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8CKE
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BU of 8cke by Molmil
PBP AccA from A.tumefaciens C58 in complex with agrocinopine A in space group I222
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-15
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C6W
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BU of 8c6w by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 1
Descriptor: Agrocinopine utilization periplasmic binding protein AccA
Authors:Morera, S, Vigouroux, A, Legrand, P.
Deposit date:2023-01-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C6R
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BU of 8c6r by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 4
Descriptor: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-01-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.884 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CH1
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BU of 8ch1 by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine A
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-L-arabinopyranose, 2-O-phosphono-beta-L-arabinopyranose, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-06
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CKD
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BU of 8ckd by Molmil
PBP AccA from A. fabrum C58 in complex with agrocinopine D-like
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, Agrocinopine D-like (C2-C2 linked; with an alpha and beta-D-glucopyranose), ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-15
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CHC
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BU of 8chc by Molmil
PBP AccA from A. vitis S4 in complex with Agrocinopine D-like
Descriptor: Agrocinopine D-like (C2-C2 linked; with two alpha-D-glucopyranoses), Agrocinopine utilization periplasmic binding protein AccA
Authors:Morera, S, Vigouroux, A, Deicsics, G.
Deposit date:2023-02-07
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CDO
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BU of 8cdo by Molmil
PBP AccA-F144YG440Q from A. tumefaciens Bo542 in complex with agrocinopine C-like
Descriptor: 1,2-ETHANEDIOL, 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-01-31
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CI6
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BU of 8ci6 by Molmil
PBP AccA from A. vitis S4 in complex with D-glucose-2-phosphate (G2P)
Descriptor: 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, ABC transporter substrate binding protein (Agrocinopine)
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-02-08
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8C6Y
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BU of 8c6y by Molmil
PBP AccA from A. tumefaciens Bo542 in apoform 2
Descriptor: 1,2-ETHANEDIOL, Agrocinopine utilization periplasmic binding protein AccA
Authors:Morera, S, Vigouroux, A, legrand, P.
Deposit date:2023-01-12
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8CB9
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BU of 8cb9 by Molmil
PBP AccA from A. tumefaciens Bo542 in complex with D-Glucose-2-phosphate
Descriptor: 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-01-25
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
6MWJ
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BU of 6mwj by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0863
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-29
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
7QRW
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BU of 7qrw by Molmil
Crystal structure of NHL domain of TRIM3
Descriptor: GLYCEROL, Isoform 4 of Tripartite motif-containing protein 3, SULFATE ION
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-12
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family.
Iucrj, 9, 2022
6V3M
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BU of 6v3m by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in compomplex with ligand HGN-0961 (BSI110840)
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-11-26
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in compomplex with ligand HGN-0961 (BSI110840)
to be published
6MWK
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BU of 6mwk by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0883
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-29
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
1XZU
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BU of 1xzu by Molmil
T-to-THigh Quaternary Transitions in Human Hemoglobin: alphaD94G deoxy low-salt
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-11-12
Release date:2004-12-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
4YIZ
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BU of 4yiz by Molmil
Crystal structure of engineered TgAMA1 lacking the DII loop in complex with an Eimeria tenella RON2D3 peptide
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Apical membrane antigen AMA1, ...
Authors:Parker, M.L, Boulanger, M.J.
Deposit date:2015-03-02
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Extended Surface Loop on Toxoplasma gondii Apical Membrane Antigen 1 (AMA1) Governs Ligand Binding Selectivity.
Plos One, 10, 2015
1XZV
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BU of 1xzv by Molmil
T-to-THigh Quaternary Transitions in Human Hemoglobin: alphaP95A deoxy low-salt
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2004-11-12
Release date:2004-12-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
6VCV
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BU of 6vcv by Molmil
Aspergillus fumigatus FKBP12 protein bound with APX879 in P1 space group
Descriptor: FK506-binding protein 1A, N'-[(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-1,20,21-trioxo-8-(prop-2-en-1-yl)-1,3,4,5,6,8,11,12,13,14,15,16,17,18,19,20,21,23,24,25,26,26a-docosahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosin-7-ylidene]acetohydrazide
Authors:Gobeil, S, Spicer, L.
Deposit date:2019-12-23
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Mbio, 12, 2021
6JDW
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BU of 6jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH GAMMA-AMINO BUTYRIC ACID
Descriptor: GAMMA-AMINO-BUTANOIC ACID, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
Authors:Fritsche, E, Humm, A, Huber, R.
Deposit date:1998-10-12
Release date:1999-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
6ZLJ
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BU of 6zlj by Molmil
Crystal Structure of UDP-Glucuronic acid 4-epimerase Y149F mutant from Bacillus cereus in complex with UDP-4-DEOXY-4-FLUORO-Glucuronic acid and NAD
Descriptor: (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Iacovino, L.G, Mattevi, A.
Deposit date:2020-06-30
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
1MUM
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BU of 1mum by Molmil
Structure of the 2-Methylisocitrate Lyase (PrpB) from Escherichia coli
Descriptor: 2-methylisocitrate lyase, MAGNESIUM ION
Authors:Grimm, C, Reuter, K.
Deposit date:2002-09-24
Release date:2003-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of 2-methylisocitrate lyase (PrpB) from Escherichia coli and modelling of its ligand bound active centre.
J.Mol.Biol., 328, 2003
1YOK
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BU of 1yok by Molmil
crystal structure of human LRH-1 bound with TIF-2 peptide and phosphatidylglycerol
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Nuclear receptor coactivator 2, Orphan nuclear receptor NR5A2
Authors:Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, MacKay, J.A, Juzumiene, D, Bynum, J.M, Madauss, K, Montana, V, Lebedeva, L, Suzawa, M, Williams, J.D, Williams, S.P, Guy, R.K, Thornton, J.W, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
Deposit date:2005-01-27
Release date:2005-07-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1.
Cell(Cambridge,Mass.), 120, 2005
1YIE
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BU of 1yie by Molmil
T-to-thigh quaternary transitions in human hemoglobin: betaW37A oxy (2.2MM IHP, 13% PEG) (1 test set)
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ...
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A.
Deposit date:2005-01-11
Release date:2005-01-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
5OH2
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BU of 5oh2 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pyrrolidin-2-one (Butyrolactam)
Descriptor: Cereblon isoform 4, ZINC ION, pyrrolidin-2-one
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
5OHB
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BU of 5ohb by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Piperidin-2-one (Valerolactam)
Descriptor: Cereblon isoform 4, ZINC ION, piperidin-2-one
Authors:Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D.
Deposit date:2017-07-14
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018

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PDB entries from 2024-09-04

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