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4X7G
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BU of 4x7g by Molmil
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
3V0A
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BU of 3v0a by Molmil
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
3V0B
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BU of 3v0b by Molmil
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
3V0C
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BU of 3v0c by Molmil
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
5C4R
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BU of 5c4r by Molmil
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
5C4N
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BU of 5c4n by Molmil
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
2LNV
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BU of 2lnv by Molmil
Solution structure of GspC-HR of typeII secretion system
Descriptor: General secretion pathway protein C
Authors:Gu, S, Kelly, G, Pickersgill, R.
Deposit date:2012-01-05
Release date:2012-01-25
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of Homology Region (HR) Domain of Type II Secretion System.
J.Biol.Chem., 287, 2012
5HM7
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BU of 5hm7 by Molmil
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
3R4S
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BU of 3r4s by Molmil
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
3R4U
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BU of 3r4u by Molmil
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
5M6R
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BU of 5m6r by Molmil
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
5NBG
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BU of 5nbg by Molmil
Structure of the cytoplasmic domain I of OutF in the D. dadantii type II secretion system
Descriptor: General secretion pathway protein F
Authors:Zhang, H, Gu, S.
Deposit date:2017-03-01
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the first cytoplasmic domain of OutF and assembly of the inner-membrane platform proteins of the D. dadantii type II secretion system
To Be Published
5M7F
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BU of 5m7f by Molmil
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
3H5V
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BU of 3h5v by Molmil
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
3H5W
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BU of 3h5w by Molmil
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
4H86
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BU of 4h86 by Molmil
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
3SAJ
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BU of 3saj by Molmil
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
4LO3
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BU of 4lo3 by Molmil
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
4LO5
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BU of 4lo5 by Molmil
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
4LO0
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BU of 4lo0 by Molmil
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
4LO2
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BU of 4lo2 by Molmil
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
4QD2
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BU of 4qd2 by Molmil
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
4LO4
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BU of 4lo4 by Molmil
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
4LO1
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BU of 4lo1 by Molmil
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
4LO6
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BU of 4lo6 by Molmil
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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