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5AJR
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Sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with the 1-tetrazole derivative VT-1161 ((R)-2-(2,4-Difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl) pyridin-2-yl)propan-2-ol)
分子名称: (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Wawrzak, Z, Hoekstra, W, I Lepesheva, G.
登録日2015-02-26
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi.
Antimicrob.Agents Chemother., 60, 2015
5AK9
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THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MN
分子名称: 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3, ...
著者Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J.
登録日2015-03-02
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
5AKM
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THE CRYSTAL STRUCTURE OF I-DMOI G20S IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MG
分子名称: 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ...
著者Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J.
登録日2015-03-04
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
2VLL
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BU of 2vll by Molmil
The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain
分子名称: BETA-2-MICROGLOBULIN, FLU MATRIX PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Ishizuka, J, Stewart-Jones, G, Van Der Merwe, A, Bell, J, Mcmichael, A, Jones, Y.
登録日2008-01-15
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Structural Dynamics and Energetics of an Immunodominant T-Cell Receptor are Programmed by its Vbeta Domain
Immunity, 28, 2008
2IV9
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B2-appendage from AP2 in complex with Eps15 peptide
分子名称: AP-2 COMPLEX SUBUNIT BETA-2, EPIDERMAL GROWTH FACTOR RECEPTOR SUBSTRATE 15 ISOFORM B, SULFATE ION
著者Ford, M.G.J, Schmid, E.M, McMahon, H.T.
登録日2006-06-08
公開日2007-03-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of the Ap2 Beta-Appendage Hub in Recruiting Partners for Clathrin-Coated Vesicle Assembly
Plos Biol., 4, 2006
7BIP
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BU of 7bip by Molmil
Crystal structure of monooxygenase RslO1 from Streptomyces bottropensis
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Zhang, L, Zuo, C, Bechthold, A, Einsle, O.
登録日2021-01-12
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biosynthesis of the Tricyclic Aromatic Type II Polyketide Rishirilide: New Potential Third Ring Oxygenation after Three Cyclization Steps.
Mol Biotechnol., 63, 2021
7BU2
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BU of 7bu2 by Molmil
Structure of alcohol dehydrogenase YjgB from Escherichia coli
分子名称: Alcohol dehydrogenase, GLYCEROL, NITRATE ION, ...
著者Nguyen, G.T, Kim, Y.-G, Ahn, J.-W, Chang, J.H.
登録日2020-04-03
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Structural Basis for Broad Substrate Selectivity of Alcohol Dehydrogenase YjgB from Escherichia coli .
Molecules, 25, 2020
7BU7
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Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ...
著者Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
登録日2020-04-04
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
5AA2
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Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAM-pentapeptide.
分子名称: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-07-23
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
2IV8
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beta appendage in complex with b-arrestin peptide
分子名称: AP-2 COMPLEX SUBUNIT BETA-1, BETA-ARRESTIN-1
著者Ford, M.G.J, Schmid, E.M, McMahon, H.T.
登録日2006-06-08
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Role of the Ap2 Beta-Appendage Hub in Recruiting Partners for Clathrin-Coated Vesicle Assembly.
Plos Biol., 4, 2006
5AA1
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Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide
分子名称: CHLORIDE ION, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F, N-ACETYLGLUCOSAMINE-1,6-ANHYDRO-N-ACETYLMURAMIC ACID L-ALA-D-GLU-M-DAP-D-ALA-D-ALA
著者Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
登録日2015-07-23
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
2N11
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BU of 2n11 by Molmil
Solution structure of human Myosin VI isoform3 (998-1071)
分子名称: Unconventional myosin-VI
著者He, F, Walters, K.
登録日2015-03-20
公開日2016-03-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Myosin VI Contains a Compact Structural Motif that Binds to Ubiquitin Chains.
Cell Rep, 14, 2016
7BSR
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BU of 7bsr by Molmil
Mandelate oxidase with the 2-Hydroxy-3-oxosuccinic acid
分子名称: (2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 4-hydroxymandelate oxidase
著者Li, T.L, Lin, K.H.
登録日2020-03-31
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
5A3U
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BU of 5a3u by Molmil
HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid
分子名称: 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION
著者Chowdhury, R, Gomez-Perez, V, Schofield, C.J.
登録日2015-06-03
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
2J46
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Water structure of T. Aquaticus Ffh NG Domain At 1.1A Resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CHLORIDE ION, ...
