8W6Z
| Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins | Descriptor: | (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fang, C, Zhang, L, Zhu, Y, Zhang, C. | Deposit date: | 2023-08-30 | Release date: | 2024-06-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins To Be Published
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8W6X
| Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ... | Authors: | Hiromoto, T, Tamada, T. | Deposit date: | 2023-08-30 | Release date: | 2023-09-13 | Last modified: | 2023-11-15 | Method: | NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION | Cite: | New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase. Chem Sci, 14, 2023
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8W6K
| in situ room temperature Laue crystallography | Descriptor: | Lysozyme C | Authors: | Wang, Z.J, Wang, S.S, Pan, Q.Y, Yu, L, Su, Z.H, Yang, T.Y, Wang, Y.Z, Zhang, W.Z, Hao, Q, Gao, X.Y. | Deposit date: | 2023-08-29 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | BL03HB: Laue crystallography beamline at SSRF To Be Published
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8W6B
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8W6A
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8W5Z
| Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of tick anticoagulant protein madanin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ADENOSINE-3'-5'-DIPHOSPHATE, ... | Authors: | Yoshimura, M, Teramoto, T, Nishimoto, E, Kakuta, Y. | Deposit date: | 2023-08-28 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of tick tyrosylprotein sulfotransferase reveals the activation mechanism of the tick anticoagulant protein madanin. J.Biol.Chem., 300, 2024
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8W53
| Crystal structure of LbUGT in complex with UDP | Descriptor: | GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Hu, D, Wang, G.Q. | Deposit date: | 2023-08-25 | Release date: | 2024-05-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.42816162 Å) | Cite: | Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines. Nat Commun, 15, 2024
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8W4T
| Crystal structure of PDE5A in complex with a novel inhibitor | Descriptor: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4S
| Crystal structure of PDE5A in complex with CVT-313 | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.848 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4R
| Crystal structure of PDE4D complexed with CVT-313 | Descriptor: | 1,2-ETHANEDIOL, 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4Q
| Crystal structure of PDE4D complexed with CX-4945 | Descriptor: | 1,2-ETHANEDIOL, 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, MAGNESIUM ION, ... | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | Deposit date: | 2023-08-24 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors. Eur.J.Med.Chem., 262, 2023
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8W4J
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8W3X
| Crystal structure of IRAK4 in complex with compound 6 | Descriptor: | 7-ethoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Knafels, J.D. | Deposit date: | 2024-02-22 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833). Acs Med.Chem.Lett., 15, 2024
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8W3W
| Crystal structure of IRAK4 in complex with compound 4 | Descriptor: | 7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Knafels, J.D. | Deposit date: | 2024-02-22 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.976 Å) | Cite: | In Retrospect: Root-Cause Analysis of Structure-Activity Relationships in IRAK4 Inhibitor Zimlovisertib (PF-06650833). Acs Med.Chem.Lett., 15, 2024
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8W3A
| Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | Descriptor: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | Authors: | Lecomte, J.T.J, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | Deposit date: | 2024-02-22 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Heme D formation in a Shewanella benthica truncated hemoglobin To Be Published
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8W33
| Structure of McrD (methyl-coenzyme M reductase operon protein D) from Methanomassiliicoccus luminyensis | Descriptor: | GLYCEROL, McrD (methyl-coenzyme M reductase operon protein D) | Authors: | Sutherland-Smith, A.J, Carbone, V, Schofield, L.R, Ronimus, R.S. | Deposit date: | 2024-02-21 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structure of methanogen McrD, a methyl-coenzyme M reductase-associated protein. Febs Open Bio, 2024
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8W2O
| Yeast U1 snRNP with humanized U1C Zinc-Finger domain | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ... | Authors: | Shi, S.S, Kuang, Z.L, Zhao, R. | Deposit date: | 2024-02-20 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Selected humanization of yeast U1 snRNP leads to global suppression of pre-mRNA splicing and mitochondrial dysfunction in the budding yeast. Rna, 2024
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8W2L
| TRPM7 structure in complex with anticancer agent CCT128930 in closed state | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, ... | Authors: | Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2024-02-20 | Release date: | 2024-04-17 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.45 Å) | Cite: | Structural basis of selective TRPM7 inhibition by the anticancer agent CCT128930. Cell Rep, 43, 2024
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8W21
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8W1S
| Cryo-EM structure of BTV pre-core | Descriptor: | Core protein VP3, RNA-directed RNA polymerase | Authors: | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | Deposit date: | 2024-02-17 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells. Cell, 187, 2024
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8W1R
| Cryo-EM structure of BTV core | Descriptor: | Core protein VP3, RNA-directed RNA polymerase | Authors: | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | Deposit date: | 2024-02-17 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells. Cell, 187, 2024
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8W1O
| Cryo-EM structure of BTV virion | Descriptor: | Core protein VP3, Outer capsid protein VP2, RNA-1, ... | Authors: | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | Deposit date: | 2024-02-16 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells. Cell, 187, 2024
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8W1L
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8W1I
| Cryo-EM structure of BTV subcore | Descriptor: | Core protein VP3 | Authors: | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | Deposit date: | 2024-02-16 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells. Cell, 187, 2024
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8W1C
| Cryo-EM structure of BTV pre-subcore | Descriptor: | Core protein VP3, VP6 | Authors: | Xia, X, Sung, P.Y, Martynowycz, M.W, Gonen, T, Roy, P, Zhou, Z.H. | Deposit date: | 2024-02-15 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | RNA genome packaging and capsid assembly of bluetongue virus visualized in host cells. Cell, 187, 2024
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