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8OPS
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BU of 8ops by Molmil
Human terminal uridylyltransferase 7 (TUT7/ZCCHC6) bound with pre-let7g miRNA and Lin28A - complex 1
Descriptor: Protein lin-28 homolog A, RNA (71-MER) Let7g, Terminal uridylyltransferase 7, ...
Authors:Yi, G, Ye, M, Gilbert, R.J.
Deposit date:2023-04-08
Release date:2024-07-24
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structural basis for activity switching in polymerases determining the fate of let-7 pre-miRNAs.
Nat.Struct.Mol.Biol., 31, 2024
8OPT
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BU of 8opt by Molmil
Human terminal uridylyltransferase 7 (TUT7/ZCCHC6) bound with pre-let7g miRNA and Lin28A - complex 2
Descriptor: Protein lin-28 homolog A, RNA (53-MER), Terminal uridylyltransferase 7, ...
Authors:Yi, G, Ye, M, Gilbert, R.J.
Deposit date:2023-04-08
Release date:2024-07-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural basis for activity switching in polymerases determining the fate of let-7 pre-miRNAs.
Nat.Struct.Mol.Biol., 31, 2024
8INH
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BU of 8inh by Molmil
ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase
Descriptor: Glycosyltransferase, URIDINE-5'-DIPHOSPHATE
Authors:Wang, Z.L, Wang, H.D, Li, F.D, Ye, M.
Deposit date:2023-03-09
Release date:2023-04-19
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di- O -glycosyltransferase from Ziziphus jujuba var. spinosa.
Chem Sci, 14, 2023
2LMZ
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BU of 2lmz by Molmil
Solution NMR structure of the novel conotoxin im23a from Conus imperialis
Descriptor: Conotoxin im17a
Authors:Khoo, K.K, Galea, C.A, Boonyalai, N, Norton, R.S.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A helical conotoxin from Conus imperialis has a novel cysteine framework and defines a new superfamily.
J.Biol.Chem., 287, 2012
8EBO
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BU of 8ebo by Molmil
Homopurine parallel G-quadruplex from human chromosome 7 stabilized by K+ ions
Descriptor: COBALT (III) ION, DNA (5'-D(*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*AP*AP*AP*GP*GP*GP*GP*A)-3'), N-METHYLMESOPORPHYRIN, ...
Authors:Chen, E.V, Yatsunyk, L.A.
Deposit date:2022-08-31
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Homopurine guanine-rich sequences in complex with N-methyl mesoporphyrin IX form parallel G-quadruplex dimers and display a unique symmetry tetrad.
Bioorg.Med.Chem., 77, 2022
8QNI
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BU of 8qni by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
Descriptor: 2-[[(2~{S})-2-methylmorpholin-4-yl]methyl]-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNG
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BU of 8qng by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)
Descriptor: 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8QNH
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BU of 8qnh by Molmil
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
Descriptor: 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ...
Authors:Schimpl, M.
Deposit date:2023-09-26
Release date:2023-11-22
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
Descriptor: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
Authors:Deller, M.C, Epling, L.B.
Deposit date:2023-11-02
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
4C61
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BU of 4c61 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J.A, Green, I, Pollard, H, Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
4C62
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BU of 4c62 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J, Green, I, Pollard, H, Howard, T.
Deposit date:2013-09-17
Release date:2014-01-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
6LFZ
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BU of 6lfz by Molmil
Crystal structure of SbCGTb in complex with UDPG
Descriptor: SbCGTb, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Gao, H.M, Yun, C.H.
Deposit date:2019-12-04
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.866 Å)
Cite:Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LF6
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BU of 6lf6 by Molmil
Crystal structure of ZmCGTa in complex with UDP
Descriptor: UDP-glycosyltransferase 708A6, URIDINE-5'-DIPHOSPHATE
Authors:Gao, H.M, Yun, C.H.
