4X7G
| CobK precorrin-6A reductase | Descriptor: | 3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Precorrin-6A reductase | Authors: | Gu, S, Deery, E, Warren, M.J, Pickersgill, R.W. | Deposit date: | 2014-12-09 | Release date: | 2016-01-20 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystal structure of CobK reveals strand-swapping between Rossmann-fold domains and molecular basis of the reduced precorrin product trap. Sci Rep, 5, 2015
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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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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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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: | 2024-10-16 | 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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5C4R
| CobK precorrin-6A reductase | Descriptor: | Precorrin-6A reductase | Authors: | Gu, S, Pickersgill, R.W. | Deposit date: | 2015-06-18 | Release date: | 2016-11-16 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Crystal structure of CobK reveals strand-swapping between Rossmann-fold domains and molecular basis of the reduced precorrin product trap. Sci Rep, 5, 2015
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5C4N
| CobK precorrin-6A reductase | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Precorrin-6A reductase | Authors: | Gu, S, Pickersgill, R.W. | Deposit date: | 2015-06-18 | Release date: | 2015-12-09 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal structure of CobK To Be Published
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2LNV
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5HM7
| The Intracellular domain of Butyrophilin 3A1 protein | Descriptor: | BETA-MERCAPTOETHANOL, Butyrophilin subfamily 3 member A1, GLYCEROL, ... | Authors: | Adams, E.J, Gu, S. | Deposit date: | 2016-01-15 | Release date: | 2017-07-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Phosphoantigen-induced conformational change of butyrophilin 3A1 (BTN3A1) and its implication on V gamma 9V delta 2 T cell activation. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3R4S
| Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules | Descriptor: | Botulinum neurotoxin type C1, N-acetyl-alpha-neuraminic acid, N-acetyl-beta-neuraminic acid | Authors: | Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T. | Deposit date: | 2011-03-17 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites. Mol.Microbiol., 81, 2011
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3R4U
| Cell entry of botulinum neurotoxin type C is dependent upon interaction with two ganglioside molecules | Descriptor: | Botulinum neurotoxin type C1 | Authors: | Strotmeier, J, Gu, S, Jutzi, S, Mahrhold, S, Zhou, J, Pich, A, Bigalke, H, Rummel, A, Jin, R, Binz, T. | Deposit date: | 2011-03-17 | Release date: | 2011-06-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The biological activity of botulinum neurotoxin type C is dependent upon novel types of ganglioside binding sites. Mol.Microbiol., 81, 2011
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5M6R
| Human porphobilinogen deaminase in complex with reaction intermediate | Descriptor: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION, ... | Authors: | Pluta, P, Millet, O, Roversi, P, Rojas, A.L, Gu, S. | Deposit date: | 2016-10-25 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural basis of pyrrole polymerization in human porphobilinogen deaminase. Biochim Biophys Acta Gen Subj, 1862, 2018
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5NBG
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5M7F
| Human porphobilinogen deaminase in complex with DPM cofactor | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase, SULFATE ION | Authors: | Pluta, P, Millet, O, Roversi, P, Rojas, A.L, Gu, S. | Deposit date: | 2016-10-27 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural basis of pyrrole polymerization in human porphobilinogen deaminase. Biochim Biophys Acta Gen Subj, 1862, 2018
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3H5V
| Crystal structure of the GluR2-ATD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2 | Authors: | Jin, R, Singh, S.K, Gu, S, Furukawa, H, Sobolevsky, A, Zhou, J, Jin, Y, Gouaux, E. | Deposit date: | 2009-04-22 | Release date: | 2009-06-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure and association behaviour of the GluR2 amino-terminal domain. Embo J., 28, 2009
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3H5W
| Crystal structure of the GluR2-ATD in space group P212121 without solvent | Descriptor: | Glutamate receptor 2 | Authors: | Jin, R, Singh, S.K, Gu, S, Furukawa, H, Sobolevsky, A, Zhou, J, Jin, Y, Gouaux, E. | Deposit date: | 2009-04-22 | Release date: | 2009-06-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.686 Å) | Cite: | Crystal structure and association behaviour of the GluR2 amino-terminal domain. Embo J., 28, 2009
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4H86
| Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form | Descriptor: | Peroxiredoxin type-2 | Authors: | Liu, M, Wang, F, Qiu, R, Wu, T, Gu, S, Tang, R, Ji, C. | Deposit date: | 2012-09-21 | Release date: | 2012-10-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | Crystal structure of Ahp1 from Saccharomyces cerevisiae in reduced form To be Published
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3SAJ
| Crystal Structure of glutamate receptor GluA1 Amino Terminal Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 1, ... | Authors: | Jin, R, Zong, Y, Yao, G, Gu, S. | Deposit date: | 2011-06-02 | Release date: | 2011-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the glutamate receptor GluA1 N-terminal domain. Biochem.J., 438, 2011
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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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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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4LO0
| Apo HA17-HA33 | Descriptor: | HA-17, HA-33 | 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 (2.055 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4LO2
| HA17-HA33-Lac | Descriptor: | HA-17, HA-33, beta-D-galactopyranose-(1-4)-beta-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 (2.254 Å) | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity. Plos Pathog., 9, 2013
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4QD2
| Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex | Descriptor: | CALCIUM ION, Cadherin-1, Hemagglutinin component HA17, ... | Authors: | Lee, K, Zhong, X, Gu, S, Kruel, A, Dorner, M.B, Perry, K, Rummel, A, Dong, M, Jin, R. | Deposit date: | 2014-05-13 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex. Science, 344, 2014
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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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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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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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