6UTF
 
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6UTH
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6UTJ
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8JBA
 | | Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors | | Descriptor: | (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Xiao, Y.B. | | Deposit date: | 2023-05-08 | | Release date: | 2023-10-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.
J.Med.Chem., 66, 2023
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3R8D
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3R0Q
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6UTI
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1ZBH
 | | 3'-end specific recognition of histone mRNA stem-loop by 3'-exonuclease | | Descriptor: | 3'-5' exonuclease ERI1, 5'-R(*CP*CP*GP*GP*CP*UP*CP*UP*UP*UP*UP*CP*AP*GP*AP*GP*CP*CP*GP*G)-3', ADENOSINE MONOPHOSPHATE, ... | | Authors: | Cheng, Y, Patel, D.J. | | Deposit date: | 2005-04-08 | | Release date: | 2006-09-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for 3'-end specific recognition of histone mRNA stem-loop by 3'-exonuclease, a human nuclease that also targets siRNA
To be Published
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1ZBU
 | | crystal structure of full-length 3'-exonuclease | | Descriptor: | 3'-5' exonuclease ERI1, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION | | Authors: | Cheng, Y, Patel, D.J. | | Deposit date: | 2005-04-08 | | Release date: | 2006-09-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.998 Å) | | Cite: | Structural basis for 3'-end specific recognition of histone mRNA stem-loop by 3'-exonuclease, a human nuclease that also targets siRNA
To be Published
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1JE9
 | | NMR SOLUTION STRUCTURE OF NT2 | | Descriptor: | SHORT NEUROTOXIN II | | Authors: | Cheng, Y, Wang, W, Wang, J. | | Deposit date: | 2001-06-16 | | Release date: | 2001-07-04 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Structure-function relationship of three neurotoxins from the venom of Naja kaouthia: a comparison between the NMR-derived structure of NT2 with its homologues, NT1 and NT3
BIOCHIM.BIOPHYS.ACTA, 1594, 2002
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1G6M
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1SUV
 | | Structure of Human Transferrin Receptor-Transferrin Complex | | Descriptor: | CARBONATE ION, FE (III) ION, Serotransferrin, ... | | Authors: | Cheng, Y, Zak, O, Aisen, P, Harrison, S.C, Walz, T. | | Deposit date: | 2004-03-26 | | Release date: | 2004-04-13 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (7.5 Å) | | Cite: | Structure of the Human Transferrin Receptor-Transferrin Complex
Cell(Cambridge,Mass.), 116, 2004
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1TJX
 | | Crystallographic Identification of Ca2+ Coordination Sites in Synaptotagmin I C2B Domain | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Cheng, Y, Sequeira, S.M, Malinina, L, Tereshko, V, Sollner, T.H, Patel, D.J. | | Deposit date: | 2004-06-07 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Crystallographic identification of Ca2+ and Sr2+ coordination sites in synaptotagmin I C2B domain.
Protein Sci., 13, 2004
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1TJM
 | | Crystallographic Identification of Sr2+ Coordination Site in Synaptotagmin I C2B Domain | | Descriptor: | GLYCEROL, STRONTIUM ION, Synaptotagmin I | | Authors: | Cheng, Y, Sequeira, S.M, Malinina, L, Tereshko, V, Sollner, T.H, Patel, D.J. | | Deposit date: | 2004-06-06 | | Release date: | 2004-09-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Crystallographic identification of Ca2+ and Sr2+ coordination sites in synaptotagmin I C2B domain
Protein Sci., 13, 2004
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1UOW
 | | Calcium binding domain C2B | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Cheng, Y, Sequeira, S.M, Sollner, T.H, Patel, D.J. | | Deposit date: | 2003-09-24 | | Release date: | 2004-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Crystallographic Identification of Ca2+ and Sr2+ Coordination Sites in Synaptotagmin I C2B Domain
Protein Sci., 13, 2004
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1UOV
 | | Calcium binding domain C2B | | Descriptor: | CALCIUM ION, GLYCEROL, SYNAPTOTAGMIN I | | Authors: | Cheng, Y, Sequeira, S.M, Sollner, T.H, Patel, D.J. | | Deposit date: | 2003-09-24 | | Release date: | 2004-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystallographic Identification of Ca2+ and Sr2+ Coordination Sites in Synaptotagmin I C2B Domain
Protein Sci., 13, 2004
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1W0H
 | | Crystallographic structure of the nuclease domain of 3'hExo, a DEDDh family member, bound to rAMP | | Descriptor: | 3'-5' EXONUCLEASE ERI1, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION | | Authors: | Cheng, Y, Patel, D. | | Deposit date: | 2004-06-04 | | Release date: | 2004-09-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Crystallographic Structure of the Nuclease Domain of 3'Hexo, a Deddh Family Member, Bound to Ramp
J.Mol.Biol., 343, 2004
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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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9C4R
 | | Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with newly designed herbicide CMO | | Descriptor: | 2-(2-chloroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide, 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, ... | | Authors: | Cheng, Y, Guddat, L.W. | | Deposit date: | 2024-06-05 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
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9C4Q
 | | Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with newly designed herbicide FMO | | Descriptor: | 2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide, 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, ... | | Authors: | Cheng, Y, Guddat, L.W. | | Deposit date: | 2024-06-05 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
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9C4P
 | | Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with commercial herbicide triasulfuron | | Descriptor: | 2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide, 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, ... | | Authors: | Cheng, Y, Guddat, L.W. | | Deposit date: | 2024-06-05 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
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7VUN
 | | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | | Descriptor: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
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7DY7
 | | Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation | | Descriptor: | 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B. | | Deposit date: | 2021-01-20 | | Release date: | 2022-01-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
J.Med.Chem., 65, 2022
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8HK0
 | | Crystal structure of Fic32-33 complex from Streptomyces ficellus NRRL 8067 | | Descriptor: | Acyl-CoA dehydrogenase, Dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cheng, Y, Qiao, H, Liu, W, Fang, P. | | Deposit date: | 2022-11-24 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase.
J.Am.Chem.Soc., 145, 2023
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8GS1
 | | Crystal structure of AziU2-U3 complex from Streptomyces sahachiroi NRRL2485 | | Descriptor: | Azi28, Azi29, FORMIC ACID, ... | | Authors: | Cheng, Y, Li, P, Liu, W, Fang, P. | | Deposit date: | 2022-09-04 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Oxidase Heterotetramer Completes 1-Azabicyclo[3.1.0]hexane Formation with the Association of a Nonribosomal Peptide Synthetase.
J.Am.Chem.Soc., 145, 2023
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