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6DYS
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BU of 6dys by Molmil
C-terminal condensation domain of Ebony in complex with beta-alanyl-dopamine
Descriptor: CALCIUM ION, Ebony, N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DZ3
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BU of 6dz3 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
6DYN
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BU of 6dyn by Molmil
C-terminal condensation domain of Ebony in complex with Histamine
Descriptor: CALCIUM ION, Ebony, HISTAMINE
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DZ0
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BU of 6dz0 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((pent-4-yn-1-ylthio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
5VDU
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BU of 5vdu by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F2
Descriptor: 2-(pyridin-2-yl)pyrimidine, Cyclic GMP-AMP synthase, ZINC ION
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.729 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
6DYF
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BU of 6dyf by Molmil
Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y
Descriptor: CHLORIDE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Tezcan, F.A, Rittle, J.
Deposit date:2018-07-01
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:An efficient, step-economical strategy for the design of functional metalloproteins.
Nat.Chem., 11, 2019
5GGJ
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BU of 5ggj by Molmil
Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Man-alpha-pNP
Descriptor: 4-nitrophenyl alpha-D-mannopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
Authors:Kuwabara, N, Senda, T, Kato, R.
Deposit date:2016-06-16
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.424 Å)
Cite:Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
6DYV
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BU of 6dyv by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((pent-4-yn-1-ylthio)methyl)pyrrolidin-3-ol
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2018-07-02
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase.
J. Med. Chem., 62, 2019
5GGL
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BU of 5ggl by Molmil
Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with GlcNAc-alpha-pNP
Descriptor: 4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1
Authors:Kuwabara, N, Senda, T, Kato, R.
Deposit date:2016-06-16
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
5GGP
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BU of 5ggp by Molmil
Crystal structure of N-terminal domain of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with GlcNAc-beta1,2-Man-peptide
Descriptor: 10-mer Peptide from Dystroglycan, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1, ...
Authors:Kuwabara, N, Senda, T, Kato, R.
Deposit date:2016-06-16
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
6E08
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BU of 6e08 by Molmil
Crystal structure of G6PD in complex with structural NADP
Descriptor: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rahighi, S, Mochly Rosen, D, Wakatsuki, S.
Deposit date:2018-07-06
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator.
Nat Commun, 9, 2018
5VDV
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BU of 5vdv by Molmil
Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F3
Descriptor: Cyclic GMP-AMP synthase, SULFATE ION, ZINC ION, ...
Authors:Byrnes, L.J, Hall, J.D.
Deposit date:2017-04-03
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.
Protein Sci., 26, 2017
6DYK
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BU of 6dyk by Molmil
Iron- and Nitric Oxide-bound structure of the engineered cyt b562 variant, CH3Y*
Descriptor: FE (III) ION, NITRIC OXIDE, Soluble cytochrome b562
Authors:Tezcan, F.A, Rittle, J.
Deposit date:2018-07-01
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.955 Å)
Cite:An efficient, step-economical strategy for the design of functional metalloproteins.
Nat.Chem., 11, 2019
5GHF
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BU of 5ghf by Molmil
Transaminase with L-ala
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase class-III
Authors:Kim, J, Park, J.
Deposit date:2016-06-19
Release date:2017-05-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Active Site Engineering of omega-Transaminase Guided by Docking Orientation Analysis and Virtual Activity Screening
Acs Catalysis, 7, 2017
6DZ8
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BU of 6dz8 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (S75C)
Descriptor: Penicillin-binding protein 4, ZINC ION
Authors:Alexander, J.A.N, Strynadka, N.C.J.
Deposit date:2018-07-03
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Recognition of Peptidoglycan Fragments by the Transpeptidase PBP4 FromStaphylococcus aureus.
Front Microbiol, 9, 2018
5VF1
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BU of 5vf1 by Molmil
X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic Beta-Sheet Containing ABeta16-22
Descriptor: ORN-LYS-LEU-VAL-PHI-PHE-ALA-GLU-ORN-GLU-ALA-PHE-MEA-VAL-LEU-LYS
Authors:Chen, K.H, Corro, K.A, Le, S.P, Nowick, J.S.
