7V13
 
 | | Factor XIa in Complex with Compound 2g | | Descriptor: | 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Milligan, C.M, Cedervall, P. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.589 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V0Z
 | | Factor XIa in Complex with Compound 2a | | Descriptor: | Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V12
 | | Factor XIa in Complex with Compound 2f | | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V16
 | | Factor XIa in Complex with Compound 2j | | Descriptor: | 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.505 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V11
 | | Factor XIa in Complex with Compound 2e | | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.472 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V15
 | | Factor XIa in Complex with Compound 2i | | Descriptor: | 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Shaffer, P.L, Cedervall, P, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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7V10
 | | Factor XIa in Complex with Compound 2d | | Descriptor: | CITRIC ACID, Coagulation factor XIa light chain, methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate | | Authors: | Shaffer, P.L, Spurlino, J, Milligan, C.M. | | Deposit date: | 2022-05-11 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.
J.Med.Chem., 65, 2022
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8J40
 | | Crystal Structure of CATB8 in complex with chloramphenicol | | Descriptor: | CHLORAMPHENICOL, CatB8, GLYCEROL, ... | | Authors: | Liao, J, Kuang, L, Jiang, Y. | | Deposit date: | 2023-04-18 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Chloramphenicol Binding Sites of Acinetobacter baumannii Chloramphenicol Acetyltransferase CatB8.
Acs Infect Dis., 10, 2024
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2KFX
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7XGL
 | | Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in Apo form | | Descriptor: | CHLORIDE ION, GLYCEROL, Quinolinate Phosphoribosyl Transferase, ... | | Authors: | Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z. | | Deposit date: | 2022-04-05 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
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7XGN
 | | Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in complex with Nicotinic Acid (NA) | | Descriptor: | CHLORIDE ION, NICOTINIC ACID, Quinolinate Phosphoribosyl Transferase, ... | | Authors: | Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z. | | Deposit date: | 2022-04-05 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
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7XGM
 | | Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in complex with Quinolinic Acid (QA) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, QUINOLINIC ACID, ... | | Authors: | Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z. | | Deposit date: | 2022-04-05 | | Release date: | 2023-03-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
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7C6O
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7D3U
 | | Structure of Mrp complex from Dietzia sp. DQ12-45-1b | | Descriptor: | Cation antiporter, DODECYL-BETA-D-MALTOSIDE, Monovalent Na+/H+ antiporter subunit A, ... | | Authors: | Li, B, Zhang, K.D, Wu, X.L, Zhang, X.C. | | Deposit date: | 2020-09-21 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the Dietzia Mrp complex reveals molecular mechanism of this giant bacterial sodium proton pump.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7CNA
 | | Crystal structure of Spindlin1/C11orf84 complex bound to histone H3K4me3K9me3 peptide | | Descriptor: | ALA-ARG-THR-M3L-GLN-THR-ALA-ARG-M3L-SER-GLY, ALA-ARG-THR-M3L-GLN-THR-ALA-ARG-M3L-SER-THR, BENZAMIDINE, ... | | Authors: | Qian, C.M. | | Deposit date: | 2020-07-30 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural mechanism of bivalent histone H3K4me3K9me3 recognition by the Spindlin1/C11orf84 complex in rRNA transcription activation.
Nat Commun, 12, 2021
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7F7H
 | | SARS-CoV-2 S protein RBD in complex with A8-1 Fab | | Descriptor: | Heavy chain of A8-1 Fab, Light chain of A8-1 Fab, Spike glycoprotein S1 | | Authors: | Dou, Y, Wang, X, Wang, K, Liu, P, Lu, B. | | Deposit date: | 2021-06-29 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | High throughput isolation of potent neutralizing antibodies from convalescent COVID-19 patients.
To Be Published
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7F1E
 | | Structure of METTL6 bound with SAM | | Descriptor: | S-ADENOSYLMETHIONINE, tRNA N(3)-methylcytidine methyltransferase METTL6 | | Authors: | Li, S, Liao, S, Xu, C. | | Deposit date: | 2021-06-09 | | Release date: | 2022-01-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.589 Å) | | Cite: | Structural basis for METTL6-mediated m3C RNA methylation.
Biochem.Biophys.Res.Commun., 589, 2021
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7VRV
 | | VAS5 Spike (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhen, C, Wang, X. | | Deposit date: | 2021-10-25 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | VAS5 Spike(1 RBD up)
To Be Published
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5X45
 | | Crystal structure of 2A protease from Human rhinovirus C15 | | Descriptor: | ZINC ION, protease 2A | | Authors: | Ling, H, Yang, P, Shaw, N, Sun, Y, Wang, X. | | Deposit date: | 2017-02-10 | | Release date: | 2018-02-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Structural view of the 2A protease from human rhinovirus C15.
Acta Crystallogr.,Sect.F, 74, 2018
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