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2MSC
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BU of 2msc by Molmil
NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M.
登録日2014-07-29
公開日2015-06-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.
Proc.Natl.Acad.Sci.USA, 112, 2015
2MSD
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BU of 2msd by Molmil
NMR data-driven model of GTPase KRas-GNP tethered to a lipid-bilayer nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ...
著者Mazhab-Jafari, M, Stathopoulos, P, Marshall, C, Ikura, M.
登録日2014-07-29
公開日2015-06-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.
Proc.Natl.Acad.Sci.USA, 112, 2015
4S3C
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BU of 4s3c by Molmil
IspG in complex with Epoxide Intermediate
分子名称: (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, ...
著者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.
登録日2015-01-26
公開日2015-05-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3E
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BU of 4s3e by Molmil
IspG in complex with Inhibitor 7 (compound 1061)
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者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.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3B
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BU of 4s3b by Molmil
IspG in complex with Intermediate II
分子名称: (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, ...
著者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.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S38
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BU of 4s38 by Molmil
IspG in complex MEcPP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
著者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.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3D
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BU of 4s3d by Molmil
IspG in complex with PPi
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER
著者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.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3F
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BU of 4s3f by Molmil
IspG in complex with Inhibitor 8 (compound 1077)
分子名称: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate
著者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.
登録日2015-01-26
公開日2015-04-29
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3A
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BU of 4s3a by Molmil
IspG in complex with Intermediate I
分子名称: (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, ...
著者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.
登録日2015-01-26
公開日2015-05-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4UF6
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BU of 4uf6 by Molmil
UCH-L5 in complex with ubiquitin-propargyl bound to an activating fragment of INO80G
分子名称: NUCLEAR FACTOR RELATED TO KAPPA-B-BINDING PROTEIN, POLYUBIQUITIN-B, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE ISOZYME L5
著者Sahtoe, D.D, Van Dijk, W.J, El Oualid, F, Ekkebus, R, Ovaa, H, Sixma, T.K.
登録日2014-12-23
公開日2015-03-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.69 Å)
主引用文献Mechanism of Uch-L5 Activation and Inhibition by Deubad Domains in Rpn13 and Ino80G.
Mol.Cell, 57, 2015
7LYX
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BU of 7lyx by Molmil
Crystal structure of human CYP8B1 in complex with (S)-tioconazole
分子名称: (S)-Tioconazole, 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase, GLYCEROL, ...
著者Liu, J, Scott, E.E.
登録日2021-03-08
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
2AA2
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BU of 2aa2 by Molmil
Mineralocorticoid Receptor with Bound Aldosterone
分子名称: ALDOSTERONE, GLYCEROL, Mineralocorticoid receptor, ...
著者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.
登録日2005-07-13
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor
J.Biol.Chem., 280, 2005
2A1L
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BU of 2a1l by Molmil
Rat PITP-Beta Complexed to Phosphatidylcholine
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylinositol transfer protein beta isoform
著者Vordtriede, P.B, Doan, C.N, Tremblay, J.M, Helmkamp, G.M, Yoder, M.D.
登録日2005-06-20
公開日2005-11-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure of PITPbeta in Complex with Phosphatidylcholine: Comparison of Structure and Lipid Transfer to Other PITP Isoforms.
Biochemistry, 44, 2005
2BYB
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BU of 2byb by Molmil
Human Monoamine Oxidase B in complex with Deprenyl
分子名称: AMINE OXIDASE [FLAVIN-CONTAINING] B, DEPRENYL, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, De Colibus, L, Edmondson, D.E, Mattevi, A.
登録日2005-07-29
公開日2005-08-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
2BIW
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BU of 2biw by Molmil
Crystal structure of apocarotenoid cleavage oxygenase from Synechocystis, native enzyme
分子名称: (3R)-3-HYDROXY-8'-APOCAROTENOL, APOCAROTENOID-CLEAVING OXYGENASE, FE (III) ION
著者Kloer, D.P, Ruch, S, Al-Babili, S, Beyer, P, Schulz, G.E.
登録日2005-01-26
公開日2005-04-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献The Structure of a Retinal-Forming Carotenoid Oxygenase
Science, 308, 2005
2CBQ
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BU of 2cbq by Molmil
Crystal structure of the neocarzinostatin 1Tes15 mutant bound to testosterone hemisuccinate.
