7WMI
 
 | | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | | Descriptor: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | | Deposit date: | 2022-01-14 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
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7YIX
 | | The Cryo-EM Structure of Human Tissue Nonspecific Alkaline Phosphatase and Single-Chain Fragment Variable (ScFv) Complex. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ... | | Authors: | Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y, Qin, A, Ma, P.X, Cao, Y. | | Deposit date: | 2022-07-18 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase.
Nat Commun, 14, 2023
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5SYD
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4NXS
 | | Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT | | Descriptor: | (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Johnson, J.L, Drury, J.E, Lieberman, R.L. | | Deposit date: | 2013-12-09 | | Release date: | 2014-06-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5493 Å) | | Cite: | Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants.
Acs Chem.Biol., 9, 2014
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7YIW
 | | The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Acidic pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ... | | Authors: | Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y, Qin, A, Cao, Y. | | Deposit date: | 2022-07-18 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase.
Nat Commun, 14, 2023
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7YIV
 | | The Crystal Structure of Human Tissue Nonspecific Alkaline Phosphatase (ALPL) at Basic pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, ... | | Authors: | Cao, Y, Qin, A, Yu, Y.T, Yao, D.Q, Zhang, Q, Rao, B, Xia, Y, Lu, Y. | | Deposit date: | 2022-07-18 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | The structural pathology for hypophosphatasia caused by malfunctional tissue non-specific alkaline phosphatase.
Nat Commun, 14, 2023
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4B2M
 | | COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS | | Descriptor: | CHLORIDE ION, DODECIN, MAGNESIUM ION, ... | | Authors: | Staudt, H, Hoesl, M, Dreuw, A, Serdjukow, S, Oesterhelt, D, Budisa, N, Wachtveitl, J, Grininger, M. | | Deposit date: | 2012-07-16 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The flavoprotein dodecin as a redox probe for electron transfer through DNA.
Angew.Chem.Int.Ed.Engl., 52, 2013
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8H6P
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor | | Descriptor: | (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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8H6T
 | | Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor | | Descriptor: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1 | | Authors: | Ren, X. | | Deposit date: | 2022-10-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
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5CFA
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5CF3
 | | Crystal structures of Bbp from Staphylococcus aureus | | Descriptor: | Bone sialoprotein-binding protein, CALCIUM ION | | Authors: | Yu, Y, Zhang, X.Y, Gu, J.K. | | Deposit date: | 2015-07-08 | | Release date: | 2015-09-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Crystal structures of Bbp from Staphylococcus aureus reveal the ligand binding mechanism with Fibrinogen alpha
Protein Cell, 6, 2015
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7EPM
 | | human LDHC complexed with NAD+ and ethylamino acetic acid | | Descriptor: | 2-(ethylamino)-2-oxidanylidene-ethanoic acid, L-lactate dehydrogenase C chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2021-04-27 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification of human LDHC4 as a potential target for anticancer drug discovery.
Acta Pharm Sin B, 12, 2022
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7YQZ
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, S309 light chain, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR1
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with XG2v024 | | 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: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.62 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQU
 | | SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | | 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: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR3
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQW
 | | SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down) | | 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: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.51 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQV
 | | pH 5.5 SARS-CoV-2 BA.2.75 S Trimer (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: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQT
 | | SARS-CoV-2 BA.2.75 S Trimer (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: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR2
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(state1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQY
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YR0
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (interface) | | Descriptor: | Heavy chain of S309, IGK@ protein, Spike protein S1, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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7YQX
 | | SARS-CoV-2 BA.2.75 S Trimer in complex with S309 (state1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 heavy chain, ... | | Authors: | Wang, L. | | Deposit date: | 2022-08-08 | | Release date: | 2022-10-19 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
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6UTF
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6UTH
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