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6RCP
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BU of 6rcp by Molmil
Crystal structure of the OmpK36 clinical isolate ST258 from Klebsiella pneumonia
Descriptor: OmpK36
Authors:Beis, K, Romano, M, Kwong, J.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.231 Å)
Cite:OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
6RD3
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BU of 6rd3 by Molmil
Crystal structure of the wild type OmpK36 from Klebsiella pneumonia
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36
Authors:Beis, K, Romano, M, Kwong, J.
Deposit date:2019-04-12
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
6RCK
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BU of 6rck by Molmil
Crystal structure of the OmpK36 GD insertion chimera from Klebsiella pneumonia
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, ...
Authors:Beis, K, Romano, M, Kwong, J.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.029 Å)
Cite:OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
1A3A
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BU of 1a3a by Molmil
CRYSTAL STRUCTURE OF IIA MANNITOL FROM ESCHERICHIA COLI
Descriptor: MANNITOL-SPECIFIC EII
Authors:Van Montfort, R.L.M, Pijning, T, Kalk, K.H, Hangyi, I, Kouwijzer, M.L.C.E, Robillard, G.T, Dijkstra, B.W.
Deposit date:1998-01-19
Release date:1998-08-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of the Escherichia coli phosphotransferase IIAmannitol reveals a novel fold with two conformations of the active site.
Structure, 6, 1998
3ZPY
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BU of 3zpy by Molmil
Crystal structure of the marine PL7 alginate lyase AlyA1 from Zobellia galactanivorans
Descriptor: ALGINATE LYASE, FAMILY PL7, SODIUM ION
Authors:Thomas, F, Jeudy, A, Michel, G, Czjzek, M.
Deposit date:2013-03-04
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Comparative Characterization of Two Marine Alginate Lyases from Zobellia Galactanivorans Reveals Distinct Modes of Action and Exquisite Adaptation to Their Natural Substrate.
J.Biol.Chem., 288, 2013
7UMJ
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BU of 7umj by Molmil
Crystal structure of recombinant Solieria filiformis lectin (rSfL)
Descriptor: Lectin SfL-1, SULFATE ION
Authors:Chaves, R.P, Bezerra, E.H.S, da Silva, F.M.S, Carneiro, R.F, Sampaio, A.H, Rocha, B.A.M, Nagano, C.S.
Deposit date:2022-04-07
Release date:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural study and antimicrobial and wound healing effects of lectin from Solieria filiformis (Kutzing) P.W.Gabrielson.
Biochimie, 214, 2023
4BE3
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BU of 4be3 by Molmil
crystal structure of the exolytic PL7 alginate lyase AlyA5 from Zobellia galactanivorans
Descriptor: ALGINATE LYASE, FAMILY PL7, D(-)-TARTARIC ACID, ...
Authors:Thomas, F, Jeudy, A, Michel, G, Czjzek, M.
Deposit date:2013-03-05
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comparative Characterization of Two Marine Alginate Lyases from Zobellia Galactanivorans Reveals Distinct Modes of Action and Exquisite Adaptation to Their Natural Substrate.
J.Biol.Chem., 288, 2013
6MKQ
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BU of 6mkq by Molmil
Carbapenemase VCC-1 bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Mark, B.L, Vadlamani, G.
Deposit date:2018-09-26
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam.
Antimicrob. Agents Chemother., 63, 2019
6SXC
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BU of 6sxc by Molmil
Crystal structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with 4-hydroxytamoxifen (2.5 Angstrom resolution)
Descriptor: 4-HYDROXYTAMOXIFEN, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
6SXF
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BU of 6sxf by Molmil
Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Tamoxifen (2.8 Angstrom resolution)
Descriptor: (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.839 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
6SX7
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BU of 6sx7 by Molmil
Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) (2.2 Angstrom resolution)
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
6SXG
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BU of 6sxg by Molmil
Crystal Structure of the Voltage-Gated Sodium Channel NavMs in complex with 4-hydroxytamoxifen (2.4 Angstrom resolution)
Descriptor: 4-HYDROXYTAMOXIFEN, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
6HXA
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BU of 6hxa by Molmil
AntI from P. luminescens catalyses terminal polyketide shortening in the biosynthesis of anthraquinones
Descriptor: AntI, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Zhou, Q, Braeuer, A, Grammbitter, G, Schmalhofer, M, Saura, P, Adihou, H, Kaila, V.R.I, Groll, M, Bode, H.
Deposit date:2018-10-16
Release date:2019-08-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular mechanism of polyketide shortening in anthraquinone biosynthesis ofPhotorhabdus luminescens.
Chem Sci, 10, 2019
6SXE
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BU of 6sxe by Molmil
Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with Endoxifen (2.6 Angstrom resolution)
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, Endoxifen, HEGA-10, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
6SX5
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BU of 6sx5 by Molmil
Full length Mutant Open-form Sodium Channel NavMs
Descriptor: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
Authors:Sula, A, Hollingworth, D, Wallace, B.A.
Deposit date:2019-09-25
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
5FP5
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BU of 5fp5 by Molmil
Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site.
Descriptor: 4-fluorobenzoic acid, ACETYL GROUP, CYCLIN-DEPENDENT KINASE 2
Authors:Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-11-27
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FP6
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BU of 5fp6 by Molmil
Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site.
Descriptor: 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2
Authors:Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-11-27
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
7PZF
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BU of 7pzf by Molmil
Crystal structure of the OmpK36 TD insertion chimera from Klebsiella pneumonia
Descriptor: LITHIUM ION, OmpK36, TETRADECANE
Authors:Kwong, H, Beis, K.
Deposit date:2021-10-12
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
7Q3T
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BU of 7q3t by Molmil
Crystal structure of the OmpK36 D insertion chimera from Klebsiella pneumonia
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LITHIUM ION, OmpK36
Authors:Kwong, H, Beis, K.
Deposit date:2021-10-28
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae.
Plos Pathog., 18, 2022
5JUH
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BU of 5juh by Molmil
Crystal structure of C-terminal domain (RV) of MpAFP
Descriptor: Antifreeze protein, CALCIUM ION
Authors:Guo, S.
Deposit date:2016-05-10
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
5K8G
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BU of 5k8g by Molmil
Crystal structure of a putative peptide-binding domain of MpAFP
Descriptor: Antifreeze protein, CALCIUM ION
Authors:Guo, S, Campbell, R, Davies, P.
Deposit date:2016-05-30
Release date:2017-09-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
5J6Y
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BU of 5j6y by Molmil
Crystal structure of PA14 domain of MpAFP Antifreeze protein
Descriptor: Antifreeze protein, CALCIUM ION, alpha-D-glucopyranose, ...
Authors:Guo, S.
Deposit date:2016-04-05
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
5IRB
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BU of 5irb by Molmil
Structural insight into host cell surface retention of a 1.5-MDa bacterial ice-binding adhesin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, MAGNESIUM ION, ...
Authors:Guo, S, Phippen, S, Campbell, R, Davies, P.
Deposit date:2016-03-12
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
5MRI
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BU of 5mri by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 18
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2016-12-23
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
5MRH
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BU of 5mrh by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one, Sortilin, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2016-12-23
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017

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