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2QPU
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BU of 2qpu by Molmil
Sugar tongs mutant S378P in complex with acarbose
Descriptor: 1,2-ETHANEDIOL, 1,5-anhydro-4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methylcyclohexyl]amino}-alpha-D-glucopyranosyl)-D-glucitol, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Aghajari, N, Jensen, M.H, Tranier, S, Haser, R.
Deposit date:2007-07-25
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 'pair of sugar tongs' site on the non-catalytic domain C of barley alpha-amylase participates in substrate binding and activity
Febs J., 274, 2007
2QV6
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BU of 2qv6 by Molmil
GTP cyclohydrolase III from M. jannaschii (MJ0145) complexed with GTP and metal ions
Descriptor: CALCIUM ION, GTP cyclohydrolase III, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Roberts, S.A, Bandarian, V.
Deposit date:2007-08-07
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:A New Use for a Familiar Fold: The X-ray Crystal Structure of GTP-Bound GTP Cyclohydrolase III from Methanocaldococcus jannaschii Reveals a Two Metal Ion Catalytic Mechanism
Biochemistry, 47, 2008
2QQV
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BU of 2qqv by Molmil
Crystal structure of a cell-wall invertase (E203A) from Arabidopsis thaliana in complex with sucrose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-fructofuranosidase, ...
Authors:Lammens, W, Le Roy, K, Van Laere, A, Rabijns, A, Van den Ende, W.
Deposit date:2007-07-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structures of Arabidopsis thaliana cell-wall invertase mutants in complex with sucrose.
J.Mol.Biol., 377, 2008
3GUI
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BU of 3gui by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Apo structure
Descriptor: BETA-MERCAPTOETHANOL, CARBONATE ION, Lysozyme, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2009-03-30
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
6I9Y
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BU of 6i9y by Molmil
The 2.14 A X-ray crystal structure of Sporosarcina pasteurii urease in complex with Au(I) ions
Descriptor: 1,2-ETHANEDIOL, GOLD ION, HYDROXIDE ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2018-11-26
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Inhibition Mechanism of Urease by Au(III) Compounds Unveiled by X-ray Diffraction Analysis.
Acs Med.Chem.Lett., 10, 2019
3GUL
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BU of 3gul by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--ethylbenzene binding
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2009-03-30
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
5ZQZ
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BU of 5zqz by Molmil
Structure of human mitochondrial trifunctional protein, tetramer
Descriptor: Trifunctional enzyme subunit alpha, mitochondrial, Trifunctional enzyme subunit beta
Authors:Liang, K, Li, N, Dai, J, Wang, X, Liu, P, Chen, X, Wang, C, Gao, N, Xiao, J.
Deposit date:2018-04-20
Release date:2018-06-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of human mitochondrial trifunctional protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3DGI
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BU of 3dgi by Molmil
Crystal structure of F87A/T268A mutant of CYP BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Le Trong, I, Katayama, J.H, Totah, R.A, Stenkamp, R.E, Fox, E.P.
Deposit date:2008-06-13
Release date:2009-06-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Homolytic versus heterolytic dioxygen bond cleavage in cytochrome P450 BM3.
To be Published
3DEQ
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BU of 3deq by Molmil
Crystal structure of dipeptide epimerase from Thermotoga maritima complexed with L-Ala-L-Leu dipeptide
Descriptor: ALANINE, LEUCINE, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
Deposit date:2008-06-10
Release date:2008-11-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a dipeptide epimerase enzymatic function guided by homology modeling and virtual screening.
Structure, 16, 2008
3GVX
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BU of 3gvx by Molmil
Crystal structure of Glycerate dehydrogenase related protein from Thermoplasma acidophilum
Descriptor: Glycerate dehydrogenase related protein, POTASSIUM ION
Authors:Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Glycerate dehydrogenase related protein from Thermoplasma acidophilum
To be Published
6IBR
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BU of 6ibr by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol epoxide LWA481
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Wu, L, Davies, G.J.
Deposit date:2018-11-30
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
3DHI
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BU of 3dhi by Molmil
Crystal Structure of Reduced Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, FE (III) ION, ...
Authors:Bailey, L.J, Mccoy, J.G, Phillips Jr, G.N, Fox, B.G.
Deposit date:2008-06-17
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural consequences of effector protein complex formation in a diiron hydroxylase.
Proc.Natl.Acad.Sci.USA, 105, 2008
2I6Z
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BU of 2i6z by Molmil
X-ray diffraction studies of adducts between anticancer platinum drugs and hen egg white lysozyme
Descriptor: CHLORIDE ION, Cisplatin, DIMETHYL SULFOXIDE, ...
Authors:Temperini, C, Casini, A, Messori, L.
Deposit date:2006-08-30
Release date:2007-01-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:ESI mass spectrometry and X-ray diffraction studies of adducts between anticancer platinum drugs and hen egg white lysozyme.
Chem.Commun.(Camb.), 2007
5X33
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BU of 5x33 by Molmil
Leukotriene B4 receptor BLT1 in complex with BIIL260
Descriptor: 4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide, LTB4 receptor,Lysozyme,LTB4 receptor
Authors:Hori, T, Hirata, K, Yamashita, K, Kawano, Y, Yamamoto, M, Yokoyama, S.
