4RLO
 
 | | Human p70s6k1 with ruthenium-based inhibitor EM5 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | | Deposit date: | 2014-10-17 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.527 Å) | | Cite: | Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
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7XCZ
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7XDA
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7XDB
 | | Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ... | | Authors: | Liu, Z, Liu, S, Gao, Y.Z. | | Deposit date: | 2022-03-26 | | Release date: | 2023-03-01 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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7D9Q
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 7 | | Descriptor: | (2S)-2-[[4-fluoranyl-1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Liu, Q.F, Yin, W.C. | | Deposit date: | 2020-10-14 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7D9P
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12 | | Descriptor: | (2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Liu, Q.F, Yin, W.C. | | Deposit date: | 2020-10-14 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7D9O
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2 | | Descriptor: | (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Liu, Q.F, Yin, W.C. | | Deposit date: | 2020-10-14 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate.
J.Med.Chem., 64, 2021
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7XDL
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ... | | Authors: | Liu, Z, Liu, S, Yuanzhu, G. | | Deposit date: | 2022-03-27 | | Release date: | 2023-03-15 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
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5UXZ
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8IL3
 | | Cryo-EM structure of CD38 in complex with FTL004 | | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain | | Authors: | Yang, J, Wang, Y, Zhang, G. | | Deposit date: | 2023-03-01 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
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5UY1
 | | X-ray crystal structure of apo Halotag | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Dunham, N.P, Boal, A.K. | | Deposit date: | 2017-02-23 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
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5XOI
 | | The structure of OsALKBH1 | | Descriptor: | MANGANESE (II) ION, Oxidoreductase, 2OG-Fe oxygenase family protein, ... | | Authors: | Wang, C, Guo, Y, Zeng, Z. | | Deposit date: | 2017-05-28 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and analysis of adenine N6-methylation sites in the rice genome.
Nat Plants, 4, 2018
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5J3F
 | | NMR solution structure of [Rp, Rp]-PT dsDNA | | Descriptor: | DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') | | Authors: | Lan, W, Hu, Z, Cao, C. | | Deposit date: | 2016-03-30 | | Release date: | 2016-11-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
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5YJZ
 | | The native crystal structure of Rv3197 from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, Probable conserved ATP-binding protein ABC transporter, SULFATE ION | | Authors: | Zhang, Q.Q, Rao, Z.H. | | Deposit date: | 2017-10-11 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
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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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8CYA
 | | SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-67 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Huang, W, Taylor, D. | | Deposit date: | 2022-05-23 | | Release date: | 2022-07-06 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
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8CXQ
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8CY6
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8CYC
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8CYB
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5YK1
 | | The complex structure of Rv3197-AMPPNP from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable conserved ATP-binding protein ABC transporter, ... | | Authors: | Rao, Z.H, Zhang, Q.Q. | | Deposit date: | 2017-10-11 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target.
Protein Cell, 9, 2018
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8CYJ
 | | RBD of SARS-CoV-2 Spike protein in complex with pan-sarbecovirus nanobodies 2-10, 2-67, 2-62 and 1-25 | | Descriptor: | Spike glycoprotein, pan-sarbecovirus nanobody 1-25, pan-sarbecovirus nanobody 2-10, ... | | Authors: | Huang, W, Taylor, D. | | Deposit date: | 2022-05-23 | | Release date: | 2022-07-06 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
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8CYD
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8CXN
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8CY9
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