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4RHU
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Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease
分子名称: Hypoxanthine-guanine phosphoribosyltransferase Hpt, MAGNESIUM ION, {[(2R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid), ...
著者Eng, W.S, Hockova, D, Spacek, P, West, N.P, Woods, K, Naesens, L.M.J, Keough, D.T, Guddat, L.W.
登録日2014-10-03
公開日2015-05-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.573 Å)
主引用文献First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity.
J.Med.Chem., 58, 2015
4RKF
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BU of 4rkf by Molmil
Drosophila melanogaster Rab3 bound to GMPPNP
分子名称: MAGNESIUM ION, PENTAETHYLENE GLYCOL, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Lardong, J.A, Driller, J.H, Depner, H, Weise, C, Petzoldt, A, Wahl, M.C, Sigrist, S.J, Loll, B.
登録日2014-10-13
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of Drosophila melanogaster Rab2 and Rab3 bound to GMPPNP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
1VDV
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BU of 1vdv by Molmil
Bovine Milk Xanthine Dehydrogenase Y-700 Bound Form
分子名称: 1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID, ACETIC ACID, CALCIUM ION, ...
著者Fukunari, A, Okamoto, K, Nishino, T, Eger, B.T, Pai, E.F, Kamezawa, M, Yamada, I, Kato, N.
登録日2004-03-25
公開日2004-12-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Y-700 [1-[3-Cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid]: a potent xanthine oxidoreductase inhibitor with hepatic excretion
J.Pharmacol.Exp.Ther., 311, 2004
4ROJ
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BU of 4roj by Molmil
Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
分子名称: Guanine nucleotide exchange factor VAV2, Thioredoxin-interacting protein, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-10-28
公開日2014-12-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the VAV2 SH2 domain in complex with TXNIP phosphorylated peptide
TO BE PUBLISHED
7JOQ
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BU of 7joq by Molmil
Structure of NV1 small terminase
分子名称: Small Terminase subunit
著者Cingolani, G, Lokareddy, R.
登録日2020-08-07
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Biophysical analysis of Pseudomonas-phage PaP3 small terminase suggests a mechanism for sequence-specific DNA-binding by lateral interdigitation.
Nucleic Acids Res., 48, 2020
7JL3
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BU of 7jl3 by Molmil
Cryo-EM structure of RIG-I:dsRNA filament in complex with RIPLET PrySpry domain (trimer)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Antiviral innate immune response receptor RIG-I, E3 ubiquitin-protein ligase RNF135, ...
著者Kato, K, Ahmad, S, Hur, S.
登録日2020-07-29
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
7JMD
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Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 1
分子名称: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein
著者Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L.
登録日2020-07-31
公開日2020-09-09
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
1VLW
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BU of 1vlw by Molmil
Crystal structure of 2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase (TM0066) from Thermotoga maritima at 2.30 A resolution
分子名称: 2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
著者Joint Center for Structural Genomics (JCSG)
登録日2004-08-18
公開日2004-08-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of 2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase (TM0066) from Thermotoga maritima at 2.30 A resolution
To be published
7JQ2
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BU of 7jq2 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
4RRY
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BU of 4rry by Molmil
Crystal Structure of Apo Murine H90W Cyclooxygenase-2
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, Prostaglandin G/H synthase 2, ...
著者Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J.
登録日2014-11-06
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.429 Å)
主引用文献Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2.
J.Biol.Chem., 290, 2015
1VWB
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BU of 1vwb by Molmil
STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 11.8
分子名称: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
著者Katz, B.A, Cass, R.T.
登録日1997-03-03
公開日1998-03-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1TJU
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BU of 1tju by Molmil
Crystal Structure of T161S Duck Delta 2 Crystallin Mutant
分子名称: Delta crystallin II
著者Sampaleanu, L.M, Codding, P.W, Lobsanov, Y.D, Tsai, M, Smith, G.D, Horvatin, C, Howell, P.L.
登録日2004-06-07
公開日2004-09-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis
Biochem.J., 384, 2004
1TKK
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BU of 1tkk by Molmil
The Structure of a Substrate-Liganded Complex of the L-Ala-D/L-Glu Epimerase from Bacillus subtilis
分子名称: ALANINE, GLUTAMIC ACID, MAGNESIUM ION, ...
著者Klenchin, V.A, Schmidt, D.M, Gerlt, J.A, Rayment, I.
