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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
分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Heroux, A, Whitesides, G.W.
登録日2011-05-26
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 1-benzofuran-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Snyder, P.W, Heroux, A, Whitesides, G.W.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative 3-ketoacyl-(acyl-carrier-protein) reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-07-14
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
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
分子名称: Carbonic anhydrase 2, ZINC ION, furan-2-sulfonamide
著者Snyder, P.W, Heroux, A, Whitesides, G.W.
登録日2011-05-26
公開日2011-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TSC
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BU of 3tsc by Molmil
Crystal structure of short chain dehydrogenase MAP_2410 from Mycobacterium paratuberculosis bound to NAD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative oxidoreductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-09-12
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
4E17
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BU of 4e17 by Molmil
Alpha-E-catenin is an autoinhibited molecule that co-activates vinculin
分子名称: Catenin alpha-1, Vinculin
著者Choi, H.-J, Pokutta, S, Cadwell, G.W, Bankston, L.A, Liddington, R.C, Weis, W.I.
登録日2012-03-05
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Conformational plasticity of alpha-catenin revealed by binding interactions with vinculin
To be Published
4E18
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BU of 4e18 by Molmil
Alpha-E-catenin is an autoinhibited molecule that co-activates vinculin
分子名称: Catenin alpha-1, Vinculin
著者Choi, H.-J, Pokutta, S, Cadwell, G.W, Bankston, L.A, Liddington, R.C, Weis, W.I.
登録日2012-03-05
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Conformational plasticity of alpha-catenin revealed by binding interactions with vinculin
To be Published
4E51
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BU of 4e51 by Molmil
Crystal structure of a histidyl-tRNA synthetase HisRS from Burkholderia thailandensis bound to histidine
分子名称: HISTIDINE, Histidine--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-03-13
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
Sci Rep, 7, 2017
4HWY
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BU of 4hwy by Molmil
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H.
登録日2012-11-09
公開日2012-12-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
3JVH
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BU of 3jvh by Molmil
Crystal structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 8395
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5-[(pyridin-3-ylmethyl)amino]-1H-pyrazole-4-carboxamide, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-16
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3MBM
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BU of 3mbm by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-b][1,3]thiazol-6-ylmethanol
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-03-25
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3K9W
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BU of 3k9w by Molmil
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei with hydrolyzed 3'-dephospho Coenzyme A
分子名称: 4'-diphospho pantetheine, ACETATE ION, ADENINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-16
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 67, 2011
3K14
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BU of 3k14 by Molmil
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-09-25
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
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)
分子名称: Arginine/ornithine transport system ATPase, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-03-29
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.
J.Struct.Funct.Genom., 16, 2015
3NFW
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BU of 3nfw by Molmil
Crystal structure of nitrilotriacetate monooxygenase component B (A0R521 homolog) from Mycobacterium thermoresistibile
分子名称: Flavin reductase-like, FMN-binding protein, GLYCEROL
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-06-10
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of nitrilotriacetate monooxygenase component B from Mycobacterium thermoresistibile.
Acta Crystallogr.,Sect.F, 67, 2011
3NJB
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BU of 3njb by Molmil
Crystal structure of enoyl-coa hydratase from Mycobacterium smegmatis, iodide soak
分子名称: Enoyl-CoA hydratase, IODIDE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-06-17
公開日2010-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.Struct.Funct.Genom., 12, 2011
3NXS
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BU of 3nxs by Molmil
Crystal structure of LAO/AO transport system from Mycobacterium smegmatis bound to GDP
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, LAO/AO transport system ATPase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-07-14
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of Mycobacterial MeaB and MMAA-like GTPases
J.Struct.Funct.Genom., 16, 2015
3P10
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BU of 3p10 by Molmil
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine and FOL694, 2-(thiophen-2-yl)phenyl methanol
分子名称: (2-thiophen-2-ylphenyl)methanol, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-29
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3OIB
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BU of 3oib by Molmil
Crystal structure of a putative ACYL-COA Dehydrogenase from mycobacterium smegmatis, Iodide soak
分子名称: 1,2-ETHANEDIOL, Acyl-CoA dehydrogenase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-18
公開日2010-09-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SAD phasing using iodide ions in a high-throughput structural genomics environment.
J Struct Funct Genomics, 12, 2011
3PAT
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BU of 3pat by Molmil
COMPARISON BETWEEN THE CRYSTAL AND THE SOLUTION STRUCTURES OF THE EF HAND PARVALBUMIN
分子名称: CALCIUM ION, PARVALBUMIN
著者Padilla, A, Cave, A, Parello, J, Etienne, G, Baldellon, C.
登録日1994-03-22
公開日1994-07-31
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Comparison between the Crystal and the Solution Structures of the EF Hand Parvalbumin
To be Published
3P0Z
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BU of 3p0z by Molmil
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine and FOL955, 4-(1H-imidazol)-1-yl)phenol
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-09-29
公開日2010-10-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3P96
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Crystal structure of Phosphoserine phosphatase SerB from Mycobacterium avium, native form
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-10-15
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献SAD phasing using iodide ions in a high-throughput structural genomics environment.
J.Struct.Funct.Genom., 12, 2011
3PR0
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BU of 3pr0 by Molmil
Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
分子名称: 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Mileni, M, Han, G.W, Boger, D.L, Stevens, R.C.
登録日2010-11-29
公開日2011-11-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase.
J.Am.Chem.Soc., 133, 2011
3PXU
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BU of 3pxu by Molmil
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei bound to dephospho-coenzyme A
分子名称: DEPHOSPHO COENZYME A, GLYCEROL, Phosphopantetheine adenylyltransferase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-12-10
公開日2010-12-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 67, 2011
3OE0
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BU of 3oe0 by Molmil
Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15
分子名称: C-X-C chemokine receptor type 4, Lysozyme Chimera, Polyphemusin analog, ...
著者Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR)
登録日2010-08-12
公開日2010-10-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010

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