6PU3
 
 | | ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori | | Descriptor: | Heme-binding protein A, SER-THR-SER-ALA | | Authors: | Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A. | | Deposit date: | 2019-07-16 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori.
J.Bacteriol., 201, 2019
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7AYC
 | | Crystal Structure of human mitochondrial 2-Enoyl Thioester Reductase (MECR) with single mutation G165Q | | Descriptor: | CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, mitochondrial | | Authors: | Rahman, M.T, Koski, M.K, Autio, K.J, Kastaniotis, A.J, Wierenga, R.K, Hiltunen, J.K. | | Deposit date: | 2020-11-12 | | Release date: | 2022-06-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | An engineered variant of MECR reductase reveals indispensability of long-chain acyl-ACPs for mitochondrial respiration.
Nat Commun, 14, 2023
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7AYB
 | | Crystal Structure of wild type human mitochondrial 2-Enoyl Thioester Reductase (MECR) | | Descriptor: | ACETIC ACID, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, ... | | Authors: | Rahman, M.T, Koski, M.K, Autio, K.J, Kastaniotis, A.J, Wierenga, R.K, Hiltunen, J.K. | | Deposit date: | 2020-11-12 | | Release date: | 2022-06-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An engineered variant of MECR reductase reveals indispensability of long-chain acyl-ACPs for mitochondrial respiration.
Nat Commun, 14, 2023
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6OFQ
 | | ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori in complex with peptide STSA | | Descriptor: | Heme-binding protein A / AI-2 binding protein A, SER-THR-SER-ALA | | Authors: | Rahman, M.M, Machuca, M.A, Khan, M.F, Barlow, C.K, Schittenhelm, R.B, Roujeinikova, A. | | Deposit date: | 2019-03-31 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Molecular Basis of Unexpected Specificity of ABC Transporter-Associated Substrate-Binding Protein DppA from Helicobacter pylori.
J.Bacteriol., 201, 2019
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3HOK
 | | X-ray Crystal Structure of Human Heme Oxygenase-1 with (2R, 4S)-2-[2-(4-Chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4[((5-trifluoromethylpyridin-2-yl)thio)methyl]-1,3-dioxolane: A Novel, Inducible Binding Mode | | Descriptor: | 2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Rahman, M.N, Jia, Z. | | Deposit date: | 2009-06-02 | | Release date: | 2009-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | X-ray crystal structure of human heme oxygenase-1 with (2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4[((5-trifluoromethylpyridin-2-yl)thio)methyl]-1,3-dioxolane: a novel, inducible binding mode.
J.Med.Chem., 52, 2009
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3K4F
 | | X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone | | Descriptor: | 4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one, HEXANE-1,6-DIOL, Heme oxygenase 1, ... | | Authors: | Rahman, M.N, Jia, Z. | | Deposit date: | 2009-10-05 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Heme Oxygenase Inhibition by 2-Oxy-substituted 1-Azolyl-4-phenylbutanes: Effect of Variation of the Azole Moiety. X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone.
Chem.Biol.Drug Des., 75, 2010
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5OYN
 | | Crystal structure of D-xylonate dehydratase in holo-form | | Descriptor: | Dehydratase, IlvD/Edd family, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rahman, M.M, Rouvinen, J, Hakulinen, N. | | Deposit date: | 2017-09-11 | | Release date: | 2018-01-24 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of D-xylonate dehydratase reveals functional features of enzymes from the Ilv/ED dehydratase family.
Sci Rep, 8, 2018
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5J84
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5GJ3
 | | Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in two-heme bound form (holo-2) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Periplasmic binding protein, ZINC ION | | Authors: | Rahman, M.M, Naoe, Y, Nakamura, N, Shiro, Y, Sugimoto, H. | | Deposit date: | 2016-06-26 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for binding and transfer of heme in bacterial heme-acquisition systems.
Proteins, 85, 2017
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5J83
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5J85
 | | Ser480Ala mutant of L-arabinonate dehydratase | | Descriptor: | Dihydroxyacid dehydratase/phosphogluconate dehydratase, FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION | | Authors: | Rahman, M.M, Rouvinen, J, Hakulinen, N. | | Deposit date: | 2016-04-07 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Crystal Structure of a Bacterial l-Arabinonate Dehydratase Contains a [2Fe-2S] Cluster.
