8XZI
 
 | | Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex | | Descriptor: | (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wang, W, Ji, S, Zhang, Y. | | Deposit date: | 2024-01-21 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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8XZH
 | | Cryo-EM structure of the MM07-bound human APLNR-Gi complex | | Descriptor: | Apelin 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: | Wang, W, Ji, S, Zhang, Y. | | Deposit date: | 2024-01-21 | | Release date: | 2024-03-20 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
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8IDE
 | | Structure of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme (TsaN) | | Descriptor: | MANGANESE (II) ION, N(6)-L-threonylcarbamoyladenine synthase | | Authors: | Zhang, Z.L, Jin, M.Q, Yu, Z.J, Chen, W, Wang, X.L, Lei, D.S, Zhang, W.H. | | Deposit date: | 2023-02-13 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structure-function analysis of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme reveals a prototype of tRNA t6A and ct6A synthetases.
Nucleic Acids Res., 51, 2023
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6VXV
 | | Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-02-24 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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5DH3
 | | Crystal structure of MST2 in complex with XMU-MP-1 | | Descriptor: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide, CHLORIDE ION, SULFATE ION, ... | | Authors: | Kong, L.L, Yun, C.H. | | Deposit date: | 2015-08-29 | | Release date: | 2016-08-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.468 Å) | | Cite: | Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration
Sci Transl Med, 8, 2016
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6W0S
 | | Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 | | Descriptor: | BROMIDE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-03-02 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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6ID1
 | | Cryo-EM structure of a human intron lariat spliceosome after Prp43 loaded (ILS2 complex) at 2.9 angstrom resolution | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, CWF19-like protein 2, Cell division cycle 5-like protein, ... | | Authors: | Zhang, X, Zhan, X, Yan, C, Shi, Y. | | Deposit date: | 2018-09-07 | | Release date: | 2019-03-13 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structures of the human spliceosomes before and after release of the ligated exon.
Cell Res., 29, 2019
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6PWW
 | | Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome | | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | | Deposit date: | 2019-07-23 | | Release date: | 2019-12-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
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3EWT
 | | Crystal Structure of calmodulin complexed with a peptide | | Descriptor: | CALCIUM ION, Calmodulin, Tumor necrosis factor receptor superfamily member 6 | | Authors: | Jiang, T, Cao, P, Gong, Y, Yu, H.J, Gui, W.J, Zhang, W.T. | | Deposit date: | 2008-10-16 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into the mechanism of calmodulin binding to death receptors.
Acta Crystallogr.,Sect.D, 70, 2014
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8VQR
 | | Crystal structure of chimeric SARS-CoV-2 RBD complexed with chimeric raccoon dog ACE2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Hsueh, F.-C, Shi, K, Aihara, H, Li, F. | | Deposit date: | 2024-01-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.565 Å) | | Cite: | Structural basis for raccoon dog receptor recognition by SARS-CoV-2
To Be Published
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8IBQ
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-02-10 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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8IDH
 | | Bromodomain and Extra-terminal Domain (BET) BRD4 | | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | | Authors: | Cao, D, Zhiyan, D, Xiong, B. | | Deposit date: | 2023-02-13 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain.
J.Med.Chem., 66, 2023
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6J1U
 | | influenza virus nucleoprotein with a specific inhibitor | | Descriptor: | Nucleoprotein, ~{N}-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | | Authors: | Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q. | | Deposit date: | 2018-12-29 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of a Novel Specific Inhibitor Targeting Influenza A Virus Nucleoprotein with Pleiotropic Inhibitory Effects on Various Steps of the Viral Life Cycle.
J.Virol., 95, 2021
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4R9I
 | | Crystal structure of cysteine proteinase inhibitor Serpin18 from Bombyx mori | | Descriptor: | BETA-MERCAPTOETHANOL, CITRATE ANION, SODIUM ION, ... | | Authors: | Guo, P.C, He, H.W, Zhao, P, Xia, Q.Y. | | Deposit date: | 2014-09-05 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural insights into the unique inhibitory mechanism of the silkworm protease inhibitor serpin18
Sci Rep, 5, 2015
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6IJO
 | | Photosystem I of Chlamydomonas reinhardtii | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Pan, X, Ma, J, Su, X, Liu, Z, Zhang, X, Li, M. | | Deposit date: | 2018-10-10 | | Release date: | 2019-03-20 | | Last modified: | 2019-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Antenna arrangement and energy transfer pathways of a green algal photosystem-I-LHCI supercomplex.
Nat Plants, 5, 2019
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5KSI
 | | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | | Descriptor: | (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ... | | Authors: | Ahmed, M.H, Safo, M.K, Xia, Y. | | Deposit date: | 2016-07-08 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
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4XNW
 | | The human P2Y1 receptor in complex with MRS2500 | | Descriptor: | P2Y purinoceptor 1,Rubredoxin,P2Y purinoceptor 1, ZINC ION, [(1R,2S,4S,5S)-4-[2-iodo-6-(methylamino)-9H-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate | | Authors: | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | | Deposit date: | 2015-01-16 | | Release date: | 2015-04-01 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
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4XNV
 | | The human P2Y1 receptor in complex with BPTU | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea, CHOLESTEROL, ... | | Authors: | Zhang, D, Gao, Z, Jacobson, K, Han, G.W, Stevens, R, Zhao, Q, Wu, B, GPCR Network (GPCR) | | Deposit date: | 2015-01-16 | | Release date: | 2015-04-01 | | Last modified: | 2020-02-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Two disparate ligand-binding sites in the human P2Y1 receptor
Nature, 520, 2015
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5QQP
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-05-20 | | Release date: | 2019-09-18 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
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5QQO
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | | Authors: | Sheriff, S. | | Deposit date: | 2019-05-20 | | Release date: | 2019-09-18 | | Last modified: | 2021-05-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 29, 2019
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8IQC
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8IQI
 | | Structure of Full-Length AsfvPrimPol in Complex-Form | | Descriptor: | DNA (32-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Shao, Z.W, Su, S.C, Gan, J.H. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
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8IQH
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8IQD
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8IQB
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