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5NFP
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BU of 5nfp by Molmil
Glucocorticoid Receptor in complex with budesonide
Descriptor: (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, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-03-15
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: MANGANESE (II) ION, SULFUR OXIDATION PROTEIN SOXB, TERTIARY-BUTYL ALCOHOL
Authors:Sauve, V, Roversi, P, Leath, K.J, Garman, E.F, Antrobus, R, Lea, S.M, Berks, B.C.
Deposit date:2009-03-24
Release date:2009-06-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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
Descriptor: Major prion protein
Authors:Calzolai, L, Lysek, D.A, Guntert, P, Wuthrich, K.
Deposit date:2004-11-11
Release date:2005-01-04
Last modified:2024-10-30
Method:SOLUTION NMR
Cite: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
Descriptor: 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)]
Authors:Pham, J.D, Chim, N, Goulding, C.W, Nowick, J.S.
Deposit date:2013-01-22
Release date:2013-07-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, GLUTATHIONE S-TRANSFERASE, SULFATE ION
Authors:Ji, X, Ammon, H.L, Armstrong, R.N, Gilliland, G.L.
Deposit date:1993-06-07
Release date:1993-10-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Chatterjee, R, Datta, S.
Deposit date:2014-11-19
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.334 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CACODYLATE ION, ...
Authors:Shimon, L.J, Peretz, M, Goihberg, E, Burstein, Y, Frolow, F.
Deposit date:2004-12-15
Release date:2006-01-17
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase ABL1
Authors:Camara-Artigas, A, Martin-Garcia, J.M.
Deposit date:2013-03-07
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Major prion protein
Authors:Christen, B, Lysek, D.A, Herrmann, T, Wuthrich, K.
Deposit date:2004-11-23
Release date:2004-12-28
Last modified:2024-10-23
Method:SOLUTION NMR
Cite: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
Descriptor: HAMMERHEAD RIBOZYME-DNA STRAND, HAMMERHEAD RIBOZYME-RNA STRAND
Authors:Pley, H.W, Flaherty, K.M, McKay, D.B.
Deposit date:1995-06-06
Release date:1995-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Dihydrodipicolinate synthase, SULFATE ION
Authors:Pearce, F.G, Dobson, R.C.J, Jameson, G.B.
Deposit date:2010-10-19
Release date:2011-11-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Phosphotriesterase, ZINC ION, hexyl(naphthalen-2-yloxy)phosphinic acid
Authors:Tokuriki, N, Jackson, C.J, Tawfik, D.S.
Deposit date:2012-03-10
Release date:2013-01-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 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'), ...
Authors:Tahirov, T.H, Ogata, K.
Deposit date:2001-01-30
Release date:2002-01-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: Fructose-1,6-bisphosphatase 1, N-({4-bromo-6-[(methylcarbamoyl)amino]pyridin-2-yl}carbamoyl)-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Authors:Ruf, A, Joseph, C, Tetaz, T, Benz, J.
Deposit date:2013-09-04
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: Geranylgeranylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE, TRIETHYLENE GLYCOL
Authors:Rajendran, C, Peterhoff, D, Beer, B, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P.
Deposit date:2013-09-07
Release date:2014-06-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8004 Å)
Cite: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
Descriptor: 1-(pyridin-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Convery, M.A.
Deposit date:2017-07-19
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.217 Å)
Cite: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
Descriptor: NADP-dependent malate dehydrogenase,Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.7 Å)
Cite: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
Descriptor: ALCOHOL DEHYDROGENASE, CHOLIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Adolph, H.W.
Deposit date:2000-01-30
Release date:2000-10-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.54 Å)
Cite: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
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malate dehydrogenase,Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
Descriptor: MAGNESIUM ION, NADP-dependent malate dehydrogenase,Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.679 Å)
Cite: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
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-cyanobenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-05-10
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.929 Å)
Cite: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
Descriptor: Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite: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
Descriptor: ACETYL COENZYME *A, CHLORIDE ION, Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: ACETYL COENZYME *A, NADP-dependent malate dehydrogenase,Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021

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