分子名称: NEOCARZINOSTATIN, SULFATE ION, TESTOSTERONE HEMISUCCINATE
著者Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P.
登録日2006-01-06
公開日2006-03-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
1SSJ
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BU of 1ssj by Molmil
A DNA DUPLEX CONTAINING A CHOLESTEROL ADDUCT (BETA-ANOMER)
分子名称: 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'
著者Gomez-Pinto, I, Cubero, E, Kalko, S.G, Monaco, V, van der Marel, G, van Boom, J.H, Orozco, M, Gonzalez, C.
登録日2004-03-24
公開日2004-06-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Effect of bulky lesions on DNA: Solution structure of a DNA duplex containing a cholesterol adduct.
J.Biol.Chem., 279, 2004
1T27
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BU of 1t27 by Molmil
THE STRUCTURE OF PITP COMPLEXED TO PHOSPHATIDYLCHOLINE
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylinositol transfer protein alpha isoform
著者Yoder, M.D, Thomas, L.M, Tremblay, J.M, Oliver, R.L, Yarbrough, L.R, Helmkamp Jr, G.M.
登録日2004-04-20
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献STRUCTURE OF A MULTIFUNCTIONAL PROTEIN. MAMMALIAN PHOSPHATIDYLINOSITOL TRANSFER PROTEIN COMPLEXED WITH PHOSPHATIDYLCHOLINE
J.Biol.Chem., 276, 2001
3LL5
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BU of 3ll5 by Molmil
Crystal structure of T. acidophilum isopentenyl phosphate kinase product complex
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Mabanglo, M.F, Hill, C.P.
登録日2010-01-28
公開日2010-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献X-ray structures of isopentenyl phosphate kinase.
Acs Chem.Biol., 5, 2010
3LKK
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BU of 3lkk by Molmil
Crystal structure of the isopentenyl phosphate kinase substrate complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Gamma-glutamyl kinase related protein, Isopentenyl phosphate
著者Mabanglo, M.F, Hill, C.P.
登録日2010-01-27
公開日2010-06-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献X-ray structures of isopentenyl phosphate kinase.
Acs Chem.Biol., 5, 2010
3K52
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BU of 3k52 by Molmil
Crystal Structure of Isopentenyl Phosphate Kinase from M. jannaschii in complex with IP
分子名称: Isopentenyl phosphate, SULFATE ION, isopentenyl phosphate kinase
著者Dellas, N, Noel, J.P.
登録日2009-10-06
公開日2010-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mutation of archaeal isopentenyl phosphate kinase highlights mechanism and guides phosphorylation of additional isoprenoid monophosphates.
Acs Chem.Biol., 5, 2010
2QN1
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BU of 2qn1 by Molmil
Glycogen Phosphorylase b in complex with asiatic acid
分子名称: Glycogen phosphorylase, muscle form, asiatic acid
著者Zographos, S.E, Leonidas, D.D, Alexacou, K.-M, Hayes, J, Oikonomakos, N.G.
登録日2007-07-17
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Naturally occurring pentacyclic triterpenes as inhibitors of glycogen phosphorylase: synthesis, structure-activity relationships, and X-ray crystallographic studies
J.Med.Chem., 51, 2008
2Q1H
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BU of 2q1h by Molmil
Ancestral Corticoid Receptor in Complex with Aldosterone
分子名称: ALDOSTERONE, AncCR, GLYCEROL, ...
著者Ortlund, E.A, Bridgham, J.T, Redinbo, M.R, Thornton, J.W.
登録日2007-05-24
公開日2007-09-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 2007
1XH0
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BU of 1xh0 by Molmil
Structure of the N298S variant of human pancreatic alpha-amylase complexed with acarbose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED HEXASACCHARIDE, Alpha-amylase, ...
著者Maurus, R, Begum, A, Kuo, H.H, Racaza, A, Numao, S, Overall, C.M, Withers, S.G, Brayer, G.D.
登録日2004-09-17
公開日2005-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and mechanistic studies of chloride induced activation of human pancreatic alpha-amylase
PROTEIN SCI., 14, 2005
1XD0
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BU of 1xd0 by Molmil
Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, Alpha-amylase, ...
著者Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D.
登録日2004-09-03
公開日2004-12-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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