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5GL7
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BU of 5gl7 by Molmil
Crystal structure of a truncated human cytosolic methionyl-tRNA synthetase
Descriptor: GLYCEROL, Methionine--tRNA ligase, cytoplasmic, ...
Authors:Cho, H.Y, Lee, H.J, Kang, B.S.
Deposit date:2016-07-08
Release date:2017-07-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.013 Å)
Cite:Crystal structure of a truncated human cytosolic methionyl-tRNA synthetase
To Be Published
2QFQ
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BU of 2qfq by Molmil
E. coli EPSP synthase Pro101Leu liganded with S3P
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, SHIKIMATE-3-PHOSPHATE
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-27
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
3LGU
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BU of 3lgu by Molmil
Y162A mutant of the DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
7TND
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BU of 7tnd by Molmil
The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid
Descriptor: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-20
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
1AXG
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BU of 1axg by Molmil
CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ...
Authors:Colby, T.D, Chin, J.K, Bahnson, B.J, Goldstein, B.M, Klinman, J.P.
Deposit date:1997-10-15
Release date:1998-04-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A link between protein structure and enzyme catalyzed hydrogen tunneling.
Proc.Natl.Acad.Sci.USA, 94, 1997
7TNF
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BU of 7tnf by Molmil
The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid
Descriptor: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-21
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TNU
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BU of 7tnu by Molmil
The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid
Descriptor: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-21
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
5GTD
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BU of 5gtd by Molmil
o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis in Complex with the Acyl-adenylate Intermediate OSB-AMP
Descriptor: 2-SUCCINYLBENZOATE, 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2016-08-20
Release date:2017-01-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Mechanistic Insights from the Crystal Structure of Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase Complexed with the Adenylate Intermediate
Biochemistry, 55, 2016
4OGW
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BU of 4ogw by Molmil
Structure of a human CD38 mutant complexed with NMN
Descriptor: ADP-ribosyl cyclase 1, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
Authors:Shewchuk, L.M, Preugschat, F, Carter, L.H, Boros, E.E, Moyer, M.B, Stewart, E.L, Porter, D.J.T.
Deposit date:2014-01-16
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A pre-steady state and steady state kinetic analysis of the N-ribosyl hydrolase activity of hCD157.
Arch.Biochem.Biophys., 564C, 2014
2QCB
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BU of 2qcb by Molmil
T7-tagged full-length streptavidin complexed with ruthenium ligand
Descriptor: N-(4-{[(2-AMINOETHYL)AMINO]SULFONYL}PHENYL)-5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANAMIDE-(1,2,3,4,5,6-ETA)-BENZENE-CHLORO-RUTHENIUM(III), Streptavidin
Authors:Le Trong, I, Creus, M, Pordea, A, Ward, T.R, Stenkamp, R.E.
Deposit date:2007-06-19
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray structure and designed evolution of an artificial transfer hydrogenase
Angew.Chem.Int.Ed.Engl., 47, 2008
2QFT
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BU of 2qft by Molmil
E.coli EPSP synthase Pro101Ser liganded with S3P and glyphosate
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, GLYPHOSATE, ...
Authors:Schonbrunn, E, Healy-Fried, M.L.
Deposit date:2007-06-28
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis of glyphosate tolerance resulting from mutations of Pro101 in Escherichia coli 5-enolpyruvylshikimate-3-phosphate synthase.
J.Biol.Chem., 282, 2007
4OZ3
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BU of 4oz3 by Molmil
Human solAC Complexed with 4-phenyl-3-(trifluoromethyl)-1H-pyrazole
Descriptor: 4-phenyl-3-(trifluoromethyl)-1H-pyrazole, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-13
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
3LGY
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BU of 3lgy by Molmil
R178A mutant of the DegS-deltaPDZ protease
Descriptor: CHLORIDE ION, MAGNESIUM ION, Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
7M3Z
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BU of 7m3z by Molmil
Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35)
Descriptor: CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide
Authors:Rietz, T.A.
Deposit date:2021-03-19
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3).