著者Freymann, D.M, Ramirez, U.D.
登録日2006-08-24
公開日2006-11-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Analysis of Protein Hydration in Ultra-High Resolution Structures of the Srp Gtpase Ffh
Acta Crystallogr.,Sect.D, 62, 2006
2MUZ
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BU of 2muz by Molmil
ssNMR structure of a designed rocker protein
分子名称: designed rocker protein
著者Wang, T, Joh, N, Wu, Y, DeGrado, W.F, Hong, M.
登録日2014-09-18
公開日2014-12-24
最終更新日2015-01-14
実験手法SOLUTION NMR
主引用文献De novo design of a transmembrane Zn2+-transporting four-helix bundle.
Science, 346, 2014
2J6Z
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Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis
分子名称: PHOSPHOSERINE PHOSPHATASE RSBU
著者Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J.
登録日2006-10-05
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis.
J. Biol. Chem., 282, 2007
6I03
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BU of 6i03 by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis complexed with tetrafluoroaluminate and beta-G6P to 1.02 A
分子名称: 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
著者Robertson, A.J, Waltho, J.P.
登録日2018-10-24
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Proton transfer modulates the electrostatic environment in a general acid-base catalyzed phosphoryl transfer reaction
To Be Published
2MTU
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Non-reducible analogues of alpha-conotoxin RgIA: [3,12]-trans dicarba RgIA
分子名称: Dicarba Analogues of alpha-Conotoxin RgIA
著者Chhabra, S, Robinson, S.D, Norton, R.S.
登録日2014-09-01
公開日2014-11-26
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets.
J.Med.Chem., 57, 2014
2J51
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Crystal structure of Human STE20-like kinase bound to 5-Amino-3-((4-(aminosulfonyl)phenyl)amino) -N-(2,6-difluorophenyl)-1H-1,2,4-triazole- 1-carbothioamide
分子名称: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, STE20-LIKE SERINE/THREONINE-PROTEIN KINASE, ...
著者Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, Debreczeni, J.E, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
登録日2006-09-08
公開日2006-10-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
7BYT
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Crystal structure of exo-beta-1,3-galactanase from Phanerochaete chrysosporium Pc1,3Gal43A with galactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Matsuyama, K, Ishida, T, Kishine, N, Fujimoto, Z, Igarashi, K, Kaneko, S.
登録日2020-04-24
公開日2020-11-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unique active-site and subsite features in the arabinogalactan-degrading GH43 exo-beta-1,3-galactanase from Phanerochaete chrysosporium .
J.Biol.Chem., 295, 2020
5ABF
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Structure of GH84 with ligand
分子名称: 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
著者Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
登録日2015-08-05
公開日2015-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
2MWP
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Solution structure of 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide
分子名称: Cellular tumor antigen p53, Tumor suppressor p53-binding protein 1
著者Cui, G, Botuyan, M.V, Mer, G.
登録日2014-11-15
公開日2014-12-10
最終更新日2015-03-18
実験手法SOLUTION NMR
主引用文献Structural Plasticity of Methyllysine Recognition by the Tandem Tudor Domain of 53BP1.
Structure, 23, 2015
4E99
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Human Serum Albumin Complex with Perfluorooctane Sulfonate Potassium
分子名称: Serum albumin, heptadecafluoro-1-octanesulfonic acid
著者Luo, Z.P, Shi, X.L, Huang, M.D.
登録日2012-03-20
公開日2012-06-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural evidence of perfluorooctane sulfonate transport by human serum albumin
Chem.Res.Toxicol., 25, 2012
5A7V
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The GH130 family of mannoside phosphorylases contains glycoside hydrolases that target beta-1,2 mannosidic linkages in Candida mannan
分子名称: PUTATIVE GLYCOSIDASE PH117-RELATED, SULFATE ION, alpha-D-mannopyranose, ...
著者Cuskin, F, Basle, A, Day, A.M, Ladeveze, S, Potocki-Veronese, G, Davies, G.J, Gilbert, H.J, Lowe, E.
登録日2015-07-10
公開日2015-08-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Gh130 Family of Mannoside Phosphorylases Contains Glycoside Hydrolases that Target Beta-1,2 Mannosidic Linkages in Candida Mannan
J.Biol.Chem., 290, 2015

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