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4G31
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BU of 4g31 by Molmil
Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
分子名称: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
2HOS
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BU of 2hos by Molmil
Phage-Selected Homeodomain Bound to Unmodified DNA
分子名称: 3-METHYL-1,3-OXAZOLIDIN-2-ONE, 5'-D(*AP*TP*CP*CP*GP*GP*GP*GP*AP*TP*TP*AP*CP*AP*TP*GP*GP*CP*AP*AP*A)-3', 5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*CP*CP*CP*CP*GP*GP*A)-3', ...
著者Shokat, K.M, Feldman, M.E, Simon, M.D.
登録日2006-07-16
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and properties of a re-engineered homeodomain protein-DNA interface.
Acs Chem.Biol., 1, 2006
4GFS
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BU of 4gfs by Molmil
1.8 Angstrom Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 with Nickel Bound at Active Site
分子名称: 3-dehydroquinate dehydratase, NICKEL (II) ION, SUCCINIC ACID
著者Light, S.H, Minasov, G, Krishna, S.N, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-03
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 Angstrom Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 with Nickel Bound at Active Site
TO BE PUBLISHED
3UUW
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BU of 3uuw by Molmil
1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile.
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Minasov, G, Wawrzak, Z, Kudritska, M, Grimshaw, S, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-28
公開日2011-12-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (MviM) from Clostridium difficile.
TO BE PUBLISHED
4KRZ
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BU of 4krz by Molmil
Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi
分子名称: GLYCEROL, POTASSIUM ION, Pyruvate kinase
著者Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2013-05-17
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
1EMD
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BU of 1emd by Molmil
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF ESCHERICHIA COLI MALATE DEHYDROGENASE, CITRATE AND NAD AT 1.9 ANGSTROMS RESOLUTION
分子名称: CITRIC ACID, MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hall, M.D, Banaszak, L.J.
登録日1993-03-25
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a ternary complex of Escherichia coli malate dehydrogenase citrate and NAD at 1.9 A resolution.
J.Mol.Biol., 232, 1993
2GF3
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BU of 2gf3 by Molmil
Structure of the complex of monomeric sarcosine with its substrate analogue inhibitor 2-furoic acid at 1.3 A resolution.
分子名称: 2-FUROIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chen, Z, Trickey, P, Jorns, M.S, Mathews, F.S.
登録日2006-03-21
公開日2007-02-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the complex of monomeric sarcosine with its substrate analogue inhibitor 2-furoic acid at 1.3 A resolution.
TO BE PUBLISHED
4ESK
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BU of 4esk by Molmil
Crystal structure of a strand-swapped dimer of Mouse Leukocyte-associated immunoglobulin-like receptor 1 (NYSGRC-006047)IG-like domain
分子名称: GLYCEROL, Leukocyte-associated immunoglobulin-like receptor 1, POTASSIUM ION, ...
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2012-04-23
公開日2012-05-02
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Crystal structure of a strand-swapped dimer of Mouse Leukocyte-associated immunoglobulin-like receptor 1 IG-like domain
to be published
4E4V
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BU of 4e4v by Molmil
The crystal structure of the dimeric human importin alpha 1 at 2.5 angstrom resolution.
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Importin subunit alpha-2
著者Hang, P.C, Miknis, Z.M, Franke, W.A, Umland, T.C, Schultz, L.W.
登録日2012-03-13
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5283 Å)
主引用文献The crystal structure of the dimeric human importin alpha 1 at 2.5 angstrom resolution.
To be Published
7DBN
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BU of 7dbn by Molmil
HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/M184V/F160M:DNA:dCTP ternary complex
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ...
著者Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K.
登録日2020-10-21
公開日2021-08-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Biochemical and Structural Properties of Entecavir-Resistant Hepatitis B Virus Polymerase with L180M/M204V Mutations.
J.Virol., 95, 2021
1WNB
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BU of 1wnb by Molmil
Escherichia coli YdcW gene product is a medium-chain aldehyde dehydrogenase (complexed with nadh and betaine aldehyde)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, BETAINE ALDEHYDE, Putative betaine aldehyde dehydrogenase
著者Gruez, A, Roig-Zamboni, V, Tegoni, M, Cambillau, C.
登録日2004-07-29
公開日2004-10-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure and Kinetics Identify Escherichia coli YdcW Gene Product as a Medium-chain Aldehyde Dehydrogenase
J.Mol.Biol., 343, 2004
5DYW
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BU of 5dyw by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Coquelle, N, Brus, B, Colletier, J.P.
登録日2015-09-25
公開日2017-01-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
4DDM
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BU of 4ddm by Molmil
Pantothenate synthetase in complex with 2,1,3-benzothiadiazole-5-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 2,1,3-benzothiadiazole-5-carboxylic acid, ETHANOL, ...
著者Silvestre, H.L.
登録日2012-01-18
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Proc.Natl.Acad.Sci.USA, 110, 2013
1X0V
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BU of 1x0v by Molmil
Crystal Structure of Homo Sapien Glycerol-3-Phosphate Dehydrogenase 1
分子名称: Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, SULFATE ION
著者Rao, Z, Ou, X.
