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8XK9
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BU of 8xk9 by Molmil
ternary complex of DNA polymerase SFM4-3 recognizing C2 methyoxy nucleotide
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-R(P*(OMG))-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ...
Authors:Wen, C, Liu, H, Yang, L, Gong, W.
Deposit date:2023-12-22
Release date:2024-11-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for C2'-methoxy Recognition by DNA Polymerases and Function Improvement.
J.Mol.Biol., 436, 2024
7V99
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BU of 7v99 by Molmil
catalytic core of human telomerase holoenzyme
Descriptor: Histone H2A type 1-B/E, Histone H2B type 1-K, Primer DNA, ...
Authors:Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M.
Deposit date:2021-08-24
Release date:2022-03-30
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Zipper head mechanism of telomere synthesis by human telomerase.
Cell Res., 31, 2021
7V9A
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BU of 7v9a by Molmil
biogenesis module of human telomerase holoenzyme
Descriptor: H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ...
Authors:Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M.
Deposit date:2021-08-24
Release date:2022-03-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Zipper head mechanism of telomere synthesis by human telomerase.
Cell Res., 31, 2021
7DYG
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BU of 7dyg by Molmil
Histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 2-(1H-pyrazol-3-yl)isonicotinic acid
Descriptor: 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, FE (III) ION, Lysine-specific demethylase 4D
Authors:Wang, T, Yang, L.
Deposit date:2021-01-21
Release date:2022-01-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 2-(1H-pyrazol-3-yl)isonicotinic acid
To Be Published
7DYQ
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BU of 7dyq by Molmil
Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
Descriptor: 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile, FE (III) ION, Lysine-specific demethylase 4D
Authors:Wang, T, Yang, L.
Deposit date:2021-01-22
Release date:2022-01-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure of histone lysine demethylase 4D (KDM4D) in complex with the inhibitor 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
To Be Published
5HA9
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BU of 5ha9 by Molmil
Crystal structure-based design and disovery of a novel PARP1 antiagonist (BL-PA10) that induces apoptosis and inhibits metastasis in triple negative breast cancer
Descriptor: Amitriptyline, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
Authors:Fu, L, Peng, H, Zhang, L, Ouyang, L.
Deposit date:2015-12-30
Release date:2016-03-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Crystal structure-based discovery of a novel synthesized PARP1 inhibitor (OL-1) with apoptosis-inducing mechanisms in triple-negative breast cancer.
Sci Rep, 6, 2016
6KF1
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BU of 6kf1 by Molmil
Microbial Hormone-sensitive lipase- E53 mutant S162A
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEXANOIC ACID, ...
Authors:Xiaochen, Y, Zhengyang, L, Xuewei, X, Jixi, L.
Deposit date:2019-07-05
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Functional and Structural Insights into Environmental Adaptation of a Novel Hormone-sensitive Lipase, E53, Obtained from Erythrobacter longus
To Be Published
8KFQ
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BU of 8kfq by Molmil
The crystal structure of EGFR(T797M/L858R) with small molecule inhibitor B6
Descriptor: Epidermal growth factor receptor, SULFATE ION, ~{N}-[3-[[6-chloranyl-2-[(1-ethylpyrazol-4-yl)amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
Authors:Wu, C, Ouyang, L.
Deposit date:2023-08-16
Release date:2024-08-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structure of EGFR(T979M/L858R) with small molecule inhibitor B6
To Be Published
7XBI
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BU of 7xbi by Molmil
The crystal structure of human TrkA kinase bound to the inhibitor
Descriptor: 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide, CHLORIDE ION, High affinity nerve growth factor receptor
Authors:Wu, C.Y, Wang, G, Ouyang, L.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The crystal structure of human TrkA kinase bound to the inhibitor
To be published
8P5R
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BU of 8p5r by Molmil
Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA
Descriptor: CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ...
Authors:Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M.
Deposit date:2023-05-24
Release date:2023-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (4.562 Å)
Cite:High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
7WE6
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BU of 7we6 by Molmil
Structure of Csy-AcrIF24-dsDNA
