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2GJH
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BU of 2gjh by Molmil
NMR Structure of CFr (C-terminal fragment of computationally designed novel-topology protein Top7)
Descriptor: DESIGNED PROTEIN
Authors:Dantas, G.
Deposit date:2006-03-30
Release date:2006-10-17
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Mis-translation of a Computationally Designed Protein Yields an Exceptionally Stable Homodimer: Implications for Protein Engineering and Evolution.
J.Mol.Biol., 362, 2006
2A3J
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BU of 2a3j by Molmil
Structure of URNdesign, a complete computational redesign of human U1A protein
Descriptor: U1 small nuclear ribonucleoprotein A
Authors:Varani, G, Dobson, N, Dantas, G, Baker, D.
Deposit date:2005-06-24
Release date:2006-06-06
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:High-Resolution Structural Validation of the Computational Redesign of Human U1A Protein
Structure, 14, 2006
1QYS
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BU of 1qys by Molmil
Crystal structure of Top7: A computationally designed protein with a novel fold
Descriptor: TOP7
Authors:Kuhlman, B, Dantas, G, Ireton, G.C, Varani, G, Stoddard, B.L, Baker, D.
Deposit date:2003-09-11
Release date:2003-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of a Novel Globular Protein Fold with Atomic-Level Accuracy
Science, 302, 2003
2GJF
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BU of 2gjf by Molmil
NMR structure of the computationally designed procarboxypeptidase-A (1AYE) domain
Descriptor: DESIGNED PROTEIN
Authors:Reichow, S.
Deposit date:2006-03-30
Release date:2007-01-16
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:High-resolution structural and thermodynamic analysis of extreme stabilization of human procarboxypeptidase by computational protein design.
J.Mol.Biol., 366, 2007
1VJQ
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BU of 1vjq by Molmil
Designed protein based on backbone conformation of procarboxypeptidase-A (1AYE) with sidechains chosen for maximal predicted stability.
Descriptor: designed protein
Authors:Merritt, E.A, Baker, D, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2004-03-19
Release date:2004-03-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Designed protein based on backbone conformation of procarboxypeptidase-A (1AYE) with sidechains chosen for maximal predicted stability.
To be Published
5HT0
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BU of 5ht0 by Molmil
Crystal structure of an Antibiotic_NAT family aminoglycoside acetyltransferase HMB0038 from an uncultured soil metagenomic sample in complex with coenzyme A
Descriptor: Aminoglycoside acetyltransferase HMB0005, COENZYME A, SULFATE ION
Authors:Xu, Z, Stogios, P.J, Wawrzak, Z, Skarina, T, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-26
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
8ER1
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BU of 8er1 by Molmil
X-ray crystal structure of Tet(X6)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase
Authors:Kumar, H, Tolia, N.H.
Deposit date:2022-10-11
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of anhydrotetracycline-bound Tet(X6) reveals the mechanism for inhibition of type 1 tetracycline destructases.
Commun Biol, 6, 2023
8ER0
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BU of 8er0 by Molmil
X-ray crystal structure of Tet(X6) bound to anhydrotetracycline
Descriptor: 5A,6-ANHYDROTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent monooxygenase
Authors:Kumar, H, Tolia, N.H.
Deposit date:2022-10-11
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of anhydrotetracycline-bound Tet(X6) reveals the mechanism for inhibition of type 1 tetracycline destructases.
Commun Biol, 6, 2023
6WG9
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BU of 6wg9 by Molmil
Crystal structure of tetracycline destructase Tet(X7)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Tetracycline destructase Tet(X7)
Authors:Kumar, H, Tolia, N.H.
Deposit date:2020-04-05
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Tetracycline-inactivating enzymes from environmental, human commensal, and pathogenic bacteria cause broad-spectrum tetracycline resistance.
Commun Biol, 3, 2020
5F49
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BU of 5f49 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with malonyl-coenzyme A
Descriptor: COENZYME A, MAGNESIUM ION, MALONYL-COENZYME A, ...
Authors:Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-03
Release date:2015-12-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
5F46
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BU of 5f46 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample, apoenzyme form
Descriptor: CHLORIDE ION, aminoglycoside acetyltransferase meta-AAC0020
Authors:Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-03
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
5F48
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BU of 5f48 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with coenzyme A
Descriptor: CHLORIDE ION, COENZYME A, MAGNESIUM ION, ...
Authors:Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-03
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
5F47
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BU of 5f47 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose
Descriptor: CALCIUM ION, CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
Authors:Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-12-03
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
7KES
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BU of 7kes by Molmil
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in complex with apramycin and CoA
Descriptor: APRAMYCIN, Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, ...
Authors:Stogios, P.J, Skarina, T, Michalska, K, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-10-12
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
7LAP
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BU of 7lap by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-Xa
Descriptor: Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, D(-)-TARTARIC ACID, ...
Authors:Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-01-06
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
7LAO
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BU of 7lao by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IIb
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Aminoglycoside N(3)-acetyltransferase III, MAGNESIUM ION
Authors:Stogios, P.J, Evdokimova, E, Osipiuk, J, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-01-06
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MN5
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BU of 6mn5 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with gentamicin C1A
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
Authors:Stogios, P.J, Evdokimova, E, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MMZ
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BU of 6mmz by Molmil
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H29A mutant apoenzyme
Descriptor: Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, SULFATE ION
Authors:Stogios, P.J, Skarina, T, Xu, Z, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MN4
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BU of 6mn4 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with apramycin
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APRAMYCIN, ...
Authors:Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MN3
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BU of 6mn3 by Molmil
Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, apoenzyme
Descriptor: Aminoglycoside N(3)-acetyltransferase, AAC(3)-IVa, CHLORIDE ION, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
6MN0
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BU of 6mn0 by Molmil
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H168A mutant in complex with acetyl-CoA
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETYL COENZYME *A, Aminoglycoside N(3)-acetyltransferase, ...
Authors:Stogios, P.J, Skarina, T, Zu, X, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-10-01
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
5TUI
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BU of 5tui by Molmil
Crystal structure of tetracycline destructase Tet(50) in complex with chlortetracycline
Descriptor: 7-CHLOROTETRACYCLINE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-06
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
5TUE
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BU of 5tue by Molmil
Crystal structure of tetracycline destructase Tet(50)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, Tetracycline destructase Tet(50)
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-05
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
5TUK
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BU of 5tuk by Molmil
Crystal structure of tetracycline destructase Tet(51)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Tetracycline destructase Tet(51)
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-06
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
5TUM
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BU of 5tum by Molmil
Crystal structure of tetracycline destructase Tet(56)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, tetracycline destructase Tet(56)
Authors:Park, J, Tolia, N.H.
Deposit date:2016-11-06
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017

 

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