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4H69
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Crystal Structure of the Allene Oxide Cyclase 2 from Physcomitrella patens complexed with substrate analog
分子名称: (9Z)-11-{(2R,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid, Allene oxide cyclase, ISOPROPYL ALCOHOL, ...
著者Neumann, P, Ficner, R.
登録日2012-09-19
公開日2012-10-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
4H4D
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IspH in complex with (E)-4-amino-3-methylbut-2-enyl diphosphate
分子名称: (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M.
登録日2012-09-17
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
4CRT
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Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234
分子名称: (E)-N-methyl-N-[[1-methyl-5-[3-[1-(phenylmethyl)piperidin-4-yl]propoxy]indol-2-yl]methyl]prop-1-en-1-amine, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE
著者Esteban, G, Allan, J, Samadi, A, Mattevi, A, Unzeta, M, Marco-Contelles, J, Binda, C, Ramsay, R.R.
登録日2014-02-28
公開日2014-04-02
最終更新日2014-05-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Kinetic and Structural Analysis of the Irreversible Inhibition of Human Monoamine Oxidases by Ass234, a Multi-Target Compound Designed for Use in Alzheimer'S Disease.
Biochim.Biophys.Acta, 1844, 2014
4DQM
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Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity
分子名称: (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one, Nuclear receptor coactivator 1, Retinoic acid receptor alpha
著者Wang, S, Wang, Z, Lin, S, Zheng, W, Wang, R, Jin, S, Chen, J, Jin, L, Li, Y.
登録日2012-02-16
公開日2012-10-03
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Revealing a natural marine product as a novel agonist for retinoic acid receptors with a unique binding mode and inhibitory effects on cancer cells.
Biochem.J., 446, 2012
4H44
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2.70 A Cytochrome b6f Complex Structure From Nostoc PCC 7120
分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Hasan, S.S, Yamashita, E, Baniulis, D, Cramer, W.A.
登録日2012-09-16
公開日2013-02-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Quinone-dependent proton transfer pathways in the photosynthetic cytochrome b6f complex
Proc.Natl.Acad.Sci.USA, 110, 2013
4H4E
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IspH in complex with (E)-4-mercapto-3-methylbut-2-enyl diphosphate
分子名称: (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M.
登録日2012-09-17
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
4HNP
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Crystal structure of yeast 20S proteasome in complex with vinylketone carmaphycin analogue VNK1
分子名称: N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, Proteasome component C1, ...
著者Trivella, D.B.B, Stein, M, Groll, M.
登録日2012-10-20
公開日2014-01-29
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.
Chem.Biol., 21, 2014
4D9T
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Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
分子名称: Ribosomal protein S6 kinase alpha-3, SODIUM ION, methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
著者Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J.
登録日2012-01-12
公開日2012-04-25
最終更新日2012-05-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
4HSH
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tRNA-guanine transglycosylase Y106F, V233G mutant in complex with queuine
分子名称: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
登録日2012-10-30
公開日2012-11-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
4HVX
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tRNA-guanine transglycosylase Y106F, C158V mutant in complex with queuine
分子名称: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
登録日2012-11-07
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
6RLR
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BU of 6rlr by Molmil
Crystal structure of CD9 large extracellular loop
分子名称: CD9 antigen
著者Neviani, V, Kroon-Batenburg, L, Lutz, M, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P.
登録日2019-05-02
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
4HQV
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BU of 4hqv by Molmil
tRNA-guanine transglycosylase Y106F, C158V, V233G mutant in complex with queuine
分子名称: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Biela, I, Tidten-Luksch, N, Heine, A, Reuter, K, Klebe, G.
登録日2012-10-26
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor.
Plos One, 8, 2013
4DS8
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Complex structure of abscisic acid receptor PYL3-(+)-ABA-HAB1 in the presence of Mn2+
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, GLYCEROL, ...
著者Zhang, X, Zhang, Q, Wang, G, Chen, Z.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
4GXM
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OYE1-W116L in complex with aromatic product of R-carvone dismutation
分子名称: 2-methyl-5-(prop-1-en-2-yl)phenol, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Pompeu, Y.A, Stewart, J.D.
登録日2012-09-04
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.362 Å)
主引用文献X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
4GVT
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Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide (hexagonal form)
分子名称: Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
著者Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L.
登録日2012-08-31
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4H4I
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OYE1-W116V complexed with the dismutation product of (S)-carvone
分子名称: 2-methyl-5-(prop-1-en-2-yl)phenol, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Pompeu, Y.A, Stewart, J.D.
登録日2012-09-17
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献X-ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
4IFG
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Crystal structure of TgCDPK1 with inhibitor bound
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION
著者El Bakkouri, M, Tempel, W, Crandall, I, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, K, Hui, R, Structural Genomics Consortium (SGC)
登録日2012-12-14
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of TgCDPK1 with inhibitor bound
To be Published
4CE9
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Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: (2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ACETIC ACID, GLYCEROL, ...
著者Peat, T.S.
登録日2013-11-11
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
6UL0
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STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4
分子名称: 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
4IMO
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Crystal structure of wild type human Lipocalin PGDS in complex with substrate analog U44069
分子名称: (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid, Lipocalin-type prostaglandin-D synthase, THIOCYANATE ION
著者Lim, S.M, Chen, D, Teo, H, Roos, A, Nyman, T, Tresaugues, L, Pervushin, K, Nordlund, P.
登録日2013-01-03
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural and dynamic insights into substrate binding and catalysis of human lipocalin prostaglandin D synthase.
J.Lipid Res., 54, 2013
4CEZ
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Interrogating HIV integrase for compounds that bind- a SAMPL challenge
分子名称: (2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Peat, T.S.
登録日2013-11-13
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
4EPL
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Crystal Structure of Arabidopsis thaliana GH3.11 (JAR1) in Complex with JA-Ile
分子名称: Jasmonic acid-amido synthetase JAR1, N-({(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine
著者Westfall, C.S, Zubieta, C, Herrmann, J, Kapp, U, Nanao, M.H, Jez, J.M.
登録日2012-04-17
公開日2012-06-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.007 Å)
主引用文献Structural basis for prereceptor modulation of plant hormones by GH3 proteins.
Science, 336, 2012
4E70
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Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol
分子名称: 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, GLYCEROL
著者Wolters, S, Heine, A, Petersen, M.
登録日2012-03-16
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6093 Å)
主引用文献Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
4DSB
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Complex Structure of Abscisic Acid Receptor PYL3 with (+)-ABA in Spacegroup of I 212121 at 2.70A
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3
著者Zhang, X, Zhang, Q, Chen, Z.
登録日2012-02-18
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
4EU2
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Crystal structure of 20s proteasome with novel inhibitor K-7174
分子名称: 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane, Proteasome component C1, Proteasome component C11, ...
著者Kikuchi, J, Shibayama, N, Yamada, S, Wada, T, Nobuyoshi, M, Izumi, T, Akutsu, M, Kano, Y, Ohki, M, Sugiyama, K, Park, S.-Y, Furukawa, Y.
登録日2012-04-25
公開日2013-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.509 Å)
主引用文献Homopiperazine derivatives as a novel class of proteasome inhibitors with a unique mode of proteasome binding.
Plos One, 8, 2013

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