4LO3
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![BU of 4lo3 by Molmil](/molmil-images/mine/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
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![BU of 4lo1 by Molmil](/molmil-images/mine/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
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![BU of 4lo4 by Molmil](/molmil-images/mine/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
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![BU of 4lo6 by Molmil](/molmil-images/mine/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
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![BU of 4lo5 by Molmil](/molmil-images/mine/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
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![BU of 5bp5 by Molmil](/molmil-images/mine/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
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![BU of 4lo7 by Molmil](/molmil-images/mine/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
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![BU of 4lo8 by Molmil](/molmil-images/mine/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
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![BU of 6oq7 by Molmil](/molmil-images/mine/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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![BU of 6oq6 by Molmil](/molmil-images/mine/6oq6) | |
6OQ8
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![BU of 6oq8 by Molmil](/molmil-images/mine/6oq8) | |
5L21
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![BU of 5l21 by Molmil](/molmil-images/mine/5l21) | |
3V0C
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![BU of 3v0c by Molmil](/molmil-images/mine/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
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![BU of 3v0b by Molmil](/molmil-images/mine/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
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![BU of 3v0a by Molmil](/molmil-images/mine/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
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![BU of 3v64 by Molmil](/molmil-images/mine/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
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![BU of 3v65 by Molmil](/molmil-images/mine/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
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![BU of 6mhj by Molmil](/molmil-images/mine/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
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![BU of 6c0b by Molmil](/molmil-images/mine/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
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![BU of 6oq5 by Molmil](/molmil-images/mine/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
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![BU of 6dkk by Molmil](/molmil-images/mine/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
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![BU of 5bqu by Molmil](/molmil-images/mine/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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![BU of 5v38 by Molmil](/molmil-images/mine/5v38) | |
8GYD
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![BU of 8gyd by Molmil](/molmil-images/mine/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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![BU of 3obt by Molmil](/molmil-images/mine/3obt) | |