | | Authors: | Krojer, T, Savitsky, P, Newman, J.A, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Filippakopoulos, P. | | Deposit date: | 2014-01-30 | | Release date: | 2014-03-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Multivalent Histone and DNA Engagement by a PHD/BRD/PWWP Triple Reader Cassette Recruits ZMYND8 to K14ac-Rich Chromatin.
Cell Rep, 17, 2016
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3NY6
 | | Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor V30 | | Descriptor: | 2-[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide, Cholix toxin, GLYCEROL, ... | | Authors: | Merrill, A.R, Jorgensen, R. | | Deposit date: | 2010-07-14 | | Release date: | 2010-12-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Newly discovered and characterized antivirulence compounds inhibit bacterial mono-ADP-ribosyltransferase toxins.
Antimicrob.Agents Chemother., 55, 2011
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7SCO
 | | Structure of H1 influenza hemagglutinin bound to Fab 310-39G10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 310-39G10 Fab, ... | | Authors: | Torrents de la Pena, A, Ward, A.B. | | Deposit date: | 2021-09-28 | | Release date: | 2022-08-24 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Allelic polymorphism controls autoreactivity and vaccine elicitation of human broadly neutralizing antibodies against influenza virus.
Immunity, 55, 2022
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7SCN
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9EYX
 | | Human PRMT5 in complex with AZ compound 28 | | Descriptor: | (3~{S})-2-[(5-azanyl-6-fluoranyl-1~{H}-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoranyl-1'-[(4-fluorophenyl)methyl]spiro[isoindole-3,3'-pyrrolidine]-1,2'-dione, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | | Authors: | Debreczeni, J. | | Deposit date: | 2024-04-09 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
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9EYV
 | | Human PRMT5 in complex with AZ compound 12 | | Descriptor: | (1~{S})-~{N}-[(4-fluorophenyl)methyl]-3-oxidanylidene-2-(1~{H}-pyrrolo[3,2-b]pyridin-2-ylmethyl)-1~{H}-isoindole-1-carboxamide, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein WDR77, ... | | Authors: | Debreczeni, J. | | Deposit date: | 2024-04-09 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery and In Vivo Efficacy of AZ-PRMT5i-1, a Novel PRMT5 Inhibitor with High MTA Cooperativity.
J.Med.Chem., 67, 2024
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1TNQ
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