J.Med.Chem., 64, 2021
7UXT
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BU of 7uxt by Molmil
Crystal structure of ligand-free SeThsA
Descriptor: GLYCEROL, TRIETHYLENE GLYCOL, USG protein
Authors:Shi, Y, Masic, V, Mosaiab, T, Nanson, J.D, Kobe, B, Ve, T.
Deposit date:2022-05-06
Release date:2022-09-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling.
Science, 377, 2022
4FSE
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BU of 4fse by Molmil
crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with N-(N-(4-amino-3,5- dichlorobenzyl)carbamimidoyl)-3-(4-methoxyphenyl)-5- methyl-4-isothiazolecarboxamide
Descriptor: Beta-secretase 1, IODIDE ION, N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
Authors:Muckelbauer, J.K.
Deposit date:2012-06-27
Release date:2012-10-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Acyl guanidine inhibitors of beta-secretase (BACE-1): optimization of a micromolar hit to a nanomolar lead via iterative solid- and solution-phase library synthesis
J.Med.Chem., 55, 2012
3LGV
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BU of 3lgv by Molmil
H198P mutant of the DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.734 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
3FSU
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BU of 3fsu by Molmil
Crystal Structure of Escherichia coli Methylenetetrahydrofolate Reductase Double Mutant Phe223LeuGlu28Gln complexed with methyltetrahydrofolate
Descriptor: 5,10-methylenetetrahydrofolate reductase, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2009-01-12
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Functional role for the conformationally mobile phenylalanine 223 in the reaction of methylenetetrahydrofolate reductase from Escherichia coli.
Biochemistry, 48, 2009
3LGW
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BU of 3lgw by Molmil
H198P/T167V double mutant of DegS-deltaPDZ protease
Descriptor: Protease degS
Authors:Sohn, J, Grant, R.A, Sauer, R.T.
Deposit date:2010-01-21
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution.
J.Biol.Chem., 285, 2010
8U57
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BU of 8u57 by Molmil
PPARg LBD in complex with perfluorooctanoic acid (PFOA)
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peroxisome proliferator-activated receptor gamma, pentadecafluorooctanoic acid
Authors:Pederick, J.L, Frkic, R.L, McDougal, D.P, Bruning, J.B.
Deposit date:2023-09-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural basis for the activation of peroxisome proliferator-activated receptor gamma (PPAR gamma ) by perfluorooctanoic acid (PFOA).
Chemosphere, 354, 2024
1DP6
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BU of 1dp6 by Molmil
OXYGEN-BINDING COMPLEX OF FIXL HEME DOMAIN
Descriptor: FIXL PROTEIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gong, W, Hao, B, Chan, M.K.
Deposit date:1999-12-23
Release date:2000-12-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New mechanistic insights from structural studies of the oxygen-sensing domain of Bradyrhizobium japonicum FixL.
Biochemistry, 39, 2000
5O87
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BU of 5o87 by Molmil
Crystal structure of wild type Aplysia californica AChBP in complex with nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P.
Deposit date:2017-06-12
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
5GOY
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BU of 5goy by Molmil
The crystal structure of human cytosolic methionyl-tRNA synthetase in complex with methionine
Descriptor: METHIONINE, Methionine--tRNA ligase, cytoplasmic, ...
Authors:Lee, H.J, Cho, H.Y, Kang, B.S.
Deposit date:2016-07-30
Release date:2017-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:The crystal structure of human cytosolic methionyl-tRNA synthetase in complex with methionine
To be published
4RDX
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BU of 4rdx by Molmil
Structure of histidinyl-tRNA synthetase in complex with tRNA(His)
Descriptor: ADENOSINE MONOPHOSPHATE, HISTIDINE, Histidine--tRNA ligase, ...
Authors:Xie, W, Tian, Q, Wang, C.
Deposit date:2014-09-20
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for recognition of G-1-containing tRNA by histidyl-tRNA synthetase
Nucleic Acids Res., 43, 2015
8GUJ
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BU of 8guj by Molmil
Bre1-nucleosome complex (Model II)
Descriptor: DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ...
Authors:Onishi, S, Sato, K, Hamada, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T.
Deposit date:2022-09-12
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024

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