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1AF9
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BU of 1af9 by Molmil
TETANUS NEUROTOXIN C FRAGMENT
Descriptor: TETANUS NEUROTOXIN
Authors:Umland, T.C, Wingert, L, Swaminathan, S, Furey, W.F, Schmidt, J.J, Sax, M.
Deposit date:1997-03-24
Release date:1998-04-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the receptor binding fragment HC of tetanus neurotoxin.
Nat.Struct.Biol., 4, 1997
3CPM
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BU of 3cpm by Molmil
plant peptide deformylase PDF1B crystal structure
Descriptor: Peptide deformylase, chloroplast, SULFATE ION, ...
Authors:Rodgers, D.W, Houtz, R.L, Dirk, L.M.A, Schmidt, J.J, Cai, Y.
Deposit date:2008-03-31
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Insights into the substrate specificity of plant peptide deformylase, an essential enzyme with potential for the development of novel biotechnology applications in agriculture
Biochem.J., 413, 2008
5W7P
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BU of 5w7p by Molmil
Crystal structure of OxaC
Descriptor: OxaC, S-ADENOSYLMETHIONINE
Authors:Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
5W7K
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BU of 5w7k by Molmil
Crystal structure of OxaG
Descriptor: CHLORIDE ION, OxaG, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
5W7S
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BU of 5w7s by Molmil
Crystal structure of OxaC in complex with sinefungin and meleagrin
Descriptor: (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, OxaC, SINEFUNGIN
Authors:Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.948 Å)
Cite:Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
5W7M
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BU of 5w7m by Molmil
Crystal structure of RoqN
Descriptor: Glandicoline B O-methyltransferase roqN, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H.
Deposit date:2017-06-20
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
5W7R
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BU of 5w7r by Molmil
Crystal structure of OxaC in complex with SAH and oxaline
Descriptor: (3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, OxaC, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H.
Deposit date:2017-06-20
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway.
Org. Biomol. Chem., 16, 2018
3DS9
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A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
Descriptor: Botulinum neurotoxin type A, NICKEL (II) ION, ZINC ION, ...
Authors:Zuniga, J.E, Fenn, T.
Deposit date:2008-07-11
Release date:2008-09-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16, 2008
3DSE
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BU of 3dse by Molmil
A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
Descriptor: Botulinum neurotoxin type A, NICKEL (II) ION, ZINC ION
Authors:Zuniga, J.E, Fenn, T.
Deposit date:2008-07-11
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16, 2008
3FII
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BU of 3fii by Molmil
Crystal structure of Clostridium botulinum neurotoxin serotype F catalytic domain with an inhibitor (inh2)
Descriptor: BOTULINUM NEUROTOXIN TYPE F, ZINC ION, fragment of Vesicle-associated membrane protein 2
Authors:Agarwal, R, Swaminathan, S.
Deposit date:2008-12-11
Release date:2009-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Mode of VAMP substrate recognition and inhibition of Clostridium botulinum neurotoxin F.
Nat.Struct.Mol.Biol., 16, 2009
3FIE
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Crystal structure of Clostridium botulinum neurotoxin serotype F catalytic domain with an inhibitor (inh1)
Descriptor: BOTULINUM NEUROTOXIN TYPE F, ZINC ION, fragment of Vesicle-associated membrane protein 2
Authors:Agarwal, R, Swaminathan, S.
Deposit date:2008-12-11
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mode of VAMP substrate recognition and inhibition of Clostridium botulinum neurotoxin F.
Nat.Struct.Mol.Biol., 16, 2009
7A0R
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BU of 7a0r by Molmil
50S Deinococcus radiodurans ribosome bounded with mycinamicin I
Descriptor: 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ...
Authors:Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
7A0S
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BU of 7a0s by Molmil
50S Deinococcus radiodurans ribosome bounded with mycinamicin I
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2020-08-10
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
7A18
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BU of 7a18 by Molmil
50S Deinococcus radiodurans ribosome bounded with mycinamicin IV
Descriptor: 50S ribosomal protein L13, 50S ribosomal protein L14, 50S ribosomal protein L15, ...
Authors:Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
Deposit date:2020-08-12
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
4FXY
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BU of 4fxy by Molmil
Crystal structure of rat neurolysin with bound pyrazolidin inhibitor
Descriptor: 1-{(2S)-1-[(3R)-3-(2-chlorophenyl)-2-(2-fluorophenyl)pyrazolidin-1-yl]-1-oxopropan-2-yl}-3-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]urea, Neurolysin, mitochondrial, ...
Authors:Rodgers, D.W, Hines, C.S.
Deposit date:2012-07-03
Release date:2013-11-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric inhibition of the neuropeptidase neurolysin.
J.Biol.Chem., 289, 2014
2ISH
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BU of 2ish by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form C
Descriptor: Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2ISE
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BU of 2ise by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form A
Descriptor: Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
2ISG
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BU of 2isg by Molmil
Botulinum Neurotoxin A Light Chain WT Crystal Form B
Descriptor: NICKEL (II) ION, Neurotoxin BoNT/A, ZINC ION
Authors:Brunger, A.T, Stegmann, C.M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of metalloprotease botulinum serotype A from a pseudo-peptide binding mode to a small molecule that is active in primary neurons.
J.Biol.Chem., 282, 2007
1D0H
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BU of 1d0h by Molmil
THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH N-ACETYL-GALACTOSAMINE
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, PROTEIN (TETANUS TOXIN HC), SULFATE ION
Authors:Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W.
Deposit date:1999-09-10
Release date:2000-03-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000
1DIW
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BU of 1diw by Molmil
THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH GALACTOSE
Descriptor: TETANUS TOXIN HC, beta-D-galactopyranose
Authors:Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W.
Deposit date:1999-11-30
Release date:2000-03-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000
1DFQ
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BU of 1dfq by Molmil
THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH SIALIC ACID
Descriptor: N-acetyl-beta-neuraminic acid, TETANUS TOXIN HC
Authors:Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W.
Deposit date:1999-11-20
Release date:2000-03-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000
1FV3
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THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH AN ANALOGUE OF ITS GANGLIOSIDE RECEPTOR GT1B
Descriptor: ETHYL-TRIMETHYL-SILANE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PHOSPHATE ION, ...
Authors:Fotinou, C, Emsley, P, Black, I, Ando, H, Ishida, H, Kiso, M, Sinha, K.A, Fairweather, N.F, Isaacs, N.W.
Deposit date:2000-09-18
Release date:2001-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of tetanus toxin Hc fragment complexed with a synthetic GT1b analogue suggests cross-linking between ganglioside receptors and the toxin.
J.Biol.Chem., 276, 2001
1FV2
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The Hc fragment of tetanus toxin complexed with an analogue of its ganglioside receptor GT1B
Descriptor: ETHYL-TRIMETHYL-SILANE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PHOSPHATE ION, ...
Authors:Fotinou, C, Emsley, P, Black, I, Ando, H, Ishida, H, Kiso, M, Sinha, K.A, Fairweather, N.F, Isaacs, N.W.
Deposit date:2000-09-18
Release date:2001-09-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of tetanus toxin Hc fragment complexed with a synthetic GT1b analogue suggests cross-linking between ganglioside receptors and the toxin.
J.Biol.Chem., 276, 2001

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