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6XQZ
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BU of 6xqz by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 7.5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidoglycan D,D-transpeptidase PenA, ...
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQY
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BU of 6xqy by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae at pH 9.5
Descriptor: CHLORIDE ION, Probable peptidoglycan D,D-transpeptidase PenA
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6XQX
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BU of 6xqx by Molmil
Crystal structure of the catalytic domain of PBP2 S310A from Neisseria gonorrhoeae with the H514A mutation at pH 7.5
Descriptor: 1,2-ETHANEDIOL, Probable peptidoglycan D,D-transpeptidase PenA, SULFATE ION
Authors:Fenton, B.A, Zhou, P, Davies, C.
Deposit date:2020-07-10
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mutations in PBP2 from ceftriaxone-resistant Neisseria gonorrhoeae alter the dynamics of the beta 3-beta 4 loop to favor a low-affinity drug-binding state.
J.Biol.Chem., 297, 2021
6Y3W
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BU of 6y3w by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1
Descriptor: 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-19
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
5OE0
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BU of 5oe0 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-181
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S, Thomassen, A.M.
Deposit date:2017-07-07
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.0500083 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
Descriptor: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
Authors:Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
Deposit date:2016-04-24
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
5G5D
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BU of 5g5d by Molmil
Crystal Structure of the CohScaC2-XDocCipA type II complex from Clostridium thermocellum
Descriptor: CALCIUM ION, CELLULOSOMAL-SCAFFOLDING PROTEIN A, CELLULOSOME ANCHORING PROTEIN COHESIN REGION
Authors:Carvalho, A.L, A Bras, J.L, Najmudin, S.H, Pinheiro, B.A, Fontes, C.M.G.A.
Deposit date:2016-05-23
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Diverse specificity of cellulosome attachment to the bacterial cell surface.
Sci Rep, 6, 2016
6Y1D
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BU of 6y1d by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (DBD) phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Estrogen related receptor gamma phosphopeptide, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-12
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
5ODZ
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BU of 5odz by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-163
Descriptor: Beta-lactamase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S.
Deposit date:2017-07-07
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
Descriptor: Beta-lactamase
Authors:Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
6Y58
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BU of 6y58 by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide
Descriptor: 14-3-3 protein sigma, Estrogen Related Receptor gamma phosphopeptide, MAGNESIUM ION
Authors:Somsen, B.A, Sijbesma, E, Leijten-van de Gevel, I.A, Ottmann, C.
Deposit date:2020-02-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
5HVX
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BU of 5hvx by Molmil
Full length Wild-Type Open-form Sodium Channel NavMs
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, ...
Authors:Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A.
Deposit date:2016-01-28
Release date:2017-03-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
5OSY
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BU of 5osy by Molmil
Human Decapping Scavenger enzyme (hDcpS) in complex with m7G(5'S)ppSp(5'S)G mRNA 5' cap analog
Descriptor: GLYCEROL, [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl]oxy-phosphinic acid, m7GpppX diphosphatase
Authors:Warminski, M, Nowak, E, Wojtczak, B.A, Fac-Dabrowska, K, Kubacka, D, Nowicka, A, Sikorski, P.J, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2017-08-18
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes.
J. Am. Chem. Soc., 140, 2018
6Y18
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BU of 6y18 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3
Descriptor: 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
5OSX
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BU of 5osx by Molmil
Translation initiation factor 4E in complex with m7G(5'S)ppp(5'S)G mRNA 5' cap analog
Descriptor: Eukaryotic translation initiation factor 4E, POTASSIUM ION, [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{R},4~{S})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid
Authors:Warminski, M, Nowak, E, Wojtczak, B.A, Fac-Dabrowska, K, Kubacka, D, Nowicka, A, Sikorski, P.J, Kowalska, J, Jemielity, J, Nowotny, M.
Deposit date:2017-08-18
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:5'-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes.
J. Am. Chem. Soc., 140, 2018
5HPS
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BU of 5hps by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1 and UbV P1.1
Descriptor: Ubiquitin variant P1.1, WWP1 HECT
Authors:Wu, K.-P, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
7NSB
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BU of 7nsb by Molmil
Supramolecular assembly module of yeast Chelator-GID SR4 E3 ubiquitin ligase
Descriptor: Glucose-induced degradation protein 7, Glucose-induced degradation protein 8, Vacuolar import and degradation protein 30
Authors:Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
7NSC
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BU of 7nsc by Molmil
Substrate receptor scaffolding module of human CTLH E3 ubiquitin ligase
Descriptor: Glucose-induced degradation protein 4 homolog, Glucose-induced degradation protein 8 homolog, Isoform 2 of Armadillo repeat-containing protein 8, ...
Authors:Chrustowicz, J, Sherpa, D, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
7NS5
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BU of 7ns5 by Molmil
Structure of yeast Fbp1 (Fructose-1,6-bisphosphatase 1)
Descriptor: Fructose-1,6-bisphosphatase, MAGNESIUM ION, PHOSPHATE ION
Authors:Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
7NS4
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BU of 7ns4 by Molmil
Catalytic module of yeast Chelator-GID SR4 E3 ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase RMD5, Protein FYV10, ZINC ION
Authors:Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
7NS3
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BU of 7ns3 by Molmil
Substrate receptor scaffolding module of yeast Chelator-GID SR4 E3 ubiquitin ligase bound to Fbp1 substrate
Descriptor: BJ4_G0018240.mRNA.1.CDS.1, Fructose-bisphosphatase, Glucose-induced degradation protein 8, ...
Authors:Sherpa, D, Chrustowicz, J, Prabu, J.R, Schulman, B.A.
Deposit date:2021-03-05
Release date:2021-05-05
Last modified:2021-07-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:GID E3 ligase supramolecular chelate assembly configures multipronged ubiquitin targeting of an oligomeric metabolic enzyme.
Mol.Cell, 81, 2021
6YZ0
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BU of 6yz0 by Molmil
Full length Open-form Sodium Channel NavMs F208L in complex with Cannabidiol (CBD)
Descriptor: 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol, DODECAETHYLENE GLYCOL, HEGA-10, ...
Authors:Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A.
Deposit date:2020-05-06
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
5HPK
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BU of 5hpk by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: NEDD4L and UbV NL.1
Descriptor: E3 ubiquitin-protein ligase NEDD4-like, Ubiquitin variant NL.1
Authors:Wu, K.-P, Mukherjee, M, Mercredi, P.Y, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPT
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BU of 5hpt by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: WWP1, Ubv P2.3 and UBCH7
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP1, Ubiquitin variant P2.3, Ubiquitin-conjugating enzyme E2 L3
Authors:Wu, K.-P, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
5HPL
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BU of 5hpl by Molmil
System-wide modulation of HECT E3 ligases with selective ubiquitin variant probes: Rsp5 and UbV R5.4
Descriptor: Rsp5, Ubiquitin variant R5.4
Authors:Wu, K.-P, Kamadurai, H.B, Schulman, B.A.
Deposit date:2016-01-20
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016

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