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4X7U
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BU of 4x7u by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with Mg, SAH and mycinamicin III (substrate)
Descriptor: MAGNESIUM ION, MYCINAMICIN III, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X81
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BU of 4x81 by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate)
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7W
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BU of 4x7w by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin VI (MycE substrate)
Descriptor: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, Mycinamicin VI, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7Z
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BU of 4x7z by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg, SAH and mycinamicin III (substrate)
Descriptor: DIMETHYL SULFOXIDE, MAGNESIUM ION, MYCINAMICIN III, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7X
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BU of 4x7x by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and macrocin
Descriptor: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7Y
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BU of 4x7y by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with Mg and SAH
Descriptor: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4X7V
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BU of 4x7v by Molmil
MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and mycinamicin IV (product)
Descriptor: MAGNESIUM ION, MYCINAMICIN IV, Mycinamicin III 3''-O-methyltransferase, ...
Authors:Bernard, S.M, Smith, J.L.
Deposit date:2014-12-09
Release date:2015-03-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
8TUC
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BU of 8tuc by Molmil
Unphosphorylated CaMKK2 in complex with CC-8977
Descriptor: (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Bernard, S.M, Shanmugasundaram, V, D'Agostino, L.
Deposit date:2023-08-16
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2).
J.Med.Chem., 66, 2023
5KUY
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BU of 5kuy by Molmil
Influenza hemagglutinin H3 A/Hong Kong/1/1968 in complex with designed inhibitor protein HSB.2A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Designed influenza inhibitor HSB.2A, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
5IOS
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BU of 5ios by Molmil
Flavin-dependent thymidylate synthase R90A variant in complex with FAD and deoxyuridine monophosphate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase ThyX
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
5IOT
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BU of 5iot by Molmil
Flavin-dependent thymidylate synthase R174A variant in complex with FAD and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase ThyX
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
5IOQ
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BU of 5ioq by Molmil
Flavin-dependent thymidylate synthase in complex with FAD and deoxyuridine
Descriptor: 2'-DEOXYURIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ...
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
5IOR
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BU of 5ior by Molmil
Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate
Descriptor: 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ...
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
5VLI
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BU of 5vli by Molmil
Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934)
Descriptor: 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2017-04-25
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
7LA7
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BU of 7la7 by Molmil
O6 variable lymphocyte receptor ectodomain
Descriptor: PHOSPHATE ION, variable lymphocyte receptor O6
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2021-01-06
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55100727 Å)
Cite:Novel lamprey antibody recognizes terminal sulfated galactose epitopes on mammalian glycoproteins.
Commun Biol, 4, 2021
7LA8
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BU of 7la8 by Molmil
O6 variable lymphocyte receptor ectodomain bound to 3-HSO3-Gal-4GlcNAc
Descriptor: 3-O-sulfo-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BIOTIN, O6 variable lymphocyte receptor, ...
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2021-01-06
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8965 Å)
Cite:Novel lamprey antibody recognizes terminal sulfated galactose epitopes on mammalian glycoproteins.
Commun Biol, 4, 2021
6OC7
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BU of 6oc7 by Molmil
HMP42 Fab in complex with Protein G
Descriptor: Heavy chain of HMP42 Fab, Immunoglobulin G-binding protein G, Light chain for HMP42 Fab
Authors:Bernard, S.M, Wilson, I.A.
Deposit date:2019-03-22
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
5KUX
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BU of 5kux by Molmil
Designed influenza hemagglutinin binding protein HSB.2
Descriptor: Designed influenza inhibitor protein HSB.2
Authors:Lee, P.S, Bernard, S.M, Wilson, I.A.
Deposit date:2016-07-13
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Computational design of trimeric influenza-neutralizing proteins targeting the hemagglutinin receptor binding site.
Nat. Biotechnol., 35, 2017
4XVZ
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BU of 4xvz by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with Mg
Descriptor: CHLORIDE ION, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase
Authors:Akey, D.L, Smith, J.L.
Deposit date:2015-01-28
Release date:2015-03-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
4XVY
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BU of 4xvy by Molmil
MycF mycinamicin III 3'-O-methyltransferase in complex with SAH
Descriptor: MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Akey, D.L, Smith, J.L.
Deposit date:2015-01-28
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
3SSO
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BU of 3sso by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg and SAH, Crystal form 2
Descriptor: MAGNESIUM ION, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
3SSN
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BU of 3ssn by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg, SAH, and Mycinamycin VI
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
3SSM
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BU of 3ssm by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg and SAH, Crystal form 1
Descriptor: MAGNESIUM ION, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
5VMR
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BU of 5vmr by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.2110.4
Descriptor: Bot.2110.4, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-28
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
5VID
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BU of 5vid by Molmil
Receptor binding domain of BoNT/B in complex with mini-protein binder Bot.0671.2
Descriptor: Bot.0671.2, Botulinum neurotoxin type B
Authors:Jin, R, Lam, K, Yao, G.
Deposit date:2017-04-15
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017

 

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