7DPU
 
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin | | Descriptor: | 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-21 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
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7D1G
 | | Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase GAPDH from Clostridium beijerinckii | | Descriptor: | BETA-MERCAPTOETHANOL, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION | | Authors: | Chen, Y, Lan, J, Liu, W, Wang, L, Xu, Y. | | Deposit date: | 2020-09-14 | | Release date: | 2021-03-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase GAPDH from Clostridium beijerinckii
To Be Published
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7DN3
 | | Structure of Human RNA Polymerase III elongation complex | | Descriptor: | DNA (5'-D(P*TP*CP*GP*TP*CP*TP*GP*AP*TP*CP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*CP*CP*GP*AP*GP*AP*TP*CP*AP*GP*AP*CP*GP*AP*GP*AP*TP*CP*GP*GP*G)-3'), DNA-directed RNA polymerase III subunit RPC1, ... | | Authors: | Li, L, Yu, Z, Zhao, D, Ren, Y, Hou, H, Xu, Y. | | Deposit date: | 2020-12-08 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of human RNA polymerase III elongation complex.
Cell Res., 31, 2021
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7DU2
 | | RNA polymerase III EC complex in post-translocation state | | Descriptor: | DNA (5'-D(P*GP*TP*CP*TP*GP*AP*TP*CP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*CP*CP*GP*AP*GP*AP*TP*CP*AP*GP*AP*CP*GP*AP*GP*AP*T)-3'), DNA-directed RNA polymerase III subunit RPC1, ... | | Authors: | Li, L, Yu, Z, Zhao, D, Ren, Y, Hou, H, Xu, Y. | | Deposit date: | 2021-01-07 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structure of human RNA polymerase III elongation complex.
Cell Res., 31, 2021
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6HN4
 | | Leucine-zippered human insulin receptor ectodomain with single bound insulin - "lower" membrane-proximal part | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor,Insulin receptor,General control protein GCN4 | | Authors: | Weis, F, Menting, J.G, Margetts, M.B, Chan, S.J, Xu, Y, Tennagels, N, Wohlfart, P, Langer, T, Mueller, C.W, Dreyer, M.K, Lawrence, M.C. | | Deposit date: | 2018-09-14 | | Release date: | 2018-11-21 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The signalling conformation of the insulin receptor ectodomain.
Nat Commun, 9, 2018
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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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6HN5
 | | Leucine-zippered human insulin receptor ectodomain with single bound insulin - "upper" membrane-distal part | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, ... | | Authors: | Weis, F, Menting, J.G, Margetts, M.B, Chan, S.J, Xu, Y, Tennagels, N, Wohlfart, P, Langer, T, Mueller, C.W, Dreyer, M.K, Lawrence, M.C. | | Deposit date: | 2018-09-14 | | Release date: | 2018-11-21 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The signalling conformation of the insulin receptor ectodomain.
Nat Commun, 9, 2018
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7DNC
 | | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 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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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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7VYQ
 | | Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate | | Descriptor: | Carbonyl Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-chloranyl-3-oxidanylidene-butanoate | | Authors: | Li, Y.H, Zhang, R.Z, Wang, C, Forouhar, F, Clarke, O, Vorobiev, S, Singh, S, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | | Deposit date: | 2021-11-15 | | Release date: | 2022-04-06 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
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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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7W7H
 | | S Suis FakA-FakB2 complex structure | | Descriptor: | OLEIC ACID, Predicted kinase related to dihydroxyacetone kinase, SULFATE ION, ... | | Authors: | Shi, Y, Zang, N, Lou, N, Xu, Y, Sun, J, Huang, M, Zhang, H, Lu, H, Zhou, C, Feng, Y. | | Deposit date: | 2021-12-04 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and mechanism for streptococcal fatty acid kinase (Fak) system dedicated to host fatty acid scavenging.
Sci Adv, 8, 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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7EGF
 | | TFIID lobe A subcomplex | | Descriptor: | TATA-box-binding protein, Transcription initiation factor TFIID subunit 10, Transcription initiation factor TFIID subunit 11, ... | | Authors: | Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-05 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 2021
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7EGG
 | | TFIID lobe B subcomplex | | Descriptor: | Transcription initiation factor TFIID subunit 10, Transcription initiation factor TFIID subunit 12, Transcription initiation factor TFIID subunit 4, ... | | Authors: | Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-05 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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7EGI
 | | TFIID in rearranged conformation | | Descriptor: | TATA-box-binding protein, Transcription initiation factor IIA subunit 1, Transcription initiation factor IIA subunit 2, ... | | Authors: | Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (9.82 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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7EGE
 | | TFIID in canonical conformation | | Descriptor: | TATA-box-binding protein, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 10, ... | | Authors: | Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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7FCZ
 | | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | | Descriptor: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-07-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
 | | Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | | Descriptor: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-07-15 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7FJG
 | | Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, NADH-dependent butanol dehydrogenase A | | Authors: | Bai, X, Lan, J, Wang, L, Bu, T, Xu, Y. | | Deposit date: | 2021-08-03 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum
To Be Published
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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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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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7DDX
 | | Crystal structure of KANK1 S1179F mutant in complex wtih eIF4A1 | | Descriptor: | Eukaryotic initiation factor 4A-I, GLYCEROL, KN motif and ankyrin repeat domains 1, ... | | Authors: | Pan, W, Xu, Y, Wei, Z. | | Deposit date: | 2020-10-30 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nephrotic-syndrome-associated mutation of KANK2 induces pathologic binding competition with physiological interactor KIF21A.
J.Biol.Chem., 297, 2021
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