Deposit date:2017-02-03
Release date:2018-01-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Na+-mimicking ligands stabilize the inactive state of leukotriene B4receptor BLT1.
Nat. Chem. Biol., 14, 2018
3DHH
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BU of 3dhh by Molmil
Crystal Structure of Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-BROMOPHENOL, CHLORIDE ION, ...
Authors:Bailey, L.J, Mccoy, J.G, Phillips Jr, G.N, Fox, B.G.
Deposit date:2008-06-17
Release date:2008-12-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural consequences of effector protein complex formation in a diiron hydroxylase.
Proc.Natl.Acad.Sci.USA, 105, 2008
2R0P
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BU of 2r0p by Molmil
K252c-soaked RebC
Descriptor: 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ryan, K.S, Drennan, C.L.
Deposit date:2007-08-20
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic trapping in the rebeccamycin biosynthetic enzyme RebC
Proc.Natl.Acad.Sci.Usa, 104, 2007
3GYI
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BU of 3gyi by Molmil
Cholesterol oxidase from Streptomyces sp. N485D mutant (1.0A)
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Lyubimov, A.Y, Vrielink, A.
Deposit date:2009-04-03
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1 Å)
Cite:A hydrogen-bonding network is important for oxidation and isomerization in the reaction catalyzed by cholesterol oxidase.
Acta Crystallogr.,Sect.D, 65, 2009
7OVV
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BU of 7ovv by Molmil
Crystal structure of the Arabidopsis thaliana thialysine acetyltransferase AtNATA2
Descriptor: Probable acetyltransferase NATA1-like, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Layer, D, Kopp, J, Sinning, I.
Deposit date:2021-06-15
Release date:2022-12-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into the Arabidopsis thaliana thialysine acetyltransferase AtNATA2
To Be Published
4OZ9
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BU of 4oz9 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa complexed with isoleucine
Descriptor: ISOLEUCINE, Membrane-bound lytic murein transglycosylase F
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2014-02-14
Release date:2015-03-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure of MltF from Pseudomonas aeruginosa complexed with isoleucine
To Be Published
3H09
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BU of 3h09 by Molmil
The structure of Haemophilus influenzae IgA1 protease
Descriptor: ACETATE ION, Immunoglobulin A1 protease, MALONIC ACID, ...
Authors:Johnson, T.A, Qiu, J, Plaut, A.G, Holyoak, T.
Deposit date:2009-04-08
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Gating Regulates Substrate Selectivity in a Chymotrypsin-Like Serine Protease The Structure of Haemophilus influenzae Immunoglobulin A1 Protease.
J.Mol.Biol., 389, 2009
7P4O
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BU of 7p4o by Molmil
Crystal structure of Autotaxin and 9(R)-delta6a,10a-THC
Descriptor: (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A, Hausmann, J.
Deposit date:2021-07-12
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
2QZ2
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BU of 2qz2 by Molmil
Crystal structure of a glycoside hydrolase family 11 xylanase from Aspergillus niger in complex with xylopentaose
Descriptor: Endo-1,4-beta-xylanase I, SODIUM ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ...
Authors:Vandermarliere, E, Rombouts, S, Strelkov, S.V, Delcour, J.A, Courtin, C.M, Rabijns, A.
Deposit date:2007-08-16
Release date:2007-12-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystallographic analysis shows substrate binding at the -3 to +1 active-site subsites and at the surface of glycoside hydrolase family 11 endo-1,4-beta-xylanases.
Biochem.J., 410, 2008
6DU7
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BU of 6du7 by Molmil
Glutathione reductase from Streptococcus pneumoniae
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Glutathione reductase, THIOCYANATE ION
Authors:Maher, M.J, Sikanyika, M.
Deposit date:2018-06-19
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:The structure and activity of the glutathione reductase from Streptococcus pneumoniae.
Acta Crystallogr F Struct Biol Commun, 75, 2019
2I7G
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BU of 2i7g by Molmil
Crystal Structure of Monooxygenase from Agrobacterium tumefaciens
Descriptor: DI(HYDROXYETHYL)ETHER, Monooxygenase, SULFATE ION
Authors:Kim, Y, Xu, X, Zheng, H, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2006-08-30
Release date:2006-10-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The Crystal Structure of Monooxygenase from Agrobacterium tumefaciens
To be Published, 2006
4OX9
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BU of 4ox9 by Molmil
Crystal structure of the aminoglycoside resistance methyltransferase NpmA bound to the 30S ribosomal subunit
Descriptor: 16S rRNA, 16S rRNA (adenine(1408)-N(1))-methyltransferase, 30S ribosomal protein S10, ...
Authors:Dunkle, J.A, Conn, G.L, Dunham, C.M.
Deposit date:2014-02-04
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.8035 Å)
Cite:Molecular recognition and modification of the 30S ribosome by the aminoglycoside-resistance methyltransferase NpmA.
Proc.Natl.Acad.Sci.USA, 111, 2014

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