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2FLJ
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BU of 2flj by Molmil
Fatty acid binding protein from locust flight muscle in complex with oleate
Descriptor: Fatty acid-binding protein, OLEIC ACID
Authors:Luecke, C, Qiao, Y, van Moerkerk, H.T.B, Veerkamp, J.H, Hamilton, J.A.
Deposit date:2006-01-06
Release date:2006-05-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Fatty-acid-binding protein from the flight muscle of Locusta migratoria: evolutionary variations in fatty acid binding.
Biochemistry, 45, 2006
4GPR
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BU of 4gpr by Molmil
Crystal structure of EhUbc5, a ubiquitin conjugating enzyme from Entamoeba histolytica
Descriptor: COBALT (II) ION, Ubiquitin-conjugating enzyme family protein
Authors:Bosch, D.E, Siderovski, D.P.
Deposit date:2012-08-21
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Determinants of Ubiquitin Conjugation in Entamoeba histolytica.
J.Biol.Chem., 288, 2013
3SUX
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BU of 3sux by Molmil
Crystal structure of THF riboswitch, bound with THF
Descriptor: 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, Riboswitch, SODIUM ION
Authors:Huang, L, Serganov, A, Patel, D.J.
Deposit date:2011-07-11
Release date:2011-09-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Long-range pseudoknot interactions dictate the regulatory response in the tetrahydrofolate riboswitch.
Proc.Natl.Acad.Sci.USA, 108, 2011
8FA3
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BU of 8fa3 by Molmil
Structure of N-terminal of Schistosoma japonicum asparaginyl-tRNA synthetase
Descriptor: Asparagine--tRNA ligase
Authors:Peck, Y, Daly, N.L, Mobli, M.
Deposit date:2022-11-25
Release date:2023-09-06
Last modified:2024-09-25
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal extension domain of a Schistosoma japonicum asparaginyl-tRNA synthetase.
J.Biomol.Struct.Dyn., 42, 2024
3GKF
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BU of 3gkf by Molmil
Crystal Structure of E. coli LsrF
Descriptor: Aldolase lsrF
Authors:Miller, S.T, Diaz, Z.C.
Deposit date:2009-03-10
Release date:2009-09-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure of the Escherichia coli autoinducer-2 processing protein LsrF.
Plos One, 4, 2009
7RIO
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BU of 7rio by Molmil
human PXR LBD bound to GSK003
Descriptor: Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-[3-(2-tert-butyl-5-{2-[2-(methanesulfonyl)ethyl]pyrimidin-4-yl}-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzene-1-sulfonamide
Authors:Williams, S.P, Wisely, G.B, Ward, P.
Deposit date:2021-07-20
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
7RIU
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BU of 7riu by Molmil
human PXR LBD bound to GSK002
Descriptor: Isoform 1C of Nuclear receptor subfamily 1 group I member 2, N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}thiophene-3-sulfonamide
Authors:Williams, S.P, Wisely, G.B, Ward, P.
Deposit date:2021-07-20
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
7RIV
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BU of 7riv by Molmil
human PXR LBD bound to GSK001
Descriptor: Dabrafenib, Isoform 1C of Nuclear receptor subfamily 1 group I member 2
Authors:Williams, S.P, Wisely, G.B, Ward, P.
Deposit date:2021-07-20
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Overcoming the Pregnane X Receptor Liability: Rational Design to Eliminate PXR-Mediated CYP Induction.
Acs Med.Chem.Lett., 12, 2021
7S3S
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BU of 7s3s by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724813
Descriptor: 2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-09-08
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor.
Acs Pharmacol Transl Sci, 5, 2022
8ZNG
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BU of 8zng by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus in complex with NADPH and AKG in the steady stage of reaction
Descriptor: 2-OXOGLUTARIC ACID, Glutamate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Nakasako, M.
Deposit date:2024-05-26
Release date:2024-06-12
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:CryoEM and crystal structure analyses reveal the indirect role played by Trp89 in glutamate dehydrogenase enzymatic reactions.
Febs J., 292, 2025
8ZNE
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BU of 8zne by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus in complex with NADP and GLU in the steady stage of reaction
Descriptor: GLUTAMIC ACID, Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Nakasako, M.
Deposit date:2024-05-26
Release date:2024-06-26
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:CryoEM and crystal structure analyses reveal the indirect role played by Trp89 in glutamate dehydrogenase enzymatic reactions.
Febs J., 292, 2025
8ZNC
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BU of 8znc by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus incorporating NADPH, AKG in the steady stage of reaction
Descriptor: 2-OXOGLUTARIC ACID, AMMONIUM ION, Glutamate dehydrogenase, ...
