5I88
 
 | | BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | | Descriptor: | 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ... | | Authors: | Murray, J.M. | | Deposit date: | 2016-02-18 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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7N5U
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 21) | | Descriptor: | DNA Strain II, DNA Strand I, ZINC ION, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7N5W
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23) | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7N5V
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 20) | | Descriptor: | DNA Strand I, DNA Strand II, ZINC ION, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7X31
 | | solution structure of an anti-CRISPR protein | | Descriptor: | Anti-CRISPR protein (AcrIIC1) | | Authors: | Zhao, Y, Yang, F. | | Deposit date: | 2022-02-27 | | Release date: | 2022-10-26 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
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8HM1
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8HM2
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8HM3
 | | Complex of PPIase-BfUbb | | Descriptor: | GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ... | | Authors: | Xu, J.H, Chen, Z, Gao, X. | | Deposit date: | 2022-12-02 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
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8HM4
 | | Crystal structure of PPIase | | Descriptor: | Peptidylprolyl isomerase | | Authors: | Xu, J.H, Chen, Z, Gao, X. | | Deposit date: | 2022-12-02 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome.
Nat Microbiol, 9, 2024
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7XYD
 | | Crystal structure of TMPRSS2 in complex with Nafamostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Liu, X, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-01 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7Y0F
 | | Crystal structure of TMPRSS2 in complex with UK-371804 | | Descriptor: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7Y0E
 | | Crystal structure of TMPRSS2 in complex with Camostat | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, CALCIUM ION, ... | | Authors: | Wang, H, Duan, Y, Liu, X, Sun, L, Yang, H. | | Deposit date: | 2022-06-04 | | Release date: | 2023-12-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Nat Commun, 14, 2023
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7VJT
 | | Crystal Structure of Mtb Pks13-TE in complex with inhibitor coumestan derivative 8 | | Descriptor: | 3,8-bis(oxidanyl)-7-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one, Polyketide synthase Pks13 (Termination polyketide synthase) | | Authors: | Zhang, W, Wang, S.S, Yu, L.F. | | Deposit date: | 2021-09-28 | | Release date: | 2022-09-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-Based Optimization of Coumestan Derivatives as Polyketide Synthase 13-Thioesterase(Pks13-TE) Inhibitors with Improved hERG Profiles for Mycobacterium tuberculosis Treatment.
J.Med.Chem., 65, 2022
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6LCY
 | | Crystal structure of Synaptotagmin-7 C2B in complex with IP6 | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7 | | Authors: | Zhang, Y, Zhang, X, Rao, F, Wang, C. | | Deposit date: | 2019-11-20 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | 5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
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7YLM
 | | Cryo-EM structure of 8-subunit Smc5/6 hinge region | | Descriptor: | MMS21 isoform 1, SMC6 isoform 1, Structural maintenance of chromosomes protein 5 | | Authors: | Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L. | | Deposit date: | 2022-07-26 | | Release date: | 2024-01-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (6.17 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
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7YQH
 | | Cryo-EM structure of 8-subunit Smc5/6 | | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ... | | Authors: | Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W. | | Deposit date: | 2022-08-07 | | Release date: | 2024-01-31 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
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8I4S
 | | the complex structure of SARS-CoV-2 Mpro with D8 | | Descriptor: | 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one, ORF1a polyprotein | | Authors: | Lu, M. | | Deposit date: | 2023-01-21 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of quinazolin-4-one-based non-covalent inhibitors targeting the severe acute respiratory syndrome coronavirus 2 main protease (SARS-CoV-2 M pro ).
Eur.J.Med.Chem., 257, 2023
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5IL0
 | | Crystal structural of the METTL3-METTL14 complex for N6-adenosine methylation | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, METTL14, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
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4W5S
 | | Tankyrase in complex with compound | | Descriptor: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ... | | Authors: | Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T. | | Deposit date: | 2014-08-18 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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5IL1
 | | Crystal structure of SAM-bound METTL3-METTL14 complex | | Descriptor: | 1,2-ETHANEDIOL, METTL14, METTL3, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
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3NMW
 | | Crystal structure of armadillo repeats domain of APC | | Descriptor: | APC variant protein, SULFATE ION | | Authors: | Zhang, Z, Chen, L, Gao, L, Lin, K, Wu, G. | | Deposit date: | 2010-06-22 | | Release date: | 2011-07-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis for the recognition of Asef by adenomatous polyposis coli.
Cell Res., 22, 2012
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4EAX
 | | Mouse NGF in complex with Lyso-PS | | Descriptor: | Beta-nerve growth factor, O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine | | Authors: | Jiang, T, Tong, Q. | | Deposit date: | 2012-03-23 | | Release date: | 2012-09-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional insights into lipid-bound nerve growth factors
Faseb J., 26, 2012
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5IL2
 | | Crystal structure of SAH-bound METTL3-METTL14 complex | | Descriptor: | 1,2-ETHANEDIOL, METTL14, METTL3, ... | | Authors: | Wang, X, Guan, Z, Zou, T, Yin, P. | | Deposit date: | 2016-03-04 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-29 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | Structural basis of N6-adenosine methylation by the METTL3-METTL14 complex
Nature, 534, 2016
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4WD5
 | | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 | | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-{2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1(2H)-yl]phenyl}propanamide | | Authors: | Yun, C.H, Eck, M.J. | | Deposit date: | 2014-09-07 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138
To Be Published
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8TBF
 | | Tricomplex of RMC-7977, KRAS WT, and CypA | | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-06-28 | | Release date: | 2024-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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