7ENA
 
 | | TFIID-based PIC-Mediator holo-complex in pre-assembled state (pre-hPIC-MED) | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y. | | Deposit date: | 2021-04-16 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (4.07 Å) | | Cite: | Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
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7ENC
 | | TFIID-based PIC-Mediator holo-complex in fully-assembled state (hPIC-MED) | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y. | | Deposit date: | 2021-04-16 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (4.13 Å) | | Cite: | Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
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7F4G
 | | Structure of RPAP2-bound RNA polymerase II | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Chen, X, Qi, Y, Wang, X, Li, J, Zhao, D, Xu, Y. | | Deposit date: | 2021-06-18 | | Release date: | 2021-07-07 | | Last modified: | 2022-07-20 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | RPAP2 regulates a transcription initiation checkpoint by inhibiting assembly of pre-initiation complex.
Cell Rep, 39, 2022
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7EVJ
 | | Crystal structure of CBP bromodomain liganded with 9c | | Descriptor: | 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate, CREB-binding protein, GLYCEROL, ... | | Authors: | Xiang, Q, Wang, C, Wu, T, Zhang, Y, Zhang, C, Luo, G, Wu, X, Shen, H, Xu, Y. | | Deposit date: | 2021-05-21 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J.Med.Chem., 65, 2022
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7Y0A
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7Y0B
 | | Crystal structure of human short-chain acyl-CoA dehydrogenase | | Descriptor: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Short-chain specific acyl-CoA dehydrogenase, ... | | Authors: | Huang, Y, Xu, Y, Li, J. | | Deposit date: | 2022-06-04 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.076 Å) | | Cite: | Crystal structure of human short-chain acyl-coA dehydrogenase
To Be Published
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6JHJ
 | | Structure of Marine bacterial laminarinase mutant-E135A | | Descriptor: | CALCIUM ION, LamCAT | | Authors: | Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L. | | Deposit date: | 2019-02-18 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
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6JH5
 | | Structure of Marine bacterial laminarinase | | Descriptor: | CALCIUM ION, LamCAT | | Authors: | Yang, J, Xu, Y, Miyakawa, T, Ru, L, Tanokura, M, Long, L. | | Deposit date: | 2019-02-17 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
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6JIA
 | | Marine bacterial laminarinase mutant E135A complex with laminaritetraose | | Descriptor: | CALCIUM ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase | | Authors: | Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L. | | Deposit date: | 2019-02-20 | | Release date: | 2019-05-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
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7DLD
 | | Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states | | Descriptor: | Carbonyl Reductase, MAGNESIUM ION | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-27 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7DLM
 | | Short chain dehydrogenase (SCR) crystal structure with NADPH | | Descriptor: | Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-28 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7DLL
 | | Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH | | Descriptor: | (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-11-28 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7DMG
 | | Short chain dehydrogenase 2 (SCR2) crystal structure with NADP | | Descriptor: | (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-12-03 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7DN1
 | | Hetero-oligomers of SCR-SCR2 crystal structure with NADPH | | Descriptor: | (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2020-12-08 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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7EMF
 | | Human Mediator (deletion of MED1-IDR) in a Tail-extended conformation | | Descriptor: | Isoform 2 of Mediator of RNA polymerase II transcription subunit 16, Isoform 2 of Mediator of RNA polymerase II transcription subunit 8, Mediator of RNA polymerase II transcription subunit 1, ... | | Authors: | Yin, X, Li, J, Wu, Z, Liu, W, Xu, Y. | | Deposit date: | 2021-04-13 | | Release date: | 2021-05-05 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
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7ENJ
 | | Human Mediator (deletion of MED1-IDR) in a Tail-bent conformation (MED-B) | | Descriptor: | Isoform 2 of Mediator of RNA polymerase II transcription subunit 8, Mediator of RNA polymerase II transcription subunit 1, Mediator of RNA polymerase II transcription subunit 10, ... | | Authors: | Yin, X, Li, J, Wu, Z, Liu, W, Xu, Y. | | Deposit date: | 2021-04-17 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
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7FJJ
 | | human Pol III pre-termination complex | | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | | Authors: | Hou, H, Xu, Y. | | Deposit date: | 2021-08-04 | | Release date: | 2021-10-27 | | Last modified: | 2021-11-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural insights into RNA polymerase III-mediated transcription termination through trapping poly-deoxythymidine.
