4M5F
 
 | | complex structure of Tse3-Tsi3 | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Uncharacterized protein | | Authors: | Gu, L.C. | | Deposit date: | 2013-08-08 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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4N88
 | | Crystal structure of Tse3-Tsi3 complex with calcium ion | | Descriptor: | CALCIUM ION, Uncharacterized protein | | Authors: | Shang, G.J. | | Deposit date: | 2013-10-17 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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3HAB
 | | The structure of DPP4 in complex with piperidine fused benzimidazole 25 | | Descriptor: | (2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scapin, G. | | Deposit date: | 2009-05-01 | | Release date: | 2009-07-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
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4N7S
 | | Crystal structure of Tse3-Tsi3 complex with Zinc ion | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Shang, G.J. | | Deposit date: | 2013-10-16 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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4N80
 | | Crystal structure of Tse3-Tsi3 complex | | Descriptor: | CALCIUM ION, Uncharacterized protein, ZINC ION | | Authors: | Shang, G.J. | | Deposit date: | 2013-10-16 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
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5Z12
 | | A structure of FXR/RXR | | Descriptor: | (9cis)-retinoic acid, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor, ... | | Authors: | Lu, Y, Li, Y. | | Deposit date: | 2017-12-23 | | Release date: | 2018-07-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR
J. Biol. Chem., 293, 2018
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3EFK
 | | Structure of c-Met with pyrimidone inhibitor 50 | | Descriptor: | 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | | Authors: | Bellon, S.F, D'Angelo, N, Whittington, D, Dussault, I. | | Deposit date: | 2008-09-09 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
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8HLO
 | | Crystal structure of ASAP1-SH3 and MICAL1-PRM complex | | Descriptor: | Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1, Proline rich motif from MICAL1, ... | | Authors: | Niu, F, Wei, Z, Yu, C. | | Deposit date: | 2022-11-30 | | Release date: | 2023-02-22 | | Method: | X-RAY DIFFRACTION (1.168 Å) | | Cite: | Crystal Structure of the SH3 Domain of ASAP1 in Complex with the Proline Rich Motif (PRM) of MICAL1 Reveals a Unique SH3/PRM Interaction Mode.
Int J Mol Sci, 24, 2023
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7VX1
 | | SARS-CoV-2 Beta variant spike protein in open state | | Descriptor: | Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VX9
 | | SARS-CoV-2 Kappa variant spike protein in complex wth ACE2, state C1 | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXA
 | | SARS-CoV-2 Kappa variant spike protein in complex with ACE2, state C2a | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXD
 | | SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C1 state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VX5
 | | ACE2-RBD in SARS-CoV-2 Kappa variant S-ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VX4
 | | ACE2-RBD in SARS-CoV-2 Beta variant S-ACE2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXF
 | | SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C2B state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXC
 | | SARS-CoV-2 Kappa variant spike protein in C3 state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXE
 | | SARS-CoV-2 Kappa variant spike protein in open state | | Descriptor: | Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-01 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXI
 | | SARS-CoV-2 Kappa variant spike protein in transition state | | Descriptor: | Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXK
 | | SARS-CoV-2 spike protein in complex with ACE2, Beta variant, C2A state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXB
 | | SARS-CoV-2 Kappa variant spike protein in C2b state | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein | | Authors: | Xu, C, Cong, Y. | | Deposit date: | 2021-11-12 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Conformational dynamics of the Beta and Kappa SARS-CoV-2 spike proteins and their complexes with ACE2 receptor revealed by cryo-EM.
Nat Commun, 12, 2021
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7VXM
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6IFE
 | | A Glycoside Hydrolase Family 43 beta-Xylosidase | | Descriptor: | Beta-xylosidase, GLYCEROL | | Authors: | Li, N, Liu, Y, Zhang, R, Zhou, J.P, Huang, Z.X. | | Deposit date: | 2018-09-20 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Biochemical and structural properties of a low-temperature-active glycoside hydrolase family 43 beta-xylosidase: Activity and instability at high neutral salt concentrations.
Food Chem, 301, 2019
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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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