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3B65
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BU of 3b65 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
Descriptor: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B68
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BU of 3b68 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
Descriptor: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
2R24
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BU of 2r24 by Molmil
Human Aldose Reductase structure
Descriptor: Aldose reductase, IDD594, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Blakeley, M.P, Ruiz, F, Cachau, R, Hazemann, I, Meilleur, F, Mitschler, A, Ginell, S, Afonine, P, Ventura, O.N, Cousido-Siah, A, Haertlein, M, Joachimiak, A, Myles, D, Podjarny, A.
Deposit date:2007-08-24
Release date:2008-12-23
Last modified:2024-02-21
Method:NEUTRON DIFFRACTION (1.752 Å), X-RAY DIFFRACTION
Cite:Quantum model of catalysis based on mobile proton revealed by subatomic X-Ray and neutron diffraction studies of h-Aldose Reductase
Proc.Natl.Acad.Sci.USA, 105, 2008
4B0N
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BU of 4b0n by Molmil
Crystal structure of PKS-I from the brown algae Ectocarpus siliculosus
Descriptor: ARACHIDONIC ACID, MALONIC ACID, POLYKETIDE SYNTHASE III
Authors:Leroux, C, Meslet-Cladiere, L, Delage, L, Goulitquer, S, Leblanc, C, Ar Gall, E, Stiger-Pouvreau, V, Potin, P, Czjzek, M.
Deposit date:2012-07-03
Release date:2013-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure/Function Analysis of a Type III Polyketide Synthase in the Brown Alga Ectocarpus Siliculosus Reveals a Biochemical Pathway in Phlorotannin Monomer Biosynthesis.
Plant Cell, 25, 2013
6I9Z
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BU of 6i9z by Molmil
urate oxidase under 65 bar of argon
Descriptor: 8-AZAXANTHINE, ARGON, SODIUM ION, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
6IA9
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BU of 6ia9 by Molmil
urate oxidase under 2000 bar (220 MPa) of argon
Descriptor: 8-AZAXANTHINE, ACETYL GROUP, ARGON, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
6IA3
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BU of 6ia3 by Molmil
urate oxidase under 220 bar (22 MPa) of argon
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ARGON, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
2I17
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BU of 2i17 by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 60K
Descriptor: Aldose reductase, CITRIC ACID, IDD594, ...
Authors:Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
Deposit date:2006-08-13
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
2I16
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BU of 2i16 by Molmil
Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of 15K
Descriptor: Aldose reductase, CITRIC ACID, IDD594, ...
Authors:Petrova, T, Ginell, S, Mitshler, A, Hasemann, I, Schneider, T, Cousido, A, Lunin, V.Y, Joachimiak, A, Podjarny, A.
Deposit date:2006-08-13
Release date:2006-08-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Ultrahigh-resolution study of protein atomic displacement parameters at cryotemperatures obtained with a helium cryostat.
Acta Crystallogr.,Sect.D, 62, 2006
5ZCI
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BU of 5zci by Molmil
Crystal structure of apo form of Xylose reductase from Debaryomyces nepalensis
Descriptor: Aldose reductase
Authors:Manoj, N.
Deposit date:2018-02-17
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of yeast xylose reductase in complex with a novel NADP-DTT adduct provides insights into substrate recognition and catalysis.
FEBS J., 285, 2018
5ZCM
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BU of 5zcm by Molmil
Crystal structure of Xylose reductase from Debaryomyces nepalensis in complex with NADP-DTT adduct
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Manoj, N.
Deposit date:2018-02-19
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of yeast xylose reductase in complex with a novel NADP-DTT adduct provides insights into substrate recognition and catalysis.
FEBS J., 285, 2018
3SMP
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BU of 3smp by Molmil
Monoclinic crystal structure of human pantothenate kinase 1 alpha
Descriptor: ACETYL COENZYME *A, ARSENIC, CHLORIDE ION, ...
Authors:Guan, X, Tempel, W, Hong, B, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Monoclinic crystal structure of human pantothenate kinase 1 alpha
to be published
1NQ0
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BU of 1nq0 by Molmil
TR Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal LBD
Descriptor: ARSENIC, Thyroid hormone receptor beta-1, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Authors:Huber, B.R, Desclozeaux, M, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Baxter, J.D, Ingraham, H.A, Fletterick, R.J.
