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7PW1
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BU of 7pw1 by Molmil
Crystal structure of ancestral haloalkane dehalogenase AncLinB-DmbA
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Mazur, A, Grinkevich, P, Prudnikova, T.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of the Ancestral Haloalkane Dehalogenase AncLinB-DmbA.
Int J Mol Sci, 22, 2021
7AVR
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BU of 7avr by Molmil
The tetrameric structure of haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2
Descriptor: CHLORIDE ION, Haloalkane dehalogenase 1
Authors:Mazur, A, Kolenko, P, Prudnikova, T, Grinkevich, P, Kuta Smatanova, I.
Deposit date:2020-11-05
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2.
Acta Crystallogr D Struct Biol, 77, 2021
4QPF
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BU of 4qpf by Molmil
New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Authors:Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G.
Deposit date:2014-06-23
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
4C4Z
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BU of 4c4z by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8
Descriptor: 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
Authors:Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Y
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BU of 4c4y by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4
Descriptor: 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
Authors:Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4X
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BU of 4c4x by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9
Descriptor: 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
Authors:Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4IE1
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BU of 4ie1 by Molmil
Crystal structure of human Arginase-1 complexed with inhibitor 1h
Descriptor: Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-8-hydroxyoctyl](trihydroxy)borate(1-)
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.0006 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IE3
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BU of 4ie3 by Molmil
Crystal structure of human Arginase-2 complexed with inhbitor 1o
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3522 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4IE2
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BU of 4ie2 by Molmil
Crystal structure of human Arginase-2 complexed with inhibitor 1h
Descriptor: Arginase-2, mitochondrial, BENZAMIDINE, ...
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Beckett, P, Van Zandt, M.C, Ji, M.K, Whitehouse, D, Ryder, T, Jagdmann, E, Andreoli, M, Mazur, A, Padmanilayam, M, Schroeter, H, Golebiowski, A, Podjarny, A.
Deposit date:2012-12-13
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2082 Å)
Cite:2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
2N1F
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BU of 2n1f by Molmil
Structure and assembly of the mouse ASC filament by combined NMR spectroscopy and cryo-electron microscopy
Descriptor: Apoptosis-associated speck-like protein
Authors:Sborgi, L, Ravotti, F, Dandey, V, Dick, M, Mazur, A, Reckel, S, Chami, M, Scherer, S, Bockmann, A, Egelman, E, Stahlberg, H, Broz, P, Meier, B, Hiller, S.
Deposit date:2015-04-01
Release date:2015-10-14
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (4 Å), SOLID-STATE NMR
Cite:Structure and assembly of the mouse ASC inflammasome by combined NMR spectroscopy and cryo-electron microscopy.
Proc.Natl.Acad.Sci.USA, 112, 2015
6YTC
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BU of 6ytc by Molmil
Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter
Descriptor: TonB-dependent receptor
Authors:Rath, P, Mazur, A, Hiller, S.
Deposit date:2020-04-24
Release date:2020-07-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
2MWH
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BU of 2mwh by Molmil
NMR solution structure of ligand-free OAA
Descriptor: Anti-HIV lectin OAA
Authors:Lee, D, Carneiro, M.G, Koharudin, L.M, Griesinger, C, Gronenborn, A.M, Ban, D, Sabo, T, Trigo-Mourino, P, Mazur, A.
Deposit date:2014-11-10
Release date:2015-04-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Sampling of Glycan-Bound Conformers by the Anti-HIV Lectin Oscillatoria agardhii agglutinin in the Absence of Sugar.
Angew.Chem.Int.Ed.Engl., 54, 2015
5OWI
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BU of 5owi by Molmil
The dynamic dimer structure of the chaperone Trigger Factor (conformer 1)
Descriptor: Trigger factor
Authors:Morgado, L, Burmann, B.M, Sharpe, T, Mazur, A, Hiller, S.
Deposit date:2017-09-01
Release date:2017-11-29
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:The dynamic dimer structure of the chaperone Trigger Factor.