Descriptor: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Zhang, L, Feng, Y.
Deposit date:2021-12-22
Release date:2022-04-20
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7DTR
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BU of 7dtr by Molmil
Structure of an AcrIF protein
Descriptor: AcrIF24
Authors:Yue, F, Peipei, Y.
Deposit date:2021-01-06
Release date:2022-01-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7ELM
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BU of 7elm by Molmil
Structure of Csy-AcrIF24
Descriptor: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
Authors:Zhang, L, Feng, Y.
Deposit date:2021-04-12
Release date:2022-04-20
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7ELN
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BU of 7eln by Molmil
Structure of Csy-AcrIF24-dsDNA
Descriptor: 54-MER DNA, AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, ...
Authors:Zhang, L, Feng, Y.
Deposit date:2021-04-12
Release date:2022-04-20
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
8JIP
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BU of 8jip by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist MEDI0382-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JIR
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BU of 8jir by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist SAR425899-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JIT
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BU of 8jit by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist MEDI0382-bound human GCGR-Gs complex
Descriptor: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-06
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JIQ
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BU of 8jiq by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist Peptide 15-bound human GCGR-Gs complex
Descriptor: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-13
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JIU
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BU of 8jiu by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist SAR425899-bound human GCGR-Gs complex
Descriptor: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-09-13
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JIS
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BU of 8jis by Molmil
Cryo-EM structure of the GLP-1R/GCGR dual agonist peptide15-bound human GLP-1R-Gs complex
Descriptor: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, L, Zhou, Q.T, Dai, A.T, Zhao, F.H, Chang, R.L, Ying, T.L, Wu, B.L, Yang, D.H, Wang, M.W, Cong, Z.T.
Deposit date:2023-05-27
Release date:2023-11-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:Structural analysis of the dual agonism at GLP-1R and GCGR.
Proc.Natl.Acad.Sci.USA, 120, 2023
7X8L
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BU of 7x8l by Molmil
Microbial family VII carboxylesterase E93 Wild-type
Descriptor: Carboxylic ester hydrolase
Authors:Li, Y, Zhen, R, Li, J, Xu, X.
Deposit date:2022-03-13
Release date:2023-03-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and functional insight into a marine microbial carboxylesterase E93
To Be Published
7VB2
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BU of 7vb2 by Molmil
Solution structure of human ribosomal protein uL11
Descriptor: 60S ribosomal protein L12
Authors:Lee, K.M, Wong, K.B.
Deposit date:2021-08-30
Release date:2022-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The flexible N-terminal motif of uL11 unique to eukaryotic ribosomes interacts with P-complex and facilitates protein translation.
Nucleic Acids Res., 50, 2022
7B7V
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BU of 7b7v by Molmil
Structure of NUDT15 in complex with Acyclovir monophosphate
Descriptor: 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl dihydrogen phosphate, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Rehling, D, Stenmark, P.
Deposit date:2020-12-11
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:NUDT15 polymorphism influences the metabolism and therapeutic effects of acyclovir and ganciclovir.
Nat Commun, 12, 2021
9LTA
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BU of 9lta by Molmil
Crystal Structure of Compound SKLB-D18 with MAPK7 (ERK5)
Descriptor: 4-[5-chloranyl-2-[[3-[(dimethylamino)methyl]phenyl]amino]pyrimidin-4-yl]-~{N}-morpholin-4-yl-thiophene-2-carboxamide, Mitogen-activated protein kinase 7
Authors:Xiao, H, Sun, Q.
Deposit date:2025-02-05
Release date:2025-04-02
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A first-in-class selective inhibitor of ERK1/2 and ERK5 overcomes drug resistance with a single-molecule strategy.
Signal Transduct Target Ther, 10, 2025
7F7W
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BU of 7f7w by Molmil
JAK2-JH2
Descriptor: 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2
Authors:Niu, L.
Deposit date:2021-06-30
Release date:2022-03-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms.
Blood Cancer J, 12, 2022

238582

数据于2025-07-09公开中

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