7DVQ
 
 | | Cryo-EM Structure of the Activated Human Minor Spliceosome (minor Bact Complex) | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, 5'-O-[(S)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(methoxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine, Armadillo repeat-containing protein 7, ... | | Authors: | Bai, R, Wan, R, Wang, L, Xu, K, Zhang, Q, Lei, J, Shi, Y. | | Deposit date: | 2021-01-14 | | Release date: | 2021-03-31 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structure of the activated human minor spliceosome.
Science, 371, 2021
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7DCR
 | | cryo-EM structure of the DEAH-box helicase Prp2 in complex with its coactivator Spp2 | | Descriptor: | PRP2 isoform 1, Pre-mRNA-splicing factor SPP2 | | Authors: | Bai, R, Wan, R, Yan, C, Jia, Q, Zhang, P, Lei, J, Shi, Y. | | Deposit date: | 2020-10-26 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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7DCQ
 | | cryo-EM structure of the DEAH-box helicase Prp2 | | Descriptor: | PRP2 isoform 1 | | Authors: | Bai, R, Wan, R, Yan, C, Jia, Q, Zhang, P, Lei, J, Shi, Y. | | Deposit date: | 2020-10-26 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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7DCO
 | | Cryo-EM structure of the activated spliceosome (Bact complex) at an atomic resolution of 2.5 angstrom | | Descriptor: | BJ4_G0014900.mRNA.1.CDS.1, BJ4_G0027490.mRNA.1.CDS.1, BJ4_G0037700.mRNA.1.CDS.1, ... | | Authors: | Bai, R, Wan, R, Yan, C, Qi, J, Zhang, P, Lei, J, Shi, Y. | | Deposit date: | 2020-10-26 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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7BCT
 | | ASCT2 in the presence of the inhibitor ERA-21 in the outward-open conformation. | | Descriptor: | Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7BCQ
 | | ASCT2 in the presence of the inhibitor Lc-BPE (position "up") in the outward-open conformation. | | Descriptor: | 4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | | Deposit date: | 2020-12-21 | | Release date: | 2021-09-22 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7D8X
 | | CryoEM structure of human gamma-secretase in complex with E2012 and L685458 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Yan, C, Shi, Y. | | Deposit date: | 2020-10-11 | | Release date: | 2021-01-27 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
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7DD3
 | | Cryo-EM structure of the pre-mRNA-loaded DEAH-box ATPase/helicase Prp2 in complex with Spp2 | | Descriptor: | PRP2 isoform 1, Pre-mRNA-splicing factor SPP2, pre-mRNA | | Authors: | Bai, R, Wan, R, Yan, C, Qi, J, Zhang, P, Lei, J, Shi, Y. | | Deposit date: | 2020-10-27 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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7DCP
 | | cryo-EM structure of the DEAH-box helicase Prp2 and coactivator Spp2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PRP2 isoform 1, ... | | Authors: | Bai, R, Wan, R, Yan, C, Jia, Q, Zhang, P, Lei, J, Shi, Y. | | Deposit date: | 2020-10-26 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2.
Science, 371, 2021
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7C9I
 | | Human gamma-secretase in complex with small molecule L-685,458 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Yan, C, Shi, Y. | | Deposit date: | 2020-06-05 | | Release date: | 2021-01-27 | | Last modified: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
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6LKX
 | | The structure of PRRSV helicase | | Descriptor: | CITRIC ACID, GLYCEROL, RNA-dependent RNA polymerase, ... | | Authors: | Shi, Y.J, Tong, X.H, Peng, G.Q. | | Deposit date: | 2019-12-20 | | Release date: | 2020-05-27 | | Last modified: | 2021-06-09 | | Method: | X-RAY DIFFRACTION (2.998 Å) | | Cite: | Structural Characterization of the Helicase nsp10 Encoded by Porcine Reproductive and Respiratory Syndrome Virus.
J.Virol., 94, 2020
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7T78
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7T79
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3K9X
 | | X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | | Descriptor: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | | Authors: | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | | Deposit date: | 2009-10-16 | | Release date: | 2009-12-15 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
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3SW2
 | | X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide | | Descriptor: | 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ... | | Authors: | Klei, H.E. | | Deposit date: | 2011-07-13 | | Release date: | 2011-11-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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2N3V
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2N3T
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2N3W
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2N3U
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3HPT
 | | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | | Descriptor: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | | Deposit date: | 2009-06-04 | | Release date: | 2009-11-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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7NAK
 | | Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD) | | Descriptor: | NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
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7NAL
 | | Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (ARM and SAM domains) | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1 | | Authors: | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | | Deposit date: | 2021-06-21 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules.
Mol.Cell, 82, 2022
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5Y4L
 | | PRRSV nsp4 | | Descriptor: | Non-structural protein | | Authors: | Shi, Y.J, Gang, Y, Peng, G.Q. | | Deposit date: | 2017-08-04 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Identification of two antiviral inhibitors targeting 3C-like serine/3C-like protease of porcine reproductive and respiratory syndrome virus and porcine epidemic diarrhea virus.
Vet. Microbiol., 213, 2018
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3ENS
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6KFW
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