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8K7B
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BU of 8k7b by Molmil
post-occluded structure of human ABCB6 W546A mutant (ADP/VO4-bound)
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, ADP ORTHOVANADATE, ATP-binding cassette sub-family B member 6, ...
Authors:Jin, M.S, Lee, S.S, Park, J.G, Jang, E, Choi, S.H, Kim, S, Kim, J.W.
Deposit date:2023-07-26
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:W546 stacking disruption traps the human porphyrin transporter ABCB6 in an outward-facing transient state.
Commun Biol, 6, 2023
7M8V
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BU of 7m8v by Molmil
Human CYP11B2 in complex with LCI699
Descriptor: 4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile, Cytochrome P450 11B2, mitochondrial, ...
Authors:Scott, E.E, Brixius-Anderko, S.
Deposit date:2021-03-30
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Aldosterone Synthase Structure With Cushing Disease Drug LCI699 Highlights Avenues for Selective CYP11B Drug Design.
Hypertension, 78, 2021
4V1X
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BU of 4v1x by Molmil
The structure of the hexameric atrazine chlorohydrolase, AtzA
Descriptor: ATRAZINE CHLOROHYDROLASE, DI(HYDROXYETHYL)ETHER, FE (III) ION
Authors:Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C.
Deposit date:2014-10-04
Release date:2015-03-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Acta Crystallogr.,Sect.D, 71, 2015
4WHO
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BU of 4who by Molmil
Resting Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5
Descriptor: BETA-MERCAPTOETHANOL, BICARBONATE ION, FE (III) ION, ...
Authors:Knoot, C.J, Lipscomb, J.D.
Deposit date:2014-09-23
Release date:2014-12-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase.
Proc.Natl.Acad.Sci.USA, 112, 2015
4WJZ
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BU of 4wjz by Molmil
Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG)(G141A) from Vibrio cholerae
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, PHOSPHATE ION
Authors:Hou, J, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-10-01
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
4WHQ
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BU of 4whq by Molmil
Alkylperoxo reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 6.5
Descriptor: (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one, 4-fluorobenzene-1,2-diol, BETA-MERCAPTOETHANOL, ...
Authors:Knoot, C.J, Purpero, V.M, Lipscomb, J.D.
Deposit date:2014-09-23
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase.
Proc.Natl.Acad.Sci.USA, 112, 2015
8KGY
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BU of 8kgy by Molmil
Human glutamate dehydrogenase I
Descriptor: Glutamate dehydrogenase 1, mitochondrial
Authors:Su, M.-Y.
Deposit date:2023-08-20
Release date:2023-10-25
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Cryo-EM structure of the KLHL22 E3 ligase bound to an oligomeric metabolic enzyme.
Structure, 31, 2023
6QXR
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BU of 6qxr by Molmil
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA.
Descriptor: CALCIUM ION, COENZYME A, MANGANESE (II) ION, ...
Authors:Nguyen, M.C, Mourey, L, Pedelacq, J.D.
Deposit date:2019-03-07
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
7M2N
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BU of 7m2n by Molmil
Crystal structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-[(5'-{1-(4-carboxy-1,3-thiazol-2-yl)-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-3-yl}-2'-fluoro[1,1'-biphenyl]-4-yl)oxy]-1H-1,2,3-triazole-4-carboxylic acid, ...
Authors:Gumpena, R, Ding, J, Powell, D.A, Lowther, W.T.
Deposit date:2021-03-17
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors for Primary Hyperoxaluria
ACS Medicinal Chemistry Letters, 12, 2021
4WLF
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BU of 4wlf by Molmil
Crystal structure of L-malate bound MDH2
Descriptor: (2S)-2-hydroxybutanedioic acid, Malate dehydrogenase, mitochondrial, ...
Authors:Eo, Y.M, Han, B.G, Ahn, H.C.
Deposit date:2014-10-07
Release date:2015-11-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of L-malate bound MDH2
To Be Published
4WLT
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BU of 4wlt by Molmil
High pressure protein crystallography of hen egg white lysozyme at 190 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
8OK0
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BU of 8ok0 by Molmil
Crystal structure of human NQO1 in complex with the inhibitor PMSF
Descriptor: ACETYL GROUP, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A.
Deposit date:2023-03-26
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF.
Febs Lett., 597, 2023
8SUK
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BU of 8suk by Molmil
Structure of Rhodococcus sp. USK13 DarR-c-di-AMP complex
Descriptor: DNA (5'-D(*AP*A)-3'), DarR, SULFATE ION
Authors:Schumacher, M.A.
