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8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-21
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-17
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
6CPU
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BU of 6cpu by Molmil
Crystal structure of yeast caPDE2
Descriptor: MAGNESIUM ION, Phosphodiesterase, ZINC ION
Authors:Ke, H, Wang, y.
Deposit date:2018-03-14
Release date:2019-02-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Candida albicans Phosphodiesterase 2 and Implications for Its Biological Functions.
Biochemistry, 57, 2018
5UZT
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BU of 5uzt by Molmil
Structure of wild type pre-miR21 apical loop
Descriptor: pre-miR-21
Authors:Shortridge, M.D, Varani, G.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A Macrocyclic Peptide Ligand Binds the Oncogenic MicroRNA-21 Precursor and Suppresses Dicer Processing.
ACS Chem. Biol., 12, 2017
5UZZ
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BU of 5uzz by Molmil
Structure of wild type pre-miR21 apical loop
Descriptor: 14-mer Peptide, pre-miR21
Authors:Shortridge, M.D, Varani, G.
Deposit date:2017-02-27
Release date:2017-06-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Macrocyclic Peptide Ligand Binds the Oncogenic MicroRNA-21 Precursor and Suppresses Dicer Processing.
ACS Chem. Biol., 12, 2017
5WXY
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BU of 5wxy by Molmil
Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with L-aspartate
Descriptor: ASPARTIC ACID, McyF
Authors:Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z.
Deposit date:2017-01-09
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural insights into the catalysis and substrate specificity of cyanobacterial aspartate racemase McyF.
Biochem.Biophys.Res.Commun., 514, 2019
5WXX
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BU of 5wxx by Molmil
Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with citrate
Descriptor: CITRIC ACID, McyF
Authors:Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z.
Deposit date:2017-01-09
Release date:2018-01-17
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the catalysis and substrate specificity of cyanobacterial aspartate racemase McyF.
Biochem.Biophys.Res.Commun., 514, 2019
3KRJ
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BU of 3krj by Molmil
cFMS tyrosine kinase in complex with 4-Cyano-1H-imidazole-2-carboxylic acid (2-cyclohex-1-enyl-4-piperidin-4-yl-phenyl)-amide
Descriptor: 4-cyano-N-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1H-imidazole-2-carboxamide, ACETATE ION, Macrophage colony-stimulating factor 1 receptor, ...
Authors:Schubert, C.
Deposit date:2009-11-18
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of a Potent Class of Arylamide Colony-Stimulating Factor-1 Receptor Inhibitors Leading to Anti-inflammatory Clinical Candidate 4-Cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141).
J.Med.Chem., 54, 2011
5WXZ
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BU of 5wxz by Molmil
Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with D-aspartate
Descriptor: D-ASPARTIC ACID, McyF
Authors:Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z.
Deposit date:2017-01-09
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the catalysis and substrate specificity of cyanobacterial aspartate racemase McyF.
Biochem.Biophys.Res.Commun., 514, 2019
5XM8
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BU of 5xm8 by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme and Pb.
Descriptor: DNA (23-mer), DNA (36-MER), LEAD (II) ION, ...
Authors:Liu, H.H, Gan, J.H.
Deposit date:2017-05-13
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
7EOD
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BU of 7eod by Molmil
MITF HLHLZ Delta AKE
Descriptor: GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor
Authors:Li, P, Liu, Z, Fang, P, Wang, J.
Deposit date:2021-04-22
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
7F4N
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BU of 7f4n by Molmil
Crystal structure of SAH-bound MTA1-p1-p2 complex
Descriptor: MT-a70 family protein, S-ADENOSYL-L-HOMOCYSTEINE, Transmembrane protein, ...
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4R
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BU of 7f4r by Molmil
Crystal structure of MTA1
Descriptor: MT-a70 family protein
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4P
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BU of 7f4p by Molmil
Crystal structure of SAM-bound MTA1-p2 complex
Descriptor: MT-a70 family protein, S-ADENOSYLMETHIONINE, Transmembrane protein, ...
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4S
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BU of 7f4s by Molmil
Crystal structure of TthMTA1-PteMTA9 complex
Descriptor: MT-a70 family protein, MTA9
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4O
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BU of 7f4o by Molmil
Crystal structure of MTA1-p2 complex
Descriptor: MT-a70 family protein, Transmembrane protein, putative
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4Q
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BU of 7f4q by Molmil
Crystal structure of SAH-bound MTA1-p2 complex
Descriptor: MT-a70 family protein, S-ADENOSYL-L-HOMOCYSTEINE, Transmembrane protein, ...
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4T
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BU of 7f4t by Molmil
Crystal structure of SAM-bound TthMTA1-Ptep2 complex
Descriptor: MT-a70 family protein, Ptep2, S-ADENOSYLMETHIONINE
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.68 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4L
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BU of 7f4l by Molmil
Crystal structure of MTA1-p1-p2 complex
Descriptor: MT-a70 family protein, Transmembrane protein, putative, ...
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
7F4M
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BU of 7f4m by Molmil
Crystal structure of SAM-bound MTA1-p1-p2 complex
Descriptor: MT-a70 family protein, S-ADENOSYLMETHIONINE, Transmembrane protein, ...
Authors:Chen, J, Liu, L.
Deposit date:2021-06-21
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Structural basis for MTA1c-mediated DNA N6-adenine methylation
Nat Commun, 13, 2022
3HKS
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BU of 3hks by Molmil
Crystal structure of eukaryotic translation initiation factor eIF-5A2 from Arabidopsis thaliana
Descriptor: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 5A-2
Authors:Teng, Y.B, He, Y.X, Jiang, Y.L, Chen, Y.X, Zhou, C.Z.
Deposit date:2009-05-25
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Arabidopsis translation initiation factor eIF-5A2
Proteins, 77, 2009
6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
Descriptor: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
Deposit date:2018-06-15
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
6O9D
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BU of 6o9d by Molmil
Structure of the IRAK4 kinase domain with compound 5
Descriptor: Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O8U
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BU of 6o8u by Molmil
Crystal structure of IRAK4 in complex with compound 23
Descriptor: GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
Authors:Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J.
Deposit date:2019-03-12
Release date:2019-05-22
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O95
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BU of 6o95 by Molmil
Structure of the IRAK4 kinase domain with compound 41
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION
Authors:Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019

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