Authors:Wakabayashi, T, Nakasako, M.
Deposit date:2024-05-26
Release date:2024-06-12
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:CryoEM and crystal structure analyses reveal the indirect role played by Trp89 in glutamate dehydrogenase enzymatic reactions.
Febs J., 292, 2025
8TFI
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BU of 8tfi by Molmil
tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii
Descriptor: CHLORIDE ION, Probable RNA 2'-phosphotransferase
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2023-07-11
Release date:2023-11-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
8TFZ
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BU of 8tfz by Molmil
tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with NAD
Descriptor: CHLORIDE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2023-07-12
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
6OG0
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BU of 6og0 by Molmil
Structure of Aedes aegypti OBP22
Descriptor: AAEL005772-PA, CADMIUM ION, CHLORIDE ION
Authors:Jones, D.N, Wang, J.
Deposit date:2019-04-01
Release date:2019-04-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
4XID
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BU of 4xid by Molmil
AntpHD with 15bp DNA duplex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
Authors:White, M.A, Zandarashvili, L, Iwahara, J.
Deposit date:2015-01-06
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.
Biophys.J., 109, 2015
8HMG
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BU of 8hmg by Molmil
The open state of RGLG2-VWA
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase RGLG2, MAGNESIUM ION, ...
Authors:Wang, Q.
Deposit date:2022-12-03
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Ca2+-based Allosteric Switches and Shape Shifting in RGLG1 VWA domain
To Be Published
5U2A
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BU of 5u2a by Molmil
Crystal structure of Brucella canis Acyl-CoA Synthetase
Descriptor: AMP-dependent synthetase and ligase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Abendroth, J.
Deposit date:2016-11-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Brucella canis Acyl-CoA Synthetase
To Be Published
1CCB
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BU of 1ccb by Molmil
THE ASP-HIS-FE TRIAD OF CYTOCHROME C PEROXIDASE CONTROLS THE REDUCTION POTENTIAL, ELECTRONIC STRUCTURE, AND COUPLING OF THE TRYPTOPHAN FREE-RADICAL TO THE HEME
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Goodin, D.B, Mcree, D.E.
Deposit date:1993-01-04
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Asp-His-Fe triad of cytochrome c peroxidase controls the reduction potential, electronic structure, and coupling of the tryptophan free radical to the heme.
Biochemistry, 32, 1993
1ISH
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BU of 1ish by Molmil
Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNADP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHENO-NADP, bone marrow stromal cell antigen 1
Authors:Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K.
Deposit date:2001-12-05
Release date:2002-03-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
1KVW
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BU of 1kvw by Molmil
CARBOXYLIC ESTER HYDROLASE, SINGLE MUTANT H48Q OF BOVINE PANCREATIC PLA2 ENZYME
Descriptor: CALCIUM ION, PHOSPHOLIPASE A2
Authors:Sundaralingam, M.
Deposit date:1998-04-24
Release date:1998-11-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the catalytic site mutants D99A and H48Q and the calcium-loop mutant D49E of phospholipase A2.
Acta Crystallogr.,Sect.D, 55, 1999
5NB5
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BU of 5nb5 by Molmil
Principles for computational design of antibodies
Descriptor: design of antibodies
Authors:Dym, O, Fleishman, S.J.
Deposit date:2017-03-01
Release date:2017-09-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Principles for computational design of binding antibodies.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4YW5
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BU of 4yw5 by Molmil
Crystal Structure of Streptococcus pneumoniae NanC, complex with oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L.
Deposit date:2015-03-20
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
4Y6G
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BU of 4y6g by Molmil
Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor in the alpha-site and beta-site.
Descriptor: 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, ...
Authors:Hilario, E, Caulkins, B.G, Young, R.P, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2015-02-13
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Visualizing the tunnel in tryptophan synthase with crystallography: Insights into a selective filter for accommodating indole and rejecting water.
Biochim.Biophys.Acta, 1864, 2016
2F8K
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BU of 2f8k by Molmil
Sequence specific recognition of RNA hairpins by the SAM domain of Vts1
Descriptor: 5'-R(*UP*AP*AP*UP*CP*UP*UP*UP*GP*AP*CP*AP*GP*AP*UP*U)-3', Protein VTS1
Authors:Aviv, T, Lin, Z, Ben-Ari, G, Smibert, C.A, Sicheri, F.
Deposit date:2005-12-02
Release date:2006-01-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sequence-specific recognition of RNA hairpins by the SAM domain of Vts1p.
Nat.Struct.Mol.Biol., 13, 2006

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