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2LUM
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BU of 2lum by Molmil
Three-State Ensemble obtained from eNOEs of the Third Immunoglobulin Binding Domain of Protein G (GB3)
Descriptor: Immunoglobulin G-binding protein G
Authors:Vogeli, B, Kazemi, S, Guntert, P, Riek, R.
Deposit date:2012-06-18
Release date:2012-08-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Spatial elucidation of motion in proteins by ensemble-based structure calculation using exact NOEs.
Nat.Struct.Mol.Biol., 19, 2012
8GBD
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BU of 8gbd by Molmil
Homo sapiens Zalpha mutant - P193A
Descriptor: Double-stranded RNA-specific adenosine deaminase
Authors:Langeberg, C.J, Vogeli, B, Nichols, P.J, Henen, M, Vicens, Q.
Deposit date:2023-02-25
Release date:2023-03-22
Last modified:2023-03-29
Method:SOLUTION NMR
Cite:Differential Structural Features of Two Mutant ADAR1p150 Z alpha Domains Associated with Aicardi-Goutieres Syndrome.
J.Mol.Biol., 435, 2023
8GBC
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BU of 8gbc by Molmil
Homo sapiens Zalpha mutant - N173S
Descriptor: Double-stranded RNA-specific adenosine deaminase
Authors:Langeberg, C.J, Nichols, P.J, Henen, M, Vicens, Q, Vogeli, B.
Deposit date:2023-02-25
Release date:2023-03-22
Last modified:2023-03-29
Method:SOLUTION NMR
Cite:Differential Structural Features of Two Mutant ADAR1p150 Z alpha Domains Associated with Aicardi-Goutieres Syndrome.
J.Mol.Biol., 435, 2023
7SUQ
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BU of 7suq by Molmil
Two-state solution NMR structure of Pin1 bound to peptide FFpSPR
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-11-17
Release date:2022-08-17
Method:SOLUTION NMR
Cite:Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
7SUR
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BU of 7sur by Molmil
Two-state solution NMR structure of Pin1 bound to peptide pCDC25c
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-11-17
Release date:2022-08-17
Method:SOLUTION NMR
Cite:Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
6BY4
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BU of 6by4 by Molmil
Single-State 14-mer UUCG Tetraloop calculated from Exact NOEs
Descriptor: RNA (5'-R(P*GP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*C)-3')
Authors:Nichols, P.J, Henen, M.A, Born, A, Strotz, D, Guntert, P, Vogeli, B.
Deposit date:2017-12-19
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:High-resolution small RNA structures from exact nuclear Overhauser enhancement measurements without additional restraints.
Commun Biol, 1, 2018
6BY5
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BU of 6by5 by Molmil
Two-State 14-mer UUCG Tetraloop calculated from Exact NOEs (State one: Conformers 1-5, State Two: Conformers 6-10)
Descriptor: RNA (5'-R(P*GP*GP*CP*AP*CP*UP*UP*CP*GP*GP*UP*GP*CP*C)-3')
Authors:Nichols, P.J, Henen, M.A, Born, A, Strotz, D, Guntert, P, Vogeli, B.
Deposit date:2017-12-19
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:High-resolution small RNA structures from exact nuclear Overhauser enhancement measurements without additional restraints.
Commun Biol, 1, 2018
7SA5
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BU of 7sa5 by Molmil
Two-state solution NMR structure of Apo Pin1
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Born, A, Vogeli, B.
Deposit date:2021-09-22
Release date:2021-10-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Reconstruction of Coupled Intra- and Interdomain Protein Motion from Nuclear and Electron Magnetic Resonance.
J.Am.Chem.Soc., 143, 2021
6SVC
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BU of 6svc by Molmil
Protein allostery of the WW domain at atomic resolution: apo structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-09-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SVE
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BU of 6sve by Molmil
Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-10-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
6SVH
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BU of 6svh by Molmil
Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure
Descriptor: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Strotz, D, Orts, J, Friedmann, M, Guntert, P, Vogeli, B, Riek, R.
Deposit date:2019-09-18
Release date:2020-09-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Protein Allostery at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 59, 2020
6HR7
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BU of 6hr7 by Molmil
HMG-CoA reductase from Methanothermococcus thermolithotrophicus apo form at 2.4 A resolution
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ...
Authors:Wagner, T, Voegeli, B, Erb, T.J, Shima, S.
Deposit date:2018-09-26
Release date:2019-02-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme.
Febs Lett., 593, 2019
6HR8
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BU of 6hr8 by Molmil
HMG-CoA reductase from Methanothermococcus thermolithotrophicus in complex with NADPH at 2.9 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, HMG-CoA reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Wagner, T, Voegeli, B, Erb, T.J, Shima, S.
Deposit date:2018-09-26
Release date:2019-02-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme.
Febs Lett., 593, 2019
6ESQ
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BU of 6esq by Molmil
Structure of the acetoacetyl-CoA thiolase/HMG-CoA synthase complex from Methanothermococcus thermolithotrophicus soaked with acetyl-CoA
Descriptor: CHLORIDE ION, COENZYME A, HydroxyMethylGlutaryl-CoA synthase, ...
