4LO3
 
 | | HA17-HA33-LacNac | | Descriptor: | HA-17, HA-33, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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4LO1
 | | HA17-HA33-Gal | | Descriptor: | HA-17, HA-33, beta-D-galactopyranose | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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4LO4
 | | Apo HA-70 | | Descriptor: | CHLORIDE ION, HA-70 | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.871 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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4LO6
 | | HA70-alpha2,6-SiaLC | | Descriptor: | CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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4LO5
 | | HA70-alpha2,3-SiaLC | | Descriptor: | CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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5BP5
 | | Crystal structure of HA17-HA33-IPT | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, HA-17, HA-33 | | Authors: | Lee, K, Lam, K, Jin, R. | | Deposit date: | 2015-05-27 | | Release date: | 2015-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Inhibiting oral intoxication of botulinum neurotoxin A complex by carbohydrate receptor mimics.
Toxicon, 107, 2015
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4LO7
 | | HA70(D3)-HA17-HA33 | | Descriptor: | HA-17, HA-33, HA-70 | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.73 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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4LO8
 | | HA70(D3)-HA17 | | Descriptor: | HA-17, HA-70 | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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6OQ7
 | | Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3 | | Descriptor: | E3, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
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6OQ6
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6OQ8
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5L21
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3V0C
 | | 4.3 angstrom crystal structure of an inactive BoNT/A (E224Q/R363A/Y366F) | | Descriptor: | BoNT/A, ZINC ION | | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
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3V0B
 | | 3.9 angstrom crystal structure of BoNT/Ai in complex with NTNHA | | Descriptor: | BoNT/A, CALCIUM ION, NTNH, ... | | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-14 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
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3V0A
 | | 2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BoNT/A, CALCIUM ION, ... | | Authors: | Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R. | | Deposit date: | 2011-12-07 | | Release date: | 2012-03-14 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
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3V64
 | | Crystal Structure of agrin and LRP4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor-related protein 4, ... | | Authors: | Zong, Y, Zhang, B, Gu, S, Lee, K, Zhou, J, Yao, G, Figueiedo, D, Perry, K, Mei, L, Jin, R. | | Deposit date: | 2011-12-18 | | Release date: | 2012-04-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural basis of agrin-LRP4-MuSK signaling.
Genes Dev., 26, 2012
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3V65
 | | Crystal structure of agrin and LRP4 complex | | Descriptor: | Agrin, CALCIUM ION, Low-density lipoprotein receptor-related protein 4 | | Authors: | Zong, Y, Jin, R. | | Deposit date: | 2011-12-18 | | Release date: | 2012-04-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of agrin-LRP4-MuSK signaling.
Genes Dev., 26, 2012
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6MHJ
 | | Structure of BoNT mutant | | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | | Authors: | Lam, K, Jin, R. | | Deposit date: | 2018-09-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.019 Å) | | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
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6C0B
 | | Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2017-12-28 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
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6OQ5
 | | Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs | | Descriptor: | 5D, 7F, E3, ... | | Authors: | Chen, P, Lam, K, Jin, R. | | Deposit date: | 2019-04-25 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.87 Å) | | Cite: | Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
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6DKK
 | | Structure of BoNT | | Descriptor: | Botulinum neurotoxin type A, PHOSPHATE ION | | Authors: | Lam, K, Jin, R. | | Deposit date: | 2018-05-29 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
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5BQU
 | | Crystal structure of HA17-HA33-Lactulose | | Descriptor: | HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-D-fructofuranose | | Authors: | Lee, K, Lam, K, Jin, R. | | Deposit date: | 2015-05-29 | | Release date: | 2015-10-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Inhibiting oral intoxication of botulinum neurotoxin A complex by carbohydrate receptor mimics.
Toxicon, 107, 2015
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5V38
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8GYD
 | | Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16 | | Descriptor: | (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme | | Authors: | Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X. | | Deposit date: | 2022-09-22 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
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3OBT
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