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5NFP
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BU of 5nfp by Molmil
Glucocorticoid Receptor in complex with budesonide
分子名称: (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
著者Edman, K, Wissler, L.
登録日2017-03-15
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
2WDF
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BU of 2wdf by Molmil
Termus thermophilus Sulfate thiohydrolase SoxB
分子名称: MANGANESE (II) ION, SULFUR OXIDATION PROTEIN SOXB, TERTIARY-BUTYL ALCOHOL
著者Sauve, V, Roversi, P, Leath, K.J, Garman, E.F, Antrobus, R, Lea, S.M, Berks, B.C.
登録日2009-03-24
公開日2009-06-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Mechanism for the Hydrolysis of a Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb.
J.Biol.Chem., 284, 2009
1XYU
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BU of 1xyu by Molmil
Solution structure of the sheep prion protein with polymorphism H168
分子名称: Major prion protein
著者Calzolai, L, Lysek, D.A, Guntert, P, Wuthrich, K.
登録日2004-11-11
公開日2005-01-04
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.USA, 102, 2005
4IVH
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BU of 4ivh by Molmil
Crystal structure of QKLVFFAED nonapeptide segment from amyloid beta incorporated into a macrocyclic beta-sheet template
分子名称: SODIUM ION, TERTIARY-BUTYL ALCOHOL, cyclo[Gln-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-(delta-linked-Orn)-Hao-Lys-Hao-(p-bromoPhe)-Thr-(delta-linked-Orn)]
著者Pham, J.D, Chim, N, Goulding, C.W, Nowick, J.S.
登録日2013-01-22
公開日2013-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structures of beta-Amyloid Peptide Oligomers
J.Am.Chem.Soc., 2013
3GST
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BU of 3gst by Molmil
STRUCTURE OF THE XENOBIOTIC SUBSTRATE BINDING SITE OF A GLUTATHIONE S-TRANSFERASE AS REVEALED BY X-RAY CRYSTALLOGRAPHIC ANALYSIS OF PRODUCT COMPLEXES WITH THE DIASTEREOMERS OF 9-(S-GLUTATHIONYL)-10-HYDROXY-9, 10-DIHYDROPHENANTHRENE
分子名称: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION
著者Ji, X, Ammon, H.L, Armstrong, R.N, Gilliland, G.L.
登録日1993-06-07
公開日1993-10-31
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 function of the xenobiotic substrate binding site of a glutathione S-transferase as revealed by X-ray crystallographic analysis of product complexes with the diastereomers of 9-(S-glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene.
Biochemistry, 33, 1994
3X1J
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BU of 3x1j by Molmil
Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa
分子名称: ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Chatterjee, R, Datta, S.
登録日2014-11-19
公開日2015-11-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa
Biochim.Biophys.Acta, 1864, 2016
1Y9A
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BU of 1y9a by Molmil
Alcohol Dehydrogenase from Entamoeba histolotica in complex with cacodylate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CACODYLATE ION, ...
著者Shimon, L.J, Peretz, M, Goihberg, E, Burstein, Y, Frolow, F.
登録日2004-12-15
公開日2006-01-17
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure of alcohol dehydrogenase from Entamoeba histolytica.
Acta Crystallogr.,Sect.D, 62, 2006
4JJC
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BU of 4jjc by Molmil
Crystal structure of the Abl-SH3 domain at pH5
分子名称: DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase ABL1
著者Camara-Artigas, A, Martin-Garcia, J.M.
登録日2013-03-07
公開日2014-03-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the Abl-SH3 domain at pH5
To be Published
1Y2S
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BU of 1y2s by Molmil
Ovine Prion Protein Variant R168
分子名称: Major prion protein
著者Christen, B, Lysek, D.A, Herrmann, T, Wuthrich, K.
登録日2004-11-23
公開日2004-12-28
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Prion protein NMR structures of cats, dogs, pigs, and sheep
Proc.Natl.Acad.Sci.USA, 102, 2005
1HMH
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BU of 1hmh by Molmil
THREE-DIMENSIONAL STRUCTURE OF A HAMMERHEAD RIBOZYME
分子名称: HAMMERHEAD RIBOZYME-DNA STRAND, HAMMERHEAD RIBOZYME-RNA STRAND
著者Pley, H.W, Flaherty, K.M, McKay, D.B.
登録日1995-06-06
公開日1995-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Three-dimensional structure of a hammerhead ribozyme.
Nature, 372, 1994
3PB0
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BU of 3pb0 by Molmil
Characterisation of the first monomeric dihydrodipicolinate synthase variant reveals evolutionary insights
分子名称: Dihydrodipicolinate synthase, SULFATE ION
著者Pearce, F.G, Dobson, R.C.J, Jameson, G.B.