Deposit date:2003-01-20
Release date:2003-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Thyroid hormone receptor-beta mutations conferring hormone resistance and reduced corepressor release exhibit decreased stability in the N-terminal ligand-binding domain
Mol.Endocrinol., 17, 2003
1NQ2
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BU of 1nq2 by Molmil
Two RTH Mutants with Impaired Hormone Binding
Descriptor: ARSENIC, SODIUM ION, Thyroid hormone receptor beta-1, ...
Authors:Huber, B.R, Sandler, B, West, B.L, Cunha-Lima, S.T, Nguyen, H.T, Apriletti, J.W, Baxter, J.D, Fletterick, R.J.
Deposit date:2003-01-21
Release date:2003-04-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Two resistance to thyroid hormone mutants with impaired hormone binding
Mol.Endocrinol., 17, 2003
3GWT
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BU of 3gwt by Molmil
Catalytic domain of human phosphodiesterase 4B2B in complex with a quinoline inhibitor
Descriptor: 6-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-04-01
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.
Bioorg.Med.Chem.Lett., 19, 2009
3O56
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BU of 3o56 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
Descriptor: 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2010-07-28
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
2J4Z
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BU of 2j4z by Molmil
Structure of Aurora-2 in complex with PHA-680626
Descriptor: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6
Authors:Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P.
Deposit date:2006-09-08
Release date:2006-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
3FRG
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BU of 3frg by Molmil
Catalytic Domain of Human Phosphodiesterase 4B2B in Complex with a Quinoline Inhibitor
Descriptor: 4-[(3-methoxyphenyl)amino]-6-(methylsulfonyl)quinoline-3-carboxamide, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Quinolines as a novel structural class of potent and selective PDE4 inhibitors: optimisation for oral administration.
Bioorg.Med.Chem.Lett., 19, 2009
3CAO
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BU of 3cao by Molmil
OXIDISED STRUCTURE OF THE ACIDIC CYTOCHROME C3 FROM DESULFOVIBRIO AFRICANUS
Descriptor: ARSENIC, CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Norager, S, Legrand, P, Pieulle, L, Hatchikian, C, Roth, M.
Deposit date:1998-11-17
Release date:2000-07-23
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the oxidised and reduced acidic cytochrome c3from Desulfovibrio africanus.
J.Mol.Biol., 290, 1999
3CAR
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BU of 3car by Molmil
REDUCED STRUCTURE OF THE ACIDIC CYTOCHROME C3 FROM DESULFOVIBRIO AFRICANUS
Descriptor: ARSENIC, CYTOCHROME C3, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Norager, S, Legrand, P, Pieulle, L, Hatchikian, C, Roth, M.
Deposit date:1998-11-17
Release date:2000-07-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the oxidised and reduced acidic cytochrome c3from Desulfovibrio africanus.
J.Mol.Biol., 290, 1999
3O57
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BU of 3o57 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
Descriptor: 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2010-07-28
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
5DAK
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BU of 5dak by Molmil
Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the absence of Glutathione
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARSENIC, Glutathione S-transferase P
Authors:Parker, L.J, Parker, M.W, Morton, C.J.
Deposit date:2015-08-20
Release date:2016-12-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Visualisation of Organoarsenic Human Glutathione Transferase P1-1 Complexes: Metabolism of Arsenic-based Therapeutics
To Be Published
6J0E
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BU of 6j0e by Molmil
Structures of two ArsR As(III)-responsive repressors: implications for the mechanism of derepression
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ARSENIC, Arsenic responsive repressor ArsR
Authors:Prabaharan, C, Kandavelu, P, Packianathan, C, Rosen, P.B, Thiyagarajan, S.
Deposit date:2018-12-24
Release date:2019-07-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of two ArsR As(III)-responsive transcriptional repressors: Implications for the mechanism of derepression.
J.Struct.Biol., 207, 2019
3SMT
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BU of 3smt by Molmil
Crystal structure of human SET domain-containing protein3
Descriptor: ACETATE ION, ARSENIC, Histone-lysine N-methyltransferase setd3, ...
Authors:Dong, A, Zeng, H, Walker, J.R, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of human SET domain-containing protein3
To be Published
1WN6
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BU of 1wn6 by Molmil
Crystal Structure of Blasticidin S Deaminase (BSD) Complexed with Tetrahedral Intermediate of Blasticidin S
Descriptor: 6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID, ARSENIC, Blasticidin-S deaminase, ...
Authors:Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T.
Deposit date:2004-07-27
Release date:2005-10-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007

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