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3MD0
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BU of 3md0 by Molmil
Crystal structure of arginine/ornithine transport system ATPase from Mycobacterium tuberculosis bound to GDP (a RAS-like GTPase superfamily protein)
Descriptor: Arginine/ornithine transport system ATPase, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-29
Release date:2010-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.
J.Struct.Funct.Genom., 16, 2015
1FIE
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BU of 1fie by Molmil
RECOMBINANT HUMAN COAGULATION FACTOR XIII
Descriptor: COAGULATION FACTOR XIII
Authors:Yee, V.C, Teller, D.C.
Deposit date:1996-08-24
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural evidence that the activation peptide is not released upon thrombin cleavage of factor XIII.
Thromb.Res., 78, 1995
1EWS
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BU of 1ews by Molmil
THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE RABBIT KIDNEY DEFENSIN, RK-1
Descriptor: RK-1 DEFENSIN
Authors:McManus, A.M, Dawson, N.F, Wade, J.D, Craik, D.J.
Deposit date:2000-04-26
Release date:2001-05-02
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Three-dimensional structure of RK-1: a novel alpha-defensin peptide.
Biochemistry, 39, 2000
1F60
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BU of 1f60 by Molmil
CRYSTAL STRUCTURE OF THE YEAST ELONGATION FACTOR COMPLEX EEF1A:EEF1BA
Descriptor: ELONGATION FACTOR EEF1A, ELONGATION FACTOR EEF1BA
Authors:Andersen, G.R, Pedersen, L, Valente, L, Kinzy, T.G, Nyborg, J.
Deposit date:2000-06-19
Release date:2000-07-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural basis for nucleotide exchange and competition with tRNA in the yeast elongation factor complex eEF1A:eEF1Balpha.
Mol.Cell, 6, 2000
1GWX
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BU of 1gwx by Molmil
MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS
Descriptor: 2-(4-{3-[1-[2-(2-CHLORO-6-FLUORO-PHENYL)-ETHYL]-3-(2,3-DICHLORO-PHENYL)-UREIDO]-PROPYL}-PHENOXY)-2-METHYL-PROPIONIC ACID, PROTEIN (PPAR-DELTA)
Authors:Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V.
Deposit date:1999-03-17
Release date:2000-03-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
3TK1
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BU of 3tk1 by Molmil
Crystal structure of a MeaB and Rv1496 ortholog from Mycobacterium thermoresistible bound to GDP
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Membrane ATPase/protein kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-25
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.
J.Struct.Funct.Genom., 16, 2015
3TSC
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BU of 3tsc by Molmil
Crystal structure of short chain dehydrogenase MAP_2410 from Mycobacterium paratuberculosis bound to NAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative oxidoreductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-12
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3RZ0
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BU of 3rz0 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, N-butyl-4-sulfamoylbenzamide, ZINC ION
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3S55
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BU of 3s55 by Molmil
Crystal structure of a putative short-chain dehydrogenase/reductase from Mycobacterium abscessus bound to NAD
Descriptor: CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative short-chain dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-20
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3S76
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BU of 3s76 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1H-imidazole-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S73
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BU of 3s73 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-12-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S71
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BU of 3s71 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1-benzofuran-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3T7C
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BU of 3t7c by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to NAD
Descriptor: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-29
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3RYZ
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BU of 3ryz by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: Carbonic anhydrase 2, N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide, ZINC ION
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RZ7
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BU of 3rz7 by Molmil
Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase
Descriptor: 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-11
Release date:2011-08-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3S77
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BU of 3s77 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U0B
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BU of 3u0b by Molmil
Crystal structure of an oxidoreductase from Mycobacterium smegmatis
Descriptor: Oxidoreductase, short chain dehydrogenase/reductase family protein, SODIUM ION
Authors:Arakaki, T.L, Staker, B.L, Clifton, M.C, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-05
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and functional characterization of FabG4 from Mycolicibacterium smegmatis.
Acta Crystallogr.,Sect.F, 80, 2024
3SX2
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BU of 3sx2 by Molmil
Crystal structure of a putative 3-ketoacyl-(acyl-carrier-protein) reductase from Mycobacterium paratuberculosis in complex with NAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative 3-ketoacyl-(acyl-carrier-protein) reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-14
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3S74
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BU of 3s74 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: 1-benzothiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3S75
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BU of 3s75 by Molmil
The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase
Descriptor: Carbonic anhydrase 2, ZINC ION, furan-2-sulfonamide
Authors:Snyder, P.W, Heroux, A, Whitesides, G.W.
Deposit date:2011-05-26
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3EIY
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BU of 3eiy by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound pyrophosphate
Descriptor: DI(HYDROXYETHYL)ETHER, Inorganic pyrophosphatase, POTASSIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-17
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009
3DMS
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BU of 3dms by Molmil
1.65A crystal structure of isocitrate dehydrogenase from Burkholderia pseudomallei
Descriptor: Isocitrate dehydrogenase [NADP]
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-07-01
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of the substrate specificity of bifunctional isocitrate dehydrogenase kinase/phosphatase.
Biochemistry, 50, 2011
3EQB
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BU of 3eqb by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
Authors:Ohren, J.F, Pavlovsky, A, Zhang, E.
Deposit date:2008-09-30
Release date:2008-11-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008
3F0G
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BU of 3f0g by Molmil
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with CMP
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-24
Release date:2008-11-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3EJ0
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BU of 3ej0 by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound N-(pyridin-3-ylmethyl) aniline, H32 crystal form
Descriptor: Inorganic pyrophosphatase, N-(pyridin-3-ylmethyl)aniline
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-17
Release date:2008-09-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009

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