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4CTM
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BU of 4ctm by Molmil
Glucopyranosylidene-spiro-iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetic and Crystallographic Methods
分子名称: (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ...
著者Alexacou, K.M, Papakonstantinou, M, Leonidas, D.D, Zographos, S.E, Chrysina, E.D.
登録日2014-03-15
公開日2014-08-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Glucopyranosylidene-Spiro-Iminothiazolidinone, a New Bicyclic Ring System: Synthesis, Derivatization, and Evaluation for Inhibition of Glycogen Phosphorylase by Enzyme Kinetic and Crystallographic Methods.
Bioorg.Med.Chem., 22, 2014
3EIY
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BU of 3eiy by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound pyrophosphate
分子名称: DI(HYDROXYETHYL)ETHER, Inorganic pyrophosphatase, POTASSIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-17
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009
3ERX
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BU of 3erx by Molmil
High-resolution structure of Paracoccus pantotrophus pseudoazurin
分子名称: COPPER (II) ION, Pseudoazurin, SULFATE ION
著者Najmudin, S, Pauleta, S.R, Moura, I, Romao, M.J.
登録日2008-10-03
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The 1.4 A resolution structure of Paracoccus pantotrophus pseudoazurin.
Acta Crystallogr.,Sect.F, 66, 2010
3F0D
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BU of 3f0d by Molmil
High resolution crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphatase synthase from Burkholderia pseudomallei
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-10-24
公開日2008-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 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
3F0G
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BU of 3f0g by Molmil
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase with CMP
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-10-24
公開日2008-11-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.08 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
3F0E
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BU of 3f0e by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, MAGNESIUM ION, ZINC ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-10-24
公開日2008-11-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 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
3G2N
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BU of 3g2n by Molmil
Crystal structure of N-acylglucosylamine with glycogen phosphorylase
分子名称: Glycogen phosphorylase, muscle form, N-(phenylcarbonyl)-beta-D-glucopyranosylamine
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3G2L
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BU of 3g2l by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase
分子名称: 1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3DMS
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BU of 3dms by Molmil
1.65A crystal structure of isocitrate dehydrogenase from Burkholderia pseudomallei
分子名称: Isocitrate dehydrogenase [NADP]
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-07-01
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of the substrate specificity of bifunctional isocitrate dehydrogenase kinase/phosphatase.
Biochemistry, 50, 2011
3G2J
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BU of 3g2j by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase
分子名称: Glycogen phosphorylase, muscle form, N-(hydroxyacetyl)-beta-D-glucopyranosylamine
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3G2H
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BU of 3g2h by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazoles in complex with glycogen phosphorylase
分子名称: 1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3G2K
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BU of 3g2k by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole
分子名称: 1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
3G2I
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BU of 3g2i by Molmil
Crystal structure of 1-(beta-D-glucopyranosyl)-4-substituted-1,2,3-triazole
分子名称: 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole, Glycogen phosphorylase, muscle form
著者Chrysina, E.D, Bokor, E, Alexacou, K.-M, Charavgi, M.-D, Oikonomakos, G.N, Zographos, S.E, Leonidas, D.D, Oikonomakos, N.G, Somsak, L.
登録日2009-01-31
公開日2010-02-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Amide-1,2,3-triazole bioisosterism: the glycogen phosphorylase case
Tetrahedron: Asymmetry, 20, 2009
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
分子名称: Inorganic pyrophosphatase, N-(pyridin-3-ylmethyl)aniline
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-17
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009
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
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Ohren, J.F, Pavlovsky, A, Zhang, E.
登録日2008-09-30
公開日2008-11-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献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
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
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
3OEC
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BU of 3oec by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium thermoresistibile
分子名称: Carveol dehydrogenase (MythA.01326.c, A0R518 homolog), SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-08-12
公開日2010-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3OE9
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Crystal structure of the chemokine CXCR4 receptor in complex with a small molecule antagonist IT1t in P1 spacegroup
分子名称: (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera
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2021-10-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Science, 330, 2010
3PAT
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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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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

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