2MSC
 
 | | NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M. | | Deposit date: | 2014-07-29 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2MSD
 | | NMR data-driven model of GTPase KRas-GNP tethered to a lipid-bilayer nanodisc | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | | Authors: | Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M. | | Deposit date: | 2014-07-29 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4S3C
 | | IspG in complex with Epoxide Intermediate | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3E
 | | IspG in complex with Inhibitor 7 (compound 1061) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3B
 | | IspG in complex with Intermediate II | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S38
 | | IspG in complex MEcPP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3D
 | | IspG in complex with PPi | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3F
 | | IspG in complex with Inhibitor 8 (compound 1077) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3A
 | | IspG in complex with Intermediate I | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4UF6
 | | UCH-L5 in complex with ubiquitin-propargyl bound to an activating fragment of INO80G | | Descriptor: | NUCLEAR FACTOR RELATED TO KAPPA-B-BINDING PROTEIN, POLYUBIQUITIN-B, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE ISOZYME L5 | | Authors: | Sahtoe, D.D, Van Dijk, W.J, El Oualid, F, Ekkebus, R, Ovaa, H, Sixma, T.K. | | Deposit date: | 2014-12-23 | | Release date: | 2015-03-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.69 Å) | | Cite: | Mechanism of Uch-L5 Activation and Inhibition by Deubad Domains in Rpn13 and Ino80G.
Mol.Cell, 57, 2015
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7LYX
 | | Crystal structure of human CYP8B1 in complex with (S)-tioconazole | | Descriptor: | (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ... | | Authors: | Liu, J, Scott, E.E. | | Deposit date: | 2021-03-08 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure and characterization of human cytochrome P450 8B1 supports future drug design for nonalcoholic fatty liver disease and diabetes.
J.Biol.Chem., 298, 2022
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2AA2
 | | Mineralocorticoid Receptor with Bound Aldosterone | | Descriptor: | ALDOSTERONE, GLYCEROL, Mineralocorticoid receptor, ... | | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | | Deposit date: | 2005-07-13 | | Release date: | 2005-07-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
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2A1L
 | | Rat PITP-Beta Complexed to Phosphatidylcholine | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylinositol transfer protein beta isoform | | Authors: | Vordtriede, P.B, Doan, C.N, Tremblay, J.M, Helmkamp, G.M, Yoder, M.D. | | Deposit date: | 2005-06-20 | | Release date: | 2005-11-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structure of PITPbeta in Complex with Phosphatidylcholine: Comparison of Structure and Lipid Transfer to Other PITP Isoforms.
Biochemistry, 44, 2005
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2BYB
 | | Human Monoamine Oxidase B in complex with Deprenyl | | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, DEPRENYL, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Binda, C, De Colibus, L, Edmondson, D.E, Mattevi, A. | | Deposit date: | 2005-07-29 | | Release date: | 2005-08-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B
Proc.Natl.Acad.Sci.USA, 102, 2005
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2BIW
 | | Crystal structure of apocarotenoid cleavage oxygenase from Synechocystis, native enzyme | | Descriptor: | (3R)-3-HYDROXY-8'-APOCAROTENOL, APOCAROTENOID-CLEAVING OXYGENASE, FE (III) ION | | Authors: | Kloer, D.P, Ruch, S, Al-Babili, S, Beyer, P, Schulz, G.E. | | Deposit date: | 2005-01-26 | | Release date: | 2005-04-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | The Structure of a Retinal-Forming Carotenoid Oxygenase
Science, 308, 2005
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2CBQ
 | | Crystal structure of the neocarzinostatin 1Tes15 mutant bound to testosterone hemisuccinate. | | Descriptor: | NEOCARZINOSTATIN, SULFATE ION, TESTOSTERONE HEMISUCCINATE | | Authors: | Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P. | | Deposit date: | 2006-01-06 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
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1SSJ
 | | A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER) | | Descriptor: | 5'-D(*CP*CP*AP*CP*(HOB)P*GP*GP*AP*AP*C)-3', 5'-D(GP*TP*TP*CP*CP*GP*GP*TP*GP*G)-3' | | Authors: | Gomez-Pinto, I, Cubero, E, Kalko, S.G, Monaco, V, van der Marel, G, van Boom, J.H, Orozco, M, Gonzalez, C. | | Deposit date: | 2004-03-24 | | Release date: | 2004-06-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Effect of bulky lesions on DNA: Solution structure of a DNA duplex containing a cholesterol adduct.
J.Biol.Chem., 279, 2004
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1T27
 | | THE STRUCTURE OF PITP COMPLEXED TO PHOSPHATIDYLCHOLINE | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylinositol transfer protein alpha isoform | | Authors: | Yoder, M.D, Thomas, L.M, Tremblay, J.M, Oliver, R.L, Yarbrough, L.R, Helmkamp Jr, G.M. | | Deposit date: | 2004-04-20 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | STRUCTURE OF A MULTIFUNCTIONAL PROTEIN. MAMMALIAN PHOSPHATIDYLINOSITOL TRANSFER PROTEIN COMPLEXED WITH PHOSPHATIDYLCHOLINE
J.Biol.Chem., 276, 2001
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3LL5
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3LKK
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3K52
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2QN1
 | | Glycogen Phosphorylase b in complex with asiatic acid | | Descriptor: | Glycogen phosphorylase, muscle form, asiatic acid | | Authors: | Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G. | | Deposit date: | 2007-07-17 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
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2Q1H
 | | Ancestral Corticoid Receptor in Complex with Aldosterone | | Descriptor: | ALDOSTERONE, AncCR, GLYCEROL, ... | | Authors: | Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W. | | Deposit date: | 2007-05-24 | | Release date: | 2007-09-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 2007
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1XH0
 | | Structure of the N298S variant of human pancreatic alpha-amylase complexed with acarbose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED HEXASACCHARIDE, Alpha-amylase, ... | | Authors: | Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D. | | Deposit date: | 2004-09-17 | | Release date: | 2005-05-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
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1XD0
 | | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, Alpha-amylase, ... | | Authors: | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | | Deposit date: | 2004-09-03 | | Release date: | 2004-12-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
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