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8I64
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BU of 8i64 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II
Descriptor: 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
8I68
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BU of 8i68 by Molmil
Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III
Descriptor: 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase
Authors:Raj, P, Paul, A, Gopal, B.
Deposit date:2023-01-27
Release date:2023-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
2HKZ
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BU of 2hkz by Molmil
Crystal structure of the editing domain of threonyl-tRNA synthetase from Pyrococcus abyssi in complex with L-serine
Descriptor: SERINE, Threonyl-tRNA synthetase
Authors:Dwivedi, S, Kruparani, S.P, Sankaranarayanan, R.
Deposit date:2006-07-06
Release date:2006-08-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Post-transfer editing mechanism of a D-aminoacyl-tRNA deacylase-like domain in threonyl-tRNA synthetase from archaea
Embo J., 25, 2006
6BWG
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BU of 6bwg by Molmil
Crystal structure of native Rv2983 from Mycobacterium tuberculosis
Descriptor: 2-phospho-L-lactate guanylyltransferase
Authors:Bashiri, G, Jirgis, E.N.M, Baker, E.N.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A revised biosynthetic pathway for the cofactor F420in prokaryotes.
Nat Commun, 10, 2019
8B1X
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BU of 8b1x by Molmil
Solution NMR structure of the single alpha helix peptide (P3-7)2
Descriptor: P3-7_2
Authors:Escobedo, A, Coles, M, Diercks, T, Garcia, J, Millet, O, Salvatella, X.
Deposit date:2022-09-12
Release date:2023-01-25
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A glutamine-based single alpha-helix scaffold to target globular proteins.
Nat Commun, 13, 2022
6YYM
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BU of 6yym by Molmil
Structure of S. pombe Mei2 RRM3 domain bound to RNA
Descriptor: Meiosis protein mei2, RNA (5'-R(*GP*CP*UP*UP*UP*UP*UP*GP*UP*UP*CP*G)-3')
Authors:Hazra, D, Graille, M.
Deposit date:2020-05-05
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:A scaffold lncRNA shapes the mitosis to meiosis switch.
Nat Commun, 12, 2021
4XLO
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BU of 4xlo by Molmil
Crystal Structure of EncM (crystallized with 4 mM NADPH)
Descriptor: FAD-dependent oxygenase EncM, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Teufel, R.
Deposit date:2015-01-13
Release date:2015-01-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Flavin-mediated dual oxidation controls an enzymatic Favorskii-type rearrangement.
Nature, 503, 2013
5A52
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BU of 5a52 by Molmil
The crystal structure of Arabidopsis thaliana CAR1 in complex with one calcium ion
Descriptor: CALCIUM ION, CALCIUM-DEPENDENT LIPID-BINDING DOMAIN-CONTAINING PROTEIN, GLYCEROL, ...
Authors:Fernandez, D, Marquez, J.A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A4X
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BU of 5a4x by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and Zn
Descriptor: AT3G17980, CALCIUM ION, ZINC ION
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A50
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BU of 5a50 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions, Zn and Phopho Choline
Descriptor: AT3G17980, CALCIUM ION, PHOSPHOCHOLINE, ...
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
5A51
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BU of 5a51 by Molmil
The crystal structure of Arabidopsis thaliana CAR4 in complex with two calcium ions and phophatidyl serine
Descriptor: AT3G17980, CALCIUM ION, PHOSPHOSERINE
Authors:Diaz, M, Albert, A.
Deposit date:2015-06-16
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Calcium-Dependent Oligomerization of Car Proteins at Cell Membrane Modulates Aba Signaling.
Proc.Natl.Acad.Sci.USA, 113, 2016
6YYL
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BU of 6yyl by Molmil
Crystal structure of S. pombe Mei2 RRM3 domain
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Meiosis protein mei2, ...
Authors:Graille, M, Hazra, D.
Deposit date:2020-05-05
Release date:2020-12-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A scaffold lncRNA shapes the mitosis to meiosis switch.
Nat Commun, 12, 2021
5OUW
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BU of 5ouw by Molmil
Metal free structure of SynFtn
Descriptor: Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2017-08-25
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5OUZ
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BU of 5ouz by Molmil
Metal free structure of Y40F SynFtn
Descriptor: Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2017-08-25
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6U7L
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BU of 6u7l by Molmil
2.75 Angstrom Crystal Structure of Galactarate Dehydratase from Escherichia coli.
Descriptor: CALCIUM ION, CHLORIDE ION, Galactarate dehydratase (L-threo-forming)
Authors:Minasov, G, Shuvalova, L, Wawrzak, Z, Dubrovska, I, Kiryukhina, O, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-09-03
Release date:2019-11-06
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of galactarate dehydratase, a new fold in an enolase involved in bacterial fitness after antibiotic treatment.
Protein Sci., 29, 2020
6GKB
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BU of 6gkb by Molmil
Iron soak structure of Y40F SynFtn
Descriptor: FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2018-05-18
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6GKC
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BU of 6gkc by Molmil
2 minute Fe2+ soak structure of SynFtn
Descriptor: FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2018-05-18
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3CQE
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BU of 3cqe by Molmil
Wee1 kinase complex with inhibitor PD074291
Descriptor: 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Squire, C.J, Baker, E.N.
Deposit date:2008-04-02
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Determinants of Wee1 Inhibitor Selectivity
To be Published
3CR0
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BU of 3cr0 by Molmil
Wee1 kinase complex with inhibitor PD259_809
Descriptor: 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Squire, C.J, Baker, E.N.
Deposit date:2008-04-03
Release date:2009-02-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural determinants of Wee1 inhibitor selectivity
To be Published
3DI1
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BU of 3di1 by Molmil
Crystal structure of the Staphylococcus aureus Dihydrodipicolinate synthase-pyruvate complex
Descriptor: Dihydrodipicolinate synthase, PYRUVIC ACID
Authors:Tavarekere, G.S.
Deposit date:2008-06-19
Release date:2008-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional characterization of Staphylococcus aureus dihydrodipicolinate synthase
Febs Lett., 582, 2008
6S2W
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BU of 6s2w by Molmil
Structure of S. pombe Erh1, a protein important for meiotic mRNA decay in mitosis and meiosis progression.
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ...
Authors:Hazra, D, Graille, M.
Deposit date:2019-06-22
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Formation of S. pombe Erh1 homodimer mediates gametogenic gene silencing and meiosis progression.
Sci Rep, 10, 2020
6GKA
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BU of 6gka by Molmil
20 minute Fe2+ soak structure of SynFtn
Descriptor: CHLORIDE ION, FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2018-05-18
Release date:2019-01-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3DI0
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BU of 3di0 by Molmil
Crystal Structure of Dihydrodipicolinate synthase from Staphylococcus aureus
Descriptor: Dihydrodipicolinate synthase, GLYCEROL
Authors:Tavarekere, G.S.
Deposit date:2008-06-19
Release date:2008-08-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural and functional characterization of Staphylococcus aureus dihydrodipicolinate synthase
Febs Lett., 582, 2008
6BWH
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BU of 6bwh by Molmil
Crystal structure of Mycoibacterium tuberculosis Rv2983 in complex with PEP
Descriptor: 2-phospho-L-lactate guanylyltransferase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE
Authors:Bashiri, G, Jirgis, E.N.M, Baker, E.N.
Deposit date:2017-12-15
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:A revised biosynthetic pathway for the cofactor F420in prokaryotes.
Nat Commun, 10, 2019
6OAP
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BU of 6oap by Molmil
Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state
Descriptor: Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN
Authors:Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y.
Deposit date:2019-03-18
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019

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