8K5N
| Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy | Descriptor: | 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1 | Authors: | Cheng, Y, Xiao, Y.B. | Deposit date: | 2023-07-22 | Release date: | 2024-01-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy. J.Med.Chem., 66, 2023
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6JHY
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8F93
| WDR5 covalently modified at Y228 by (R)-2-SF | Descriptor: | 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ... | Authors: | Taunton, J, Craven, G.B, Chen, Y. | Deposit date: | 2022-11-23 | Release date: | 2023-05-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes. Nat.Chem., 15, 2023
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8T7C
| Crystal structure of human phospholipase C gamma 2 | Descriptor: | 1,2-ETHANEDIOL, 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2, CALCIUM ION | Authors: | Chen, Y, Choi, H, Zhuang, N, Hu, L, Qian, D, Wang, J. | Deposit date: | 2023-06-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal and cryo-EM structures of PLCg2 reveal dynamic inter-domain recognitions in autoinhibition To Be Published
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6UEG
| Pseudomonas aeruginosa LpxA Complex Structure with Ligand | Descriptor: | 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, CALCIUM ION | Authors: | Chen, Y, Kroeck, K, Sacco, M. | Deposit date: | 2019-09-20 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography. Sci Rep, 9, 2019
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6XF4
| Crystal structure of STING REF variant in complex with E7766 | Descriptor: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), 1,2-ETHANEDIOL, Stimulator of interferon genes protein | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | Deposit date: | 2020-06-15 | Release date: | 2021-02-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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6XF3
| Crystal structure of STING in complex with E7766 | Descriptor: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), Stimulator of interferon genes protein | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | Deposit date: | 2020-06-15 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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8KGO
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8ET5
| Crystal structure of arabidopsis thaliana acetohydroxyacid synthase S653T mutant in complex with amidosulfuron | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | Guddat, L.W, Cheng, Y. | Deposit date: | 2022-10-16 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem., 71, 2023
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8ET4
| Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | Guddat, L.W, Cheng, Y. | Deposit date: | 2022-10-16 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem., 71, 2023
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7XY7
| Adenosine receptor bound to a non-selective agonist in complex with a G protein obtained by cryo-EM | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Zhang, J.Y, Chen, Y, Hua, T, Song, G.J. | Deposit date: | 2022-05-31 | Release date: | 2023-05-03 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Cryo-EM structure of the human adenosine A 2B receptor-G s signaling complex. Sci Adv, 8, 2022
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7XY6
| Adenosine receptor bound to an agonist in complex with G protein obtained by cryo-EM | Descriptor: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhang, J.Y, Chen, Y, Hua, T, Song, G.J. | Deposit date: | 2022-05-31 | Release date: | 2023-05-03 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Cryo-EM structure of the human adenosine A 2B receptor-G s signaling complex. Sci Adv, 8, 2022
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1C78
| STAPHYLOKINASE (SAK) DIMER | Descriptor: | STAPHYLOKINASE | Authors: | Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y. | Deposit date: | 2000-02-01 | Release date: | 2000-08-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a staphylokinase: variant a model for reduced antigenicity. Eur.J.Biochem., 269, 2002
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1C77
| STAPHYLOKINASE (SAK) DIMER | Descriptor: | STAPHYLOKINASE | Authors: | Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y. | Deposit date: | 2000-02-01 | Release date: | 2000-08-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a staphylokinase: variant a model for reduced antigenicity. Eur.J.Biochem., 269, 2002
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1C79
| STAPHYLOKINASE (SAK) DIMER | Descriptor: | STAPHYLOKINASE | Authors: | Rao, Z, Jiang, F, Liu, Y, Zhang, X, Chen, Y, Bartlam, M, Song, H, Ding, Y. | Deposit date: | 2000-02-01 | Release date: | 2000-08-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a staphylokinase: variant a model for reduced antigenicity. Eur.J.Biochem., 269, 2002
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3P2T
| Crystal Structure of Leukocyte Ig-like Receptor LILRB4 (ILT3/LIR-5/CD85k) | Descriptor: | Leukocyte immunoglobulin-like receptor subfamily B member 4, SULFATE ION | Authors: | Chen, Y, Nam, G, Cheng, H, Zhang, J.H, Willcox, B.E, Gao, G.F. | Deposit date: | 2010-10-04 | Release date: | 2011-03-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Crystal structure of leukocyte Ig-like receptor LILRB4 (ILT3/LIR-5/CD85k): a myeloid inhibitory receptor involved in immune tolerance J.Biol.Chem., 286, 2011
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8JMV
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8JMW
| Fibril form of serine peptidase Vpr | Descriptor: | S8 family serine peptidase | Authors: | Cao, Q, Cheng, Y. | Deposit date: | 2023-06-05 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Serine peptidase Vpr forms enzymatically active fibrils outside Bacillus bacteria revealed by cryo-EM. Nat Commun, 14, 2023
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8KAJ
| Crystal structure of SpyCas9-crRNA-tracrRNA complex bound to 16nt target DNA | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*CP*AP*AP*TP*AP*CP*CP*TP*TP*TP*TP*AP*TP*CP*CP*AP*TP*AP*AP*AP*TP*TP*CP*G)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ... | Authors: | Chen, Y, Chen, J, Liu, L. | Deposit date: | 2023-08-03 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Trans-nuclease activity of Cas9 activated by DNA or RNA target binding. Nat.Biotechnol., 2024
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8KAI
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8KAM
| Crystal structure of SpyCas9 in complex with sgRNA and 16nt target DNA | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, DNA (5'-D(*CP*AP*AP*TP*AP*CP*CP*TP*CP*TP*TP*CP*AP*AP*TP*TP*AP*GP*AP*AP*CP*AP*CP*G)-3'), DNA (5'-D(*TP*TP*TP*AP*GP*GP*TP*AP*TP*TP*G)-3'), ... | Authors: | Chen, Y, Chen, J, Liu, L. | Deposit date: | 2023-08-03 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.91 Å) | Cite: | Trans-nuclease activity of Cas9 activated by DNA or RNA target binding. Nat.Biotechnol., 2024
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8KAL
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8KAK
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8KAH
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8KAG
| Crystal structure of SpyCas9 in complex with sgRNA and target RNA | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, RNA (5'-R(*CP*CP*AP*CP*UP*UP*CP*AP*AP*UP*UP*AP*GP*AP*AP*CP*AP*CP*GP*GP*AP*CP*C)-3'), RNA (98-MER) | Authors: | Chen, Y, Chen, J, Liu, L. | Deposit date: | 2023-08-03 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.88 Å) | Cite: | Trans-nuclease activity of Cas9 activated by DNA or RNA target binding. Nat.Biotechnol., 2024
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