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5DUF
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BU of 5duf by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A
Descriptor: (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, Probable enoyl-CoA hydratase echA6
Authors:Cox, J.A.G, Besra, G.S, Futterer, K.
Deposit date:2015-09-18
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
5DU6
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BU of 5du6 by Molmil
Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A.
Descriptor: (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6
Authors:Cox, J.A.G, Besra, G.S, Futterer, K.
Deposit date:2015-09-18
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
6YMV
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BU of 6ymv by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase partially-melted transcription initiation complex (PmIC)
Descriptor: DNA (33-MER) NON-TEMPLATE, DNA (33-MER) template, DNA-directed RNA polymerase, ...
Authors:Das, K, Patel, S.S.
Deposit date:2020-04-10
Release date:2020-12-02
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM Structures Reveal Transcription Initiation Steps by Yeast Mitochondrial RNA Polymerase.
Mol.Cell, 81, 2021
6YMW
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BU of 6ymw by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex
Descriptor: Chains: N, Chains: T, DNA-directed RNA polymerase, ...
Authors:Das, K, Patel, S.S.
Deposit date:2020-04-10
Release date:2020-12-09
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Cryo-EM Structures Reveal Transcription Initiation Steps by Yeast Mitochondrial RNA Polymerase.
Mol.Cell, 81, 2021
6JQV
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BU of 6jqv by Molmil
Crystal structure of Arabidopsis thaliana NRP2
Descriptor: NAP1-related protein 2
Authors:Kumar, A, Vasudevan, D.
Deposit date:2019-04-01
Release date:2019-07-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Structural Characterization ofArabidopsis thalianaNAP1-Related Protein 2 (AtNRP2) and Comparison with its Homolog AtNRP1.
Molecules, 24, 2019
8AUM
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BU of 8aum by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8CUH
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BU of 8cuh by Molmil
Crystal structure of human TEAD2 complexed with its inhibitor TM2.
Descriptor: 4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide, Transcriptional enhancer factor TEF-4
Authors:Liu, S, Luo, X.
Deposit date:2022-05-17
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a new class of reversible TEA-domain transcription factor inhibitors with a novel binding mode.
Elife, 11, 2022
7N8E
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BU of 7n8e by Molmil
PptT PAP(CoA) 9056 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-14
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8M
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BU of 7n8m by Molmil
PptT PAP(CoA) 8978B complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8L
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BU of 7n8l by Molmil
PptT PAP(CoA) 9016 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
3U2D
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BU of 3u2d by Molmil
S. aureus GyrB ATPase domain in complex with small molecule inhibitor
Descriptor: 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
Authors:Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
Deposit date:2011-10-03
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
3U2K
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BU of 3u2k by Molmil
S. aureus GyrB ATPase domain in complex with a small molecule inhibitor
Descriptor: 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION
Authors:Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A.
Deposit date:2011-10-03
Release date:2012-01-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.
Antimicrob.Agents Chemother., 56, 2012
7DHB
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BU of 7dhb by Molmil
mutant V507M coiled coil domain of Trypanosoma brucei coronin
Descriptor: Coronin
Authors:Parihar, P.S, Pratap, J.V.
Deposit date:2020-11-13
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural insights into kinetoplastid coronin oligomerization domain and F-actin interaction
Curr Res Struct Biol, 3, 2021
7DH4
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BU of 7dh4 by Molmil
Double mutant- V493I-V507M coiled coil domain of Trypanosoma brucei coronin
Descriptor: Coronin
Authors:Parihar, P.S, Pratap, J.V.
Deposit date:2020-11-12
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural insights into kinetoplastid coronin oligomerization domain and F-actin interaction
Curr Res Struct Biol, 3, 2021
7DGX
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BU of 7dgx by Molmil
Structure of coiled coil domain of Trypanosoma brucei coronin
Descriptor: Coronin
Authors:Parihar, P.S, Karade, S.S, Pratap, J.V.
Deposit date:2020-11-12
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural insights into kinetoplastid coronin oligomerization domain and F-actin interaction
Curr Res Struct Biol, 3, 2021
4LS9
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BU of 4ls9 by Molmil
Structure of mycobacterial nrnA homolog reveals multifunctional nuclease activities
Descriptor: DHH family protein, GLYCEROL, MANGANESE (II) ION
Authors:Kumar, D, Srivastav, R, Grover, A, Manjasetty, B.A, Sharma, R, Taneja, B.
Deposit date:2013-07-22
Release date:2014-07-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique subunit packing in mycobacterial nanoRNase leads to alternate substrate recognitions in DHH phosphodiesterases
Nucleic Acids Res., 42, 2014
8A8I
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BU of 8a8i by Molmil
Xenobiotic reductase A from Pseudomonas putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-06-23
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUI
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BU of 8aui by Molmil
Xenobiotic reductase A Y27F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUB
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BU of 8aub by Molmil
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUQ
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BU of 8auq by Molmil
OPR3 Y370F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUF
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BU of 8auf by Molmil
XenA Y183F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUE
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BU of 8aue by Molmil
12-oxophytodienoate reductase 3 (OPR3) from Solanum lycopersicum in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUN
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BU of 8aun by Molmil
OPR3 Y370F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUO
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BU of 8auo by Molmil
OPR3 Y370F variant in complex with 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 12-oxophytodienoate reductase 3, 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate, FLAVIN MONONUCLEOTIDE
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUJ
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BU of 8auj by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
Descriptor: 1,2-ETHANEDIOL, 12-oxophytodienoate reductase 3, FLAVIN MONONUCLEOTIDE, ...
Authors:Polidori, N, Gruber, K.
Deposit date:2022-08-25
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023

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