登録日2010-10-19
公開日2011-11-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Characterization of monomeric dihydrodipicolinate synthase variant reveals the importance of substrate binding in optimizing oligomerization.
Biochim.Biophys.Acta, 1814, 2011
4E3T
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BU of 4e3t by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Transition State Analog
分子名称: Phosphotriesterase, ZINC ION, hexyl(naphthalen-2-yloxy)phosphinic acid
著者Tokuriki, N, Jackson, C.J, Tawfik, D.S.
登録日2012-03-10
公開日2013-01-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
1H89
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BU of 1h89 by Molmil
CRYSTAL STRUCTURE OF TERNARY PROTEIN-DNA COMPLEX2
分子名称: CAAT/ENHANCER BINDING PROTEIN BETA, DNA(5'-(*CP*CP*AP*GP*TP*CP*CP*GP*TP*TP*AP* AP*GP*GP*AP*TP*TP*GP*CP*GP*CP*CP*AP*CP*AP*T)-3'), DNA(5'-(*GP*AP*TP*GP*TP*GP*GP*CP*GP*CP*AP* AP*TP*CP*CP*TP*TP*AP*AP*CP*GP*GP*AP*CP*TP*G)-3'), ...
著者Tahirov, T.H, Ogata, K.
登録日2001-01-30
公開日2002-01-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Mechanism of C-Myb-C/Ebpbeta Cooperation from Separated Sites on a Promoter
Cell(Cambridge,Mass.), 108, 2002
4MJO
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BU of 4mjo by Molmil
Human liver fructose-1,6-bisphosphatase(d-fructose-1,6-bisphosphate, 1-phosphohydrolase) (e.c.3.1.3.11) complexed with the allosteric inhibitor 3
分子名称: Fructose-1,6-bisphosphatase 1, N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
著者Ruf, A, Joseph, C, Tetaz, T, Benz, J.
登録日2013-09-04
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Determination of protein-ligand binding constants of a cooperatively regulated tetrameric enzyme using electrospray mass spectrometry.
Acs Chem.Biol., 9, 2014
4MM1
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BU of 4mm1 by Molmil
GGGPS from Methanothermobacter thermautotrophicus
分子名称: Geranylgeranylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE, TRIETHYLENE GLYCOL
著者Rajendran, C, Peterhoff, D, Beer, B, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P.
登録日2013-09-07
公開日2014-06-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8004 Å)
主引用文献A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization.
Mol.Microbiol., 92, 2014
5OIP
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BU of 5oip by Molmil
InhA (T2A mutant) complexed with 1-(Pyridin-3-ylmethyl)-3-(1-(pyrimidin-2-yl)piperidin-4-yl)urea
分子名称: 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
6ZNR
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BU of 6znr by Molmil
MaeB PTA domain R535A mutant
分子名称: Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.217 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
6ZNJ
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BU of 6znj by Molmil
MaeB full-length enzyme apoprotein form
分子名称: NADP-dependent malate dehydrogenase,Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
1EE2
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BU of 1ee2 by Molmil
THE STRUCTURE OF STEROID-ACTIVE ALCOHOL DEHYDROGENASE AT 1.54 A RESOLUTION
分子名称: ALCOHOL DEHYDROGENASE, CHOLIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Adolph, H.W.
登録日2000-01-30
公開日2000-10-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis for substrate specificity differences of horse liver alcohol dehydrogenase isozymes.
Biochemistry, 39, 2000
6ZN7
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BU of 6zn7 by Molmil
MaeB malic enzyme domain apoprotein
分子名称: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malate dehydrogenase,Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
6ZN4
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BU of 6zn4 by Molmil
MaeB malic enzyme domain apoprotein
分子名称: MAGNESIUM ION, NADP-dependent malate dehydrogenase,Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
6ROB
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BU of 6rob by Molmil
Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-cyanobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-05-10
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.929 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6ZN9
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BU of 6zn9 by Molmil
MaeB PTA domain apoprotein
分子名称: Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
6ZNU
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BU of 6znu by Molmil
MaeB PTA domain E544R mutant
分子名称: ACETYL COENZYME *A, CHLORIDE ION, Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
6ZNG
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BU of 6zng by Molmil
MaeB full-length acetyl-CoA bound state
分子名称: ACETYL COENZYME *A, NADP-dependent malate dehydrogenase,Malate dehydrogenase
著者Lovering, A.L, Harding, C.J.
登録日2020-07-06
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021

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