Deposit date:2019-11-29
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LG1
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BU of 6lg1 by Molmil
Crystal structure of LpCGTa in complex with UDP
Descriptor: LpCGTa, URIDINE-5'-DIPHOSPHATE
Authors:Gao, H.M, Yun, C.H.
Deposit date:2019-12-04
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.047 Å)
Cite:Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
6LG0
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BU of 6lg0 by Molmil
Crystal structure of SbCGTa in complex with UDP
Descriptor: SbCGTa, URIDINE-5'-DIPHOSPHATE
Authors:Gao, H.M, Yun, C.H.
Deposit date:2019-12-04
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
2XA4
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BU of 2xa4 by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: 5-CHLORO-N2-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHYL]-N4-(5-METHYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J, Green, I, Pollard, H, Howard, T, Mott, R.
Deposit date:2010-03-26
Release date:2010-12-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of 5-Chloro-N2-[(1S)-1-(5-Fluoropyrimidin-2-Yl) Ethyl]-N4-(5-Methyl-1H-Pyrazol-3-Yl)Pyrimidine-2,4-Diamine (Azd1480) as a Novel Inhibitor of the Jak/Stat Pathway
J.Med.Chem., 54, 2011
5G06
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BU of 5g06 by Molmil
Cryo-EM structure of yeast cytoplasmic exosome
Descriptor: EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ...
Authors:Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W.
Deposit date:2016-03-17
Release date:2016-06-15
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryoem Structure of Yeast Cytoplasmic Exosome Complex.
Cell Res., 26, 2016
4BB4
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BU of 4bb4 by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
Deposit date:2012-09-19
Release date:2013-02-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
5E1E
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BU of 5e1e by Molmil
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
Descriptor: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1
Authors:Ferguson, A.D.
Deposit date:2015-09-29
Release date:2015-11-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3ZMM
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BU of 3zmm by Molmil
Inhibitors of Jak2 Kinase domain
Descriptor: 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE, ACETYL GROUP, TYROSINE-PROTEIN KINASE JAK2
Authors:Read, J, Green, I, Pollard, H, Howard, T, Mott, R.
Deposit date:2013-02-11
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Novel Jak2-Stat Pathway Inhibitors with Extended Residence Time on Target.
Bioorg.Med.Chem.Lett., 23, 2013
8QUD
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BU of 8qud by Molmil
Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5
Descriptor: (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B.
Deposit date:2023-10-16
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
8QUC
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BU of 8quc by Molmil
Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT1
Descriptor: (5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G, Large, C, Lakshminaraya, B, Williams, E, Sauer, D.B.
Deposit date:2023-10-16
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The binding and mechanism of a positive allosteric modulator of Kv3 channels.
Nat Commun, 15, 2024
2LWI
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BU of 2lwi by Molmil
Solution structure of H-RasT35S mutant protein in complex with Kobe2601
Descriptor: 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide, GTPase HRas, MAGNESIUM ION, ...
Authors:Araki, M, Tamura, A, Shima, F, Kataoka, T.
Deposit date:2012-08-01
Release date:2013-05-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction.
Proc.Natl.Acad.Sci.USA, 110, 2013
6LFN
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BU of 6lfn by Molmil
Crystal structure of LpCGTb
Descriptor: LpCGTb, PHOSPHATE ION
Authors:Gao, H.M, Yun, C.H.
Deposit date:2019-12-03
Release date:2020-11-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
5JO1
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BU of 5jo1 by Molmil
Crystal structure of phaseic acid-bound abscisic acid receptor PYL3 in complex with type 2C protein phosphatase HAB1
Descriptor: (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid, Abscisic acid receptor PYL3, MAGNESIUM ION, ...
Authors:Weng, J.K, Noel, J.P.
Deposit date:2016-05-01
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Co-evolution of Hormone Metabolism and Signaling Networks Expands Plant Adaptive Plasticity.
Cell, 166, 2016

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數據於2024-11-06公開中

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