登録日2004-06-08
公開日2004-08-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evolution of Enzymatic Activities in the Enolase Superfamily: Structure of a Substrate-Liganded Complex of the l-Ala-d/l-Glu Epimerase from Bacillus subtilis(,).
Biochemistry, 43, 2004
4RT1
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BU of 4rt1 by Molmil
Structure of the Alg44 PilZ domain (R95A mutant) from Pseudomonas aeruginosa PAO1 in complex with c-di-GMP
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Alginate biosynthesis protein Alg44, CHLORIDE ION, ...
著者Whitfield, G.B, Whitney, J.C.
登録日2014-11-12
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dimeric c-di-GMP Is Required for Post-translational Regulation of Alginate Production in Pseudomonas aeruginosa.
J.Biol.Chem., 290, 2015
1T5P
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BU of 1t5p by Molmil
Human Heme Oxygenase Oxidation of alpha- and gamma-meso-phenylhemes
分子名称: 12-PHENYLHEME, Heme oxygenase 1
著者Wang, J, Niemevz, F, Lad, L, Buldain, G, Poulos, T.L, Ortiz de Montellano, P.R.
登録日2004-05-05
公開日2004-08-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Human heme oxygenase oxidation of 5- and 15-phenylhemes.
J.Biol.Chem., 279, 2004
1T8P
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Crystal structure of Human erythrocyte 2,3-bisphosphoglycerate mutase
分子名称: Bisphosphoglycerate mutase
著者Wang, Y, Wei, Z, Bian, Q, Cheng, Z, Wan, M, Liu, L, Gong, W.
登録日2004-05-13
公開日2004-08-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human bisphosphoglycerate mutase
J.Biol.Chem., 279, 2004
4RWL
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BU of 4rwl by Molmil
Crystal structure of FGFR1 (C488A, C584C) in complex with 6-(7-((1-aminocyclopropyl) methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide (E3810)
分子名称: 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION
著者Sohl, C.D, Anderson, K.S.
登録日2014-12-04
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.193 Å)
主引用文献Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
4RYD
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BU of 4ryd by Molmil
X-ray structure of human furin in complex with the competitive inhibitor para-guanidinomethyl-Phac-R-Tle-R-Amba
分子名称: CALCIUM ION, FORMIC ACID, Furin, ...
著者Dahms, S.O, Than, M.E.
登録日2014-12-15
公開日2015-05-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Novel Furin Inhibitors with Potent Anti-infectious Activity.
Chemmedchem, 10, 2015
7FTN
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BU of 7ftn by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with propanedioic acid
分子名称: Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*TP*T)-3'), ...
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Urban, R, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
1TE7
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BU of 1te7 by Molmil
Solution NMR Structure of Protein yqfB from Escherichia coli. Northeast Structural Genomics Consortium Target ET99
分子名称: Hypothetical UPF0267 protein yqfB
著者Atreya, H.S, Shen, Y, Yee, A, Arrowsmith, C, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2004-05-24
公開日2005-01-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献G-Matrix Fourier Transform NOESY-Based Protocol for High-Quality Protein Structure Determination
J.Am.Chem.Soc., 127, 2005
7FTS
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BU of 7fts by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide
分子名称: 5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.215 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTT
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BU of 7ftt by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide
分子名称: 5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.235 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTV
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BU of 7ftv by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-2-hydroxy-N-(quinolin-6-ylmethyl)benzamide
分子名称: 5-bromo-2-hydroxy-N-[(quinolin-6-yl)methyl]benzamide, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Hunziker, D, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.875 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
4S3P
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BU of 4s3p by Molmil
Amylomaltase MalQ from Escherichia coli, apo structure
分子名称: 4-alpha-glucanotransferase
著者Weiss, S.C, Schiefner, A.
登録日2015-03-26
公開日2015-07-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for the Interconversion of Maltodextrins by MalQ, the Amylomaltase of Escherichia coli.
J.Biol.Chem., 290, 2015
7FU0
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Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(4-phenylphenyl)methylamino]-5-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
分子名称: (8S)-2-{[([1,1'-biphenyl]-4-yl)methyl]amino}-5-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION
著者Leibrock, L, Benz, J, Groebke-Zbinden, K, Hunziker, D, Rudolph, M.G.
登録日2023-02-08
公開日2024-02-21
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published

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