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7CRU
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BU of 7cru by Molmil
hnRNPK NLS in complex with Importin alpha 1 (KPNA2)
Descriptor: ACETATE ION, GLYCEROL, Heterogeneous nuclear ribonucleoprotein K, ...
Authors:Yao, J, Sun, Q.
Deposit date:2020-08-14
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Nuclear import receptors and hnRNPK mediates nuclear import and stress granule localization of SIRLOIN.
Cell.Mol.Life Sci., 78, 2021
6JMU
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BU of 6jmu by Molmil
Crystal structure of GIT1/Paxillin complex
Descriptor: ARF GTPase-activating protein GIT1, Paxillin
Authors:Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M.
Deposit date:2019-03-13
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling.
Mol.Cell, 79, 2020
4Y9J
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BU of 4y9j by Molmil
Crystal Structure of Caenorhabditis elegans ACDH-11 in complex with C11-CoA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Protein ACDH-11, isoform b, ...
Authors:Li, Z.J, Sun, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acyl-CoA Dehydrogenase Drives Heat Adaptation by Sequestering Fatty Acids
Cell, 161, 2015
4Y9L
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BU of 4y9l by Molmil
Crystal Structure of Caenorhabditis elegans ACDH-11
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Protein ACDH-11, isoform b
Authors:Li, Z.J, Zhai, Y.J, Zhang, K, Sun, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Acyl-CoA Dehydrogenase Drives Heat Adaptation by Sequestering Fatty Acids
Cell, 161, 2015
6KO0
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BU of 6ko0 by Molmil
The crystal structue of PDE10A complexed with 1i
Descriptor: 3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B.
Deposit date:2019-08-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.600029 Å)
Cite:Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
6JMT
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BU of 6jmt by Molmil
Crystal structure of GIT/PIX complex
Descriptor: ARF GTPase-activating protein GIT2, ZINC ION, beta PIX
Authors:Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M.
Deposit date:2019-03-13
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling.
Mol.Cell, 79, 2020
6KK0
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BU of 6kk0 by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 4e
Descriptor: 7-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-9-yl]oxyheptanoic acid, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2019-07-23
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.20008755 Å)
Cite:Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
6KO1
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BU of 6ko1 by Molmil
The crystal structue of PDE10A complexed with 2d
Descriptor: 6-chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, Yu, Y.F, Zhang, C, Guo, L, Wu, D, Luo, H.-B.
Deposit date:2019-08-07
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors.
Acs Chem Neurosci, 11, 2020
7DBG
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BU of 7dbg by Molmil
Yeast CRM1e (apo) in complex with Ran-RanBP1
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, CRM1 isoform 1, ...
Authors:Sun, Q, Lei, Y.
Deposit date:2020-10-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Novel Mechanistic Observations and NES-Binding Groove Features Revealed by the CRM1 Inhibitors Plumbagin and Oridonin.
J.Nat.Prod., 84, 2021
6KJZ
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BU of 6kjz by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 1
Descriptor: 8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5,9-bis(oxidanyl)pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2019-07-23
Release date:2020-03-18
Last modified:2025-01-22
Method:X-RAY DIFFRACTION (2.200001 Å)
Cite:Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia.
J.Med.Chem., 63, 2020
7E14
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BU of 7e14 by Molmil
Compound2_GLP-1R_OWL833_Gs complex structure
Descriptor: 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, CHOLESTEROL, G protein, ...
Authors:Cong, Z.T, Chen, L.N, Ma, H.L, Yang, D.H, Xu, H.E, Zhang, Y, Wang, M.W.
Deposit date:2021-01-30
Release date:2021-07-07
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
6UK1
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BU of 6uk1 by Molmil
Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Vorobiev, S.M, Vernon, R.M, Khazanov, N, Senderowitz, H, Forman-Kay, J.D, Hunt, J.F.
Deposit date:2019-10-03
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:A thermodynamically stabilized form of the second nucleotide binding domain from human CFTR shows a catalytically inactive conformation
To Be Published
8YLC
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BU of 8ylc by Molmil
The crystal structure of PDE4D with Amentoflavone
Descriptor: 3',5'-cyclic-AMP phosphodiesterase 4D, 8-[5-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenyl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-03-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.30003715 Å)