Deposit date:2017-04-06
Release date:2017-06-21
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray Crystallographic Structure of a Giant Double-Walled Peptide Nanotube Formed by a Macrocyclic beta-Sheet Containing A beta 16-22.
J. Am. Chem. Soc., 139, 2017
6E0D
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BU of 6e0d by Molmil
X-ray structure of a complex of thaumatin with xylene cyanol
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, L(+)-TARTARIC ACID, Thaumatin I
Authors:McPherson, A.
Deposit date:2018-07-06
Release date:2018-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Investigation into the binding of dyes within protein crystals.
Acta Crystallogr F Struct Biol Commun, 74, 2018
5GIU
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BU of 5giu by Molmil
Crystal structure of Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site
Descriptor: PHOSPHATE ION, Proline dipeptidase, SODIUM ION
Authors:Are, V.N, Kumar, A, Singh, R, Ghosh, B, Jamdar, S.N, Makde, R.D.
Deposit date:2016-06-25
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site
To Be Published
6DZ6
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BU of 6dz6 by Molmil
Structure of the Orthorhombic (Orthrhmb) Crystal Form of Human Apolipoprotein C1
Descriptor: Apolipoprotein C-I
Authors:McPherson, A.
Deposit date:2018-07-03
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of human apolipoprotein C-1 in four different crystal forms.
J. Lipid Res., 60, 2019
5WPA
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BU of 5wpa by Molmil
Structure of human SFPQ/PSPC1 heterodimer
Descriptor: Paraspeckle component 1, Splicing factor, proline- and glutamine-rich
Authors:Lee, M.
Deposit date:2017-08-04
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of a SFPQ/PSPC1 heterodimer provides insights into preferential heterodimerization of human DBHS family proteins.
J. Biol. Chem., 293, 2018
6J7E
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BU of 6j7e by Molmil
Crystal Structure of Central domain of FleQ in complex with ATPgS and Mg
Descriptor: GLYCEROL, MAGNESIUM ION, Nitrogen assimilation regulatory protein, ...
Authors:Banerjee, P, Chanchal, Jain, D.
Deposit date:2019-01-18
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sensor I Regulated ATPase Activity of FleQ Is Essential for Motility to Biofilm Transition inPseudomonas aeruginosa.
Acs Chem.Biol., 14, 2019
6DY4
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BU of 6dy4 by Molmil
Fe(II)-bound structure of the engineered cyt cb562 variant, CH2E
Descriptor: FE (III) ION, HEME C, Soluble cytochrome b562
Authors:Rittle, J, Tezcan, F.A.
Deposit date:2018-07-01
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An efficient, step-economical strategy for the design of functional metalloproteins.
Nat.Chem., 11, 2019
7MBH
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BU of 7mbh by Molmil
Structure of Human Enolase 2 in complex with phosphoserine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ...
Authors:Leonard, P.G, Hicks, K.G, Rutter, J.
Deposit date:2021-03-31
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase.
Science, 379, 2023
6DY8
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BU of 6dy8 by Molmil
Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY
Descriptor: HEME C, MANGANESE (II) ION, Soluble cytochrome b562
Authors:Tezcan, F.A, Rittle, J.
Deposit date:2018-07-01
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An efficient, step-economical strategy for the design of functional metalloproteins.
Nat.Chem., 11, 2019
6DYI
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BU of 6dyi by Molmil
Co(II)-bound structure of the engineered cyt cb562 variant, H3
Descriptor: CALCIUM ION, CHLORIDE ION, COBALT (II) ION, ...
Authors:Tezcan, F.A, Rittle, J.
Deposit date:2018-07-01
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.964 Å)
Cite:An efficient, step-economical strategy for the design of functional metalloproteins.
Nat.Chem., 11, 2019

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