3BYM
 
 | | X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck | | Descriptor: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | | Authors: | Huang, X. | | Deposit date: | 2008-01-16 | | Release date: | 2008-09-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.
J.Med.Chem., 51, 2008
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3BYU
 | | co-crystal structure of Lck and aminopyrimidine reverse amide 23 | | Descriptor: | 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2008-01-16 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
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3BYO
 | | X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck | | Descriptor: | 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | | Authors: | Huang, X. | | Deposit date: | 2008-01-16 | | Release date: | 2008-12-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.
J.Med.Chem., 51, 2008
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3BYS
 | | co-crystal structure of Lck and aminopyrimidine amide 10b | | Descriptor: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2008-01-16 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
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6IYX
 | | Crystal Structure Analysis of a Eukaryotic Membrane Protein | | Descriptor: | BROMIDE ION, CALCIUM ION, Trimeric intracellular cation channel type A | | Authors: | Zeng, Y, Wang, X.H, Gao, F, Su, M, Chen, Y.H. | | Deposit date: | 2018-12-17 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6IZ5
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6IZ6
 | | Crystal Structure Analysis of TRIC counter-ion channels in calcium release | | Descriptor: | CALCIUM ION, Trimeric intracellular cation channel type B-B | | Authors: | Liu, X.L, Wang, X.H, Su, M, Hendrickson, W.A, Chen, Y.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.293 Å) | | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6IZF
 | | Structural basis for activity of TRIC counter-ion channels in calcium release | | Descriptor: | (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Wang, X.H, Zeng, Y, Su, M, Hendrickson, W.A, Chen, Y.H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6IXJ
 | | The crystal structure of sulfoacetaldehyde reductase from Klebsiella oxytoca | | Descriptor: | 2-hydroxyethylsulfonic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sulfoacetaldehyde reductase | | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | | Deposit date: | 2018-12-10 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Biochemical and structural investigation of sulfoacetaldehyde reductase fromKlebsiella oxytoca.
Biochem. J., 476, 2019
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6IZ3
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6IYZ
 | | Structural basis for activity of TRIC counter-ion channels in calcium release | | Descriptor: | CHLORIDE ION, Trimeric intracellular cation channel type A | | Authors: | Wang, X.H, Zeng, Y, Qin, L, Gao, F, Su, M, Chen, Y.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6IZ4
 | | Crystal Structure Analysis of TRIC counter-ion channels in calcium release | | Descriptor: | Trimeric intracellular cation channel type B-B | | Authors: | Wang, X.H, Zeng, Y, Gao, F, Su, M, Hendrickson, W.A, Chen, Y.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6JKP
 | | Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense in complex with NAD+ | | Descriptor: | Methanol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.008 Å) | | Cite: | Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense.
Biosci.Rep., 39, 2019
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6JKO
 | | Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense | | Descriptor: | Methanol dehydrogenase, ZINC ION | | Authors: | Zhou, Y, Xu, T, Lin, L, Zhang, Y, Yuchi, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense.
Biosci.Rep., 39, 2019
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7MKM
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6K0R
 | | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | | Deposit date: | 2019-05-07 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
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7MKL
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9MCZ
 | | Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02 in complex with boronate inhibitor VNRX-6884 | | Descriptor: | (3R)-3-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-phosphonophenyl)acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid, Penicillin-binding protein 2 | | Authors: | Stratton, C.M, Bala, S, Davies, C. | | Deposit date: | 2024-12-05 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A new class of penicillin-binding protein inhibitors to address drug-resistant Neisseria gonorrhoeae.
Biorxiv, 2024
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9MD0
 | | Crystal structure of the transpeptidase domain of PBP2 from the Neisseria gonorrhoeae cephalosporin decreased susceptibility strain 35/02 in complex with boronate inhibitor VNRX-6752 | | Descriptor: | (3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid, Penicillin-binding protein 2 | | Authors: | Stratton, C.M, Bala, S, Davies, C. | | Deposit date: | 2024-12-05 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.613 Å) | | Cite: | A new class of penicillin-binding protein inhibitors to address drug-resistant Neisseria gonorrhoeae.
Biorxiv, 2024
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6KDV
 | | Crystal structure of TtCas1-DNA complex | | Descriptor: | CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3') | | Authors: | Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y. | | Deposit date: | 2019-07-02 | | Release date: | 2019-12-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Crystal structure of Cas1 in complex with branched DNA.
Sci China Life Sci, 63, 2020
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6JIX
 | | The cyrstal structure of taurine:2-oxoglutarate aminotransferase from Bifidobacterium kashiwanohense, in complex with PLP and glutamate | | Descriptor: | GLUTAMIC ACID, PYRIDOXAL-5'-PHOSPHATE, taurine:2-oxoglutarate aminotransferase | | Authors: | Li, M, Lin, L, Zhang, Y, Yuchi, Z. | | Deposit date: | 2019-02-23 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.647 Å) | | Cite: | Biochemical and structural investigation of taurine:2-oxoglutarate aminotransferase fromBifidobacterium kashiwanohense.
Biochem.J., 476, 2019
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6IZ0
 | | Crystal Structure Analysis of a Eukaryotic Membrane Protein | | Descriptor: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | | Authors: | Wang, X.H, Zeng, Y, Gao, F, Su, M, Chen, Y.H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7XCZ
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7XDK
 | | Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 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, BA7054 fab, ... | | Authors: | Liu, Z, Lui, S, Gao, Y. | | Deposit date: | 2022-03-27 | | Release date: | 2023-03-01 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 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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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 | | Last modified: | 2025-06-25 | | 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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