ACS Chem. Biol., 12, 2017
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6UWZ
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with alpha-bungarotoxin | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ... | | Authors: | Rahman, M.M, Teng, J, Worrell, B.T, Noveillo, C.M, Lee, M, Karlin, A, Stowell, M, Hibbs, R.E. | | Deposit date: | 2019-11-06 | | Release date: | 2020-04-15 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Structure of the Native Muscle-type Nicotinic Receptor and Inhibition by Snake Venom Toxins.
Neuron, 106, 2020
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3TGM
 | | X-Ray Crystal Structure of Human Heme Oxygenase-1 in Complex with 1-(1H-imidazol-1-yl)-4,4-diphenyl-2 butanone | | Descriptor: | 1-(1H-imidazol-1-yl)-4,4-diphenylbutan-2-one, HEXANE-1,6-DIOL, Heme oxygenase 1, ... | | Authors: | Rahman, M.N, Jia, Z. | | Deposit date: | 2011-08-17 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A novel, "double-clamp" binding mode for human heme oxygenase-1 inhibition.
Plos One, 7, 2012
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8J26
 | | CryoEM structure of SARS CoV-2 RBD and Aptamer complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-4, AM047-6, ... | | Authors: | Rahman, M.S, Jang, S.K, Lee, J.O. | | Deposit date: | 2023-04-14 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
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8J1Q
 | | CryoEM structure of SARS CoV-2 RBD and Aptamer complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM032-0, AM047-0, ... | | Authors: | Rahman, M.S, Jang, S.K, Lee, J.O. | | Deposit date: | 2023-04-13 | | Release date: | 2023-06-21 | | Last modified: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-Guided Development of Bivalent Aptamers Blocking SARS-CoV-2 Infection.
Molecules, 28, 2023
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5Y8B
 | | Periplasmic heme-binding protein RhuT from Roseiflexus sp. RS-1 in apo form | | Descriptor: | MAGNESIUM ION, Periplasmic binding protein | | Authors: | Rahman, M.M, Naoe, Y, Nakamura, N, Doi, A, Shiro, Y, Sugimoto, H. | | Deposit date: | 2017-08-20 | | Release date: | 2017-10-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for binding and transfer of heme in bacterial heme-acquisition systems
Proteins, 85, 2017
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7W7C
 | | Heme exporter in the unliganded form | | Descriptor: | Putative ABC transport system integral membrane protein, Putative ABC transport system, ATP-binding protein, ... | | Authors: | Rahman, M.M, Hisano, T, Nakamura, H, Tosha, T, Shirouzu, M, Shiro, Y. | | Deposit date: | 2021-12-04 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7SMM
 | | Cryo-EM structure of Torpedo acetylcholine receptor in apo form | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-09 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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7SMR
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with carbachol, desensitized state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-09 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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7SMQ
 | | Cryo-EM structure of Torpedo acetylcholine receptor in apo form with added cholesterol | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-09 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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7SMS
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with d-tubocurarine | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine receptor subunit alpha, ... | | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-09 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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7SMT
 | | Cryo-EM structure of Torpedo acetylcholine receptor in complex with d-tubocurarine and carbachol | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rahman, M.M, Basta, T, Teng, J, Lee, M, Worrell, B.T, Stowell, M.H.B, Hibbs, R.E. | | Deposit date: | 2021-10-26 | | Release date: | 2022-03-09 | | Last modified: | 2022-04-27 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Structural mechanism of muscle nicotinic receptor desensitization and block by curare.
Nat.Struct.Mol.Biol., 29, 2022
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6W3P
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with beta-methylnorleucine | | Descriptor: | CHLORIDE ION, GLYCEROL, Methyl-accepting chemotaxis protein, ... | | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.383 Å) | | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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6QGV
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167) | | Descriptor: | 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ... | | Authors: | Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J. | | Deposit date: | 2019-01-13 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
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6W3O
 | | Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine | | Descriptor: | 4-methylisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ... | | Authors: | Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A. | | Deposit date: | 2020-03-09 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
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