登録日2005-03-30
公開日2006-04-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
1BXS
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BU of 1bxs by Molmil
SHEEP LIVER CLASS 1 ALDEHYDE DEHYDROGENASE WITH NAD BOUND
分子名称: ALDEHYDE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Moore, S.A, Baker, H.M, Blythe, T.J, Kitson, K.E, Kitson, T.M, Baker, E.N.
登録日1998-10-08
公開日1999-04-27
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Sheep liver cytosolic aldehyde dehydrogenase: the structure reveals the basis for the retinal specificity of class 1 aldehyde dehydrogenases.
Structure, 6, 1998
1GOF
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BU of 1gof by Molmil
NOVEL THIOETHER BOND REVEALED BY A 1.7 ANGSTROMS CRYSTAL STRUCTURE OF GALACTOSE OXIDASE
分子名称: ACETIC ACID, COPPER (II) ION, GALACTOSE OXIDASE, ...
著者Ito, N, Phillips, S.E.V, Knowles, P.F.
登録日1993-09-30
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel thioether bond revealed by a 1.7 A crystal structure of galactose oxidase.
Nature, 350, 1991
1BMD
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BU of 1bmd by Molmil
DETERMINANTS OF PROTEIN THERMOSTABILITY OBSERVED IN THE 1.9 ANGSTROMS CRYSTAL STRUCTURE OF MALATE DEHYDROGENASE FROM THE THERMOPHILIC BACTERIUM THERMUS FLAVUS
分子名称: MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kelly, C.A, Birktoft, J.J.
登録日1992-11-10
公開日1994-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determinants of protein thermostability observed in the 1.9-A crystal structure of malate dehydrogenase from the thermophilic bacterium Thermus flavus.
Biochemistry, 32, 1993
3P4T
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BU of 3p4t by Molmil
Crystal structure of a putative acyl-CoA dehydrogenase from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, Putative acyl-CoA dehydrogenase, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-10-07
公開日2010-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
1GOG
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BU of 1gog by Molmil
NOVEL THIOETHER BOND REVEALED BY A 1.7 ANGSTROMS CRYSTAL STRUCTURE OF GALACTOSE OXIDASE
分子名称: COPPER (II) ION, GALACTOSE OXIDASE, SODIUM ION
著者Ito, N, Phillips, S.E.V, Knowles, P.F.
登録日1993-09-30
公開日1994-01-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel thioether bond revealed by a 1.7 A crystal structure of galactose oxidase.
Nature, 350, 1991
3RU6
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BU of 3ru6 by Molmil
1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168
分子名称: CHLORIDE ION, IODIDE ION, Orotidine 5'-phosphate decarboxylase
著者Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-05-04
公開日2011-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
1X0X
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BU of 1x0x by Molmil
Co-Structure of Homo Sapiens Glycerol-3-Phosphate Dehydrogenase 1 complex with NAD
分子名称: Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Rao, Z, Ou, X.
登録日2005-03-31
公開日2006-04-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
3OZ2
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BU of 3oz2 by Molmil
Crystal structure of a geranylgeranyl bacteriochlorophyll reductase-like (Ta0516) from Thermoplasma acidophilum at 1.60 A resolution
分子名称: (2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, Digeranylgeranylglycerophospholipid reductase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-09-24
公開日2010-10-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into substrate specificity of geranylgeranyl reductases revealed by the structure of digeranylgeranylglycerophospholipid reductase, an essential enzyme in the biosynthesis of archaeal membrane lipids.
J.Mol.Biol., 404, 2010
5FEC
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BU of 5fec by Molmil
Crystal structure of 3BNC60 Fab germline precursor in complex with 426c.TM4deltaV1-3 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c.TM4deltaV1-3 gp120, ...
著者Scharf, L, Bjorkman, P.J.
登録日2015-12-16
公開日2016-05-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
3RMI
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BU of 3rmi by Molmil
Crystal structure of Chorismate mutase from Bartonella henselae str. Houston-1 in complex with malate
分子名称: 1,2-ETHANEDIOL, Chorismate mutase protein, D-MALATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-04-20
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Chorismate mutase from Bartonella henselae str. Houston-1 in complex with malate
To be Published
5UC6
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BU of 5uc6 by Molmil
Structural insights into IL-1 alpha recognition by a naphthyl-modified aptamer that mimics IL-1RI Domain III
分子名称: DNA (5'-D(*CP*G)-R(P*(85Y))-D(P*GP*AP*G)-R(P*(85Y)P*(85Y))-D(P*A)-R(P*(85Y))-D(P*GP*GP*G)-R(P*(85Y)P*(85Y))-D(P*AP*GP*AP*G)-R(P*(85Y))-D(P*CP*GP*(ATD))-3'), Interleukin-1 alpha, MAGNESIUM ION, ...
著者Ren, X, Pyle, A.
登録日2016-12-21
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for IL-1 alpha recognition by a modified DNA aptamer that specifically inhibits IL-1 alpha signaling.
Nat Commun, 8, 2017

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