Nat Commun, 12, 2021
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6M6P
 | | Structure of Marine bacterial laminarinase mutant E135A in complex with 1,3-beta-cellotriosyl-glucose | | Descriptor: | CALCIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose, laminarinase | | Authors: | Yang, J, Xu, Y, Tanokura, M, Long, L, Miyakawa, T. | | Deposit date: | 2020-03-16 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase.
Appl.Environ.Microbiol., 86, 2020
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7DMW
 | | Crystal structure of CcpC regulatory domain in complex with citrate from Bacillus amyloliquefaciens | | Descriptor: | CITRATE ANION, CcpC | | Authors: | Chen, J, Wang, L, Shang, F, Liu, W, Chen, Y, Lan, J, Bu, T, Bai, X, Xu, Y. | | Deposit date: | 2020-12-08 | | Release date: | 2021-10-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Functional and structural analysis of catabolite control protein C that responds to citrate.
Sci Rep, 11, 2021
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7VBA
 | | Structure of the pre state human RNA Polymerase I Elongation Complex | | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (5'-D(P*A*CP*TP*GP*TP*CP*CP*TP*CP*TP*GP*GP*C)-3'), DNA (5'-D(P*GP*CP*CP*AP*GP*AP*GP*AP*CP*AP*GP*CP*GP*AP*GP*TP*CP*AP*GP*CP*AP*A)-3'), ... | | Authors: | Zhao, D, Liu, W, Chen, K, Yang, H, Xu, Y. | | Deposit date: | 2021-08-31 | | Release date: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structure of the human RNA polymerase I elongation complex.
Cell Discov, 7, 2021
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7VBC
 | | Back track state of human RNA Polymerase I Elongation Complex | | Descriptor: | DNA (5'-D(*GP*TP*AP*CP*TP*GP*TP*CP*CP*TP*CP*TP*GP*G)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*AP*GP*CP*GP*TP*GP*TP*CP*AP*GP*CP*AP*AP*TP*A)-3'), DNA-directed RNA polymerase I subunit RPA1, ... | | Authors: | Zhao, D, Liu, W, Chen, K, Yang, H, Xu, Y. | | Deposit date: | 2021-08-31 | | Release date: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structure of the human RNA polymerase I elongation complex.
Cell Discov, 7, 2021
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7VBB
 | | Structure of the post state human RNA Polymerase I Elongation Complex | | Descriptor: | DNA (25-MER), DNA (5'-D(*CP*TP*GP*TP*CP*CP*TP*CP*TP*GP*GP*CP*GP*A)-3'), DNA-directed RNA polymerase I subunit RPA1, ... | | Authors: | Zhao, D, Liu, W, Chen, K, Yang, H, Xu, Y. | | Deposit date: | 2021-08-31 | | Release date: | 2022-03-02 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structure of the human RNA polymerase I elongation complex.
Cell Discov, 7, 2021
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7VVT
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor | | Descriptor: | 3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide | | Authors: | Su, H, Nie, T, Li, M, Xu, Y. | | Deposit date: | 2021-11-08 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease.
Eur.J.Med.Chem., 231, 2022
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7X6J
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3af | | Descriptor: | 3C-like proteinase, quinoline-2-carboxylic acid | | Authors: | Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y. | | Deposit date: | 2022-03-07 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination.
J.Med.Chem., 65, 2022
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7X6K
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3w | | Descriptor: | 1H-indole-2-carbaldehyde, 3C-like proteinase | | Authors: | Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y. | | Deposit date: | 2022-03-07 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination.
J.Med.Chem., 65, 2022
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