Authors:Voegeli, B, Engilberge, S, Girard, E, Riobe, F, Maury, O, Erb, J.T, Shima, S, Wagner, T.
Deposit date:2017-10-24
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6ET9
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BU of 6et9 by Molmil
Structure of the acetoacetyl-CoA-thiolase/HMG-CoA-synthase complex from Methanothermococcus thermolithotrophicus at 2.75 A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acetyl-CoA acetyltransferase thiolase, CHLORIDE ION, ...
Authors:Engilberge, S, Voegeli, B, Girard, E, Riobe, F, Maury, O, Erb, T.J, Shima, S, Wagner, T.
Deposit date:2017-10-25
Release date:2018-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Archaeal acetoacetyl-CoA thiolase/HMG-CoA synthase complex channels the intermediate via a fused CoA-binding site.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6EP8
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BU of 6ep8 by Molmil
InhA Y158F mutant in complex with NADH from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
Authors:Wagner, T, Voegeli, B, Rosenthal, R.G, Stoffel, G, Shima, S, Kiefer, P, Cortina, N, Erb, T.J.
Deposit date:2017-10-11
Release date:2018-09-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:InhA, the enoyl-thioester reductase fromMycobacterium tuberculosisforms a covalent adduct during catalysis.
J. Biol. Chem., 293, 2018
2GTV
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BU of 2gtv by Molmil
NMR structure of monomeric chorismate mutase from Methanococcus jannaschii
Descriptor: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, chorismate mutase
Authors:Vogeli, B.R.
Deposit date:2006-04-28
Release date:2006-10-31
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structure and dynamics of a molten globular enzyme.
Nat.Struct.Mol.Biol., 14, 2007
4WAS
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BU of 4was by Molmil
STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX
Descriptor: CROTONYL COENZYME A, Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, ...
Authors:Quade, N, Voegeli, B, Rosenthal, R, Capitani, G, Erb, T.J.
Deposit date:2014-08-31
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
4W99
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BU of 4w99 by Molmil
Apo-structure of the Y79F,W322E-double mutant of Etr1p
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ...
Authors:Quade, N, Voegeli, B, Rosenthal, R, Erb, T.J.
Deposit date:2014-08-27
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The use of ene adducts to study and engineer enoyl-thioester reductases.
Nat.Chem.Biol., 11, 2015
6OWE
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BU of 6owe by Molmil
Enoyl-CoA carboxylases/reductases in complex with ethylmalonyl CoA
Descriptor: 5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate), Crotonyl-CoA carboxylase/reductase, IMIDAZOLE, ...
Authors:DeMirci, H.
Deposit date:2019-05-09
Release date:2019-06-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Four amino acids define the CO2binding pocket of enoyl-CoA carboxylases/reductases.
Proc.Natl.Acad.Sci.USA, 116, 2019
7QCX
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BU of 7qcx by Molmil
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, apo form
Descriptor: Tyrosine-protein phosphatase non-receptor type 13
Authors:Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R.
Deposit date:2021-11-25
Release date:2022-09-07
Last modified:2022-11-02
Method:SOLUTION NMR
Cite:Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
7QCY
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BU of 7qcy by Molmil
Two-state liquid NMR Structure of a PDZ2 Domain from hPTP1E, complexed with RA-GEF2 peptide
Descriptor: Tyrosine-protein phosphatase non-receptor type 13
Authors:Ashkinadze, D, Kadavath, H, Chi, C, Friedmann, M, Strotz, D, Kumari, P, Minges, M, Cadalbert, R, Koenigl, S, Guentert, P, Voegeli, B, Riek, R.
Deposit date:2021-11-25
Release date:2022-09-07
Last modified:2022-11-02
Method:SOLUTION NMR
Cite:Atomic resolution protein allostery from the multi-state structure of a PDZ domain.
Nat Commun, 13, 2022
7UHC
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BU of 7uhc by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-03-26
Release date:2022-06-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
7UHB
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BU of 7uhb by Molmil
SARS-CoV-2 spike in complex with AHB2-2GS-SB175 (local refinement of the RBD and AHB2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Multivalent miniprotein inhibitor AHB2-2GS-SB175, Spike glycoprotein
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2022-03-26
Release date:2022-06-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Multivalent designed proteins neutralize SARS-CoV-2 variants of concern and confer protection against infection in mice.
Sci Transl Med, 14, 2022
5LB9
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BU of 5lb9 by Molmil
Structure of the T175V Etr1p mutant in the monoclinic form P21
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADPH, B-specific] 1, mitochondrial, ...
Authors:Wagner, T, Rosenthal, R.G, Voegeli, B, Shima, S, Erb, T.J.
Deposit date:2016-06-15
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A conserved threonine prevents self-intoxication of enoyl-thioester reductases.
Nat. Chem. Biol., 13, 2017

 

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