Deposit date:2023-05-12
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8T5Y
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BU of 8t5y by Molmil
Structure of Rhodococcus sp. USK13 DarR(K44A)-cAMP complex
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DarR
Authors:Schumacher, M.A.
Deposit date:2023-06-14
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
4WHB
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BU of 4whb by Molmil
Crystal structure of phenylurea hydrolase B
Descriptor: Phenylurea hydrolase B, ZINC ION
Authors:Sugrue, E, Carr, P.D, Khurana, J.L, Jackson, C.J.
Deposit date:2014-09-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.958 Å)
Cite:Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
8SV6
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BU of 8sv6 by Molmil
Structure of the M. smegmatis DarR protein
Descriptor: Fatty acid metabolism regulator protein
Authors:Schumacher, M.A.
Deposit date:2023-05-15
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.56 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8JUA
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BU of 8jua by Molmil
Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin
Descriptor: (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione, Cytochrome P450, FORMIC ACID, ...
Authors:Zhang, Y.L, Zhang, L.P, Zhang, C.S.
Deposit date:2023-06-26
Release date:2023-11-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.00001121 Å)
Cite:A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.
Angew.Chem.Int.Ed.Engl., 62, 2023
4WLN
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BU of 4wln by Molmil
Crystal structure of apo MDH2
Descriptor: Malate dehydrogenase, mitochondrial, PHOSPHATE ION
Authors:Eo, Y.M, Han, B.G, Ahn, H.C.
Deposit date:2014-10-07
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of apo MDH2
To Be Published
4WM6
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BU of 4wm6 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 950 MPa
Descriptor: Lysozyme C, SODIUM ION
Authors:Yamada, H, Watanabe, N, Nagae, T.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
8SVA
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BU of 8sva by Molmil
Structure of the Rhodococcus sp. USK13 DarR-20 bp DNA complex
Descriptor: DNA (5'-D(*TP*AP*GP*AP*TP*AP*CP*TP*CP*CP*GP*GP*AP*GP*TP*AP*TP*CP*TP*A)-3'), PHOSPHATE ION, TetR/AcrR family transcriptional regulator
Authors:Schumacher, M.A.
Deposit date:2023-05-15
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8SUA
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BU of 8sua by Molmil
Structure of M. baixiangningiae DarR-ligand complex
Descriptor: 3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol, DarR
Authors:Schumacher, M.A.
Deposit date:2023-05-11
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
8SVD
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BU of 8svd by Molmil
Structure of M. baixiangningiae DarR-DNA complex reveals novel dimer-of-dimers DNA binding
Descriptor: DNA (5'-D(P*TP*AP*GP*AP*TP*AP*CP*TP*CP*CP*GP*GP*AP*GP*TP*AP*TP*CP*TP*A)-3'), DarR
Authors:Schumacher, M.A.
Deposit date:2023-05-16
Release date:2023-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Structures of the DarR transcription regulator reveal unique modes of second messenger and DNA binding.
Nat Commun, 14, 2023
7MWY
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BU of 7mwy by Molmil
Structure of the drosophila STING cyclic dinucleotide binding domain
Descriptor: STING
Authors:Slavik, K.M, Ragucci, A.E, Kranzusch, P.J.
Deposit date:2021-05-17
Release date:2021-07-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
7MWZ
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BU of 7mwz by Molmil
Structure of drosophila STING in complex with 3'2'-cGAMP
Descriptor: 3'2'-cGAMP, STING
Authors:Slavik, K.M, Ragucci, A.E, Kranzusch, P.J.
Deposit date:2021-05-17
Release date:2021-07-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:cGAS-like receptors sense RNA and control 3'2'-cGAMP signalling in Drosophila.
Nature, 597, 2021
7MR1
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BU of 7mr1 by Molmil
Cryo-EM structure of RecBCD with undocked RecBNuc and flexible RecD C-terminus
Descriptor: RecBCD enzyme subunit RecB, RecBCD enzyme subunit RecC, RecBCD enzyme subunit RecD
Authors:Hao, L, Zhang, R, Lohman, T.M.
Deposit date:2021-05-07
Release date:2021-07-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Heterogeneity in E. coli RecBCD Helicase-DNA Binding and Base Pair Melting.
J.Mol.Biol., 433, 2021

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