Cite:Discovery of amentoflavone as a natural PDE4 inhibitor with anti-fibrotic effects
Chin.Chem.Lett., 2024
8YJB
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BU of 8yjb by Molmil
Cryo-EM structure of the human DSS1-INTAC complex
Descriptor: 26S proteasome complex subunit DSS1, Integrator complex subunit 1, Integrator complex subunit 11, ...
Authors:Zheng, H, Xu, Y, Cheng, J.
Deposit date:2024-03-01
Release date:2025-03-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Stabilization of Integrator/INTAC by the small but versatile DSS1 protein.
To Be Published
8XIC
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BU of 8xic by Molmil
Structure of Trioxacarcin A covalently bound to guanosine-2'-fluorinated d(AACCGGTT)2
Descriptor: DNA (5'-D(*AP*AP*CP*CP*2''F-GP*2''F-GP*TP*T)-3'), Trioxacarcin A, bound form
Authors:Gao, R.Q, Cao, C, Tang, G.L.
Deposit date:2023-12-19
Release date:2024-12-04
Last modified:2024-12-11
Method:SOLUTION NMR
Cite:Different DNA Binding and Damage Mode between Anticancer Antibiotics Trioxacarcin A and LL-D49194 alpha 1.
Jacs Au, 4, 2024
8Y1I
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BU of 8y1i by Molmil
Structure of guanosine-2''-fluorinated [d(AACCGGTT)]2
Descriptor: DNA (5'-D(*(3D1)P*AP*CP*CP*(GF2)P*(GF2)P*TP*T)-3')
Authors:Gao, R.Q, Cao, C, Tang, G.L.
Deposit date:2024-01-24
Release date:2024-12-04
Last modified:2024-12-11
Method:SOLUTION NMR
Cite:Different DNA Binding and Damage Mode between Anticancer Antibiotics Trioxacarcin A and LL-D49194 alpha 1.
Jacs Au, 4, 2024
8ZQW
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BU of 8zqw by Molmil
The crystal structure of PDE4D with isoaurostatin derivatives 2-9
Descriptor: (3~{Z})-3-[[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylidene]-6-oxidanyl-1~{H}-indol-2-one, 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-06-03
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.100019 Å)
Cite:Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects
Chin.Chem.Lett., 2024
8ZQU
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BU of 8zqu by Molmil
The crystal structure of PDE4D with isoaurostatin derivatives 2-6
Descriptor: (3~{Z})-3-[[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylidene]-6-oxidanyl-1-benzofuran-2-one, 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-06-03
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.00004554 Å)
Cite:Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects
Chin.Chem.Lett., 2024
8ZQ1
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BU of 8zq1 by Molmil
The crystal structure of PDE4D with isoaurostatin derivatives 1-12
Descriptor: (3~{E})-3-[(3,4-dimethoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-2-one, 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-05-31
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.200001 Å)
Cite:Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects
Chin.Chem.Lett., 2024
8ZQ2
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BU of 8zq2 by Molmil
The crystal structure of PDE4D with isoaurostatin derivatives 2-1
Descriptor: (3~{Z})-3-[(3-ethoxy-4-methoxy-phenyl)methylidene]-6-oxidanyl-1-benzofuran-2-one, 3',5'-cyclic-AMP phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, Luo, H.-B.
Deposit date:2024-05-31
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2.10001445 Å)
Cite:Structure-based optimization of isoaurostatin as novel PDE4 inhibitors with anti-fibrotic effects
Chin.Chem.Lett., 2024
7CQ1
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BU of 7cq1 by Molmil
Solution structure of the C-terminal domain of Mycobacterium Tuberculosis ribosome maturation factor protein RimM
Descriptor: Ribosome maturation factor RimM
Authors:Zhang, H, Lin, D.
Deposit date:2020-08-08
Release date:2021-03-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for the C-Terminal Domain of Mycobacterium tuberculosis Ribosome Maturation Factor RimM to Bind Ribosomal Protein S19.
Biomolecules, 11, 2021
7F2L
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BU of 7f2l by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 18a
Descriptor: (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2021-06-11
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.10111427 Å)
Cite:Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
7F2M
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BU of 7f2m by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 18d
Descriptor: (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2021-06-11
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.20004153 Å)
Cite:Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
7F2K
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BU of 7f2k by Molmil
Crystal structure of PDE4D catalytic domain complexed with compound 17a
Descriptor: (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ...
Authors:Huang, Y.-Y, He, X, Luo, H.-B.
Deposit date:2021-06-11
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.10001969 Å)
Cite:Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021

238582

數據於2025-07-09公開中

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