Nat Commun, 8, 2017
5OWJ
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BU of 5owj by Molmil
The dynamic dimer structure of the chaperone Trigger Factor (conformer 2)
Descriptor: Trigger factor
Authors:Morgado, L, Burmann, B.M, Sharpe, T, Mazur, A, Hiller, S.
Deposit date:2017-09-01
Release date:2017-11-29
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:The dynamic dimer structure of the chaperone Trigger Factor.
Nat Commun, 8, 2017
4YXS
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BU of 4yxs by Molmil
CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor: N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Schiffer, A, Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-20
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4YXR
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BU of 4yxr by Molmil
CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor.
Descriptor: 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Schiffer, A, Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-27
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
6V5D
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BU of 6v5d by Molmil
EROS3 RDC and NOE Derived Ubiquitin Ensemble
Descriptor: Ubiquitin
Authors:Lange, O.F, Lakomek, N.A, Smith, C.A, Griesinger, C, de Groot, B.L.
Deposit date:2019-12-04
Release date:2020-01-01
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:Enhancing NMR derived ensembles with kinetics on multiple timescales.
J.Biomol.Nmr, 74, 2020
5CMT
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BU of 5cmt by Molmil
Fic protein from Neisseria meningitidis (NmFic) mutant E156R Y183F in dimeric form
Descriptor: Adenosine monophosphate-protein transferase NmFic, CHLORIDE ION, GLYCEROL
Authors:Stanger, F.V, Schirmer, T.
Deposit date:2015-07-17
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Intrinsic regulation of FIC-domain AMP-transferases by oligomerization and automodification.
Proc.Natl.Acad.Sci.USA, 113, 2016
5CGL
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BU of 5cgl by Molmil
Fic protein from Neisseria meningitidis (NmFic) mutant E102R in dimeric form
Descriptor: Adenosine monophosphate-protein transferase NmFic, DI(HYDROXYETHYL)ETHER
Authors:Stanger, F.V, Schirmer, T.
Deposit date:2015-07-09
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Intrinsic regulation of FIC-domain AMP-transferases by oligomerization and automodification.
Proc.Natl.Acad.Sci.USA, 113, 2016
5CKL
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BU of 5ckl by Molmil
Fic protein from Neisseria meningitidis (NmFic) mutant E156R in dimeric form
Descriptor: Adenosine monophosphate-protein transferase NmFic, CHLORIDE ION, GLYCEROL
Authors:Stanger, F.V, Schirmer, T.
Deposit date:2015-07-15
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Intrinsic regulation of FIC-domain AMP-transferases by oligomerization and automodification.
Proc.Natl.Acad.Sci.USA, 113, 2016
6Z9A
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BU of 6z9a by Molmil
Fructo-oligosaccharide transporter BT 1762-63
Descriptor: CHLORIDE ION, MAGNESIUM ION, SusC homolog, ...
Authors:van den Berg, B.
Deposit date:2020-06-03
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6Z8I
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BU of 6z8i by Molmil
Fructo-oligosaccharide transporter BT 1762-63
Descriptor: MAGNESIUM ION, PHOSPHATE ION, SusC homolog, ...
Authors:van den Berg, B.
Deposit date:2020-06-02
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZAZ
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BU of 6zaz by Molmil
Fructo-oligosaccharide transporter BT 1762-63
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:van den Berg, B.
Deposit date:2020-06-06
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZLU
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BU of 6zlu by Molmil
Closed-closed state of the Bt1762-Bt1763 levan transport system
Descriptor: SusC homolog, SusD homolog
Authors:White, J.B.R, van den Berg, B, Ranson, N.A.
Deposit date:2020-07-01
Release date:2020-11-11
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
6ZM1
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BU of 6zm1 by Molmil
Open-closed state of the Bt1762-Bt1763 levan transport system
Descriptor: SusC homolog, SusD homolog
Authors:White, J.B.R, van den Berg, B, Ranson, N.A.
Deposit date:2020-07-01
Release date:2020-11-11
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021

 

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