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4V3R
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Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
分子名称: MAGNESIUM ION, YIII_M5_AII
著者Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
登録日2014-10-20
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
4V7R
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Yeast 80S ribosome.
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Ben-Shem, A, Jenner, L, Yusupova, G, Yusupov, M.
登録日2010-07-23
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of the eukaryotic ribosome.
Science, 330, 2010
4V9C
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Allosteric control of the ribosome by small-molecule antibiotics
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Cate, J.H.D, Pulk, A, Blanchard, S.C, Wang, L, Feldman, M.B, Wasserman, M.R, Altman, R.
登録日2012-07-25
公開日2014-07-09
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Allosteric control of the ribosome by small-molecule antibiotics.
Nat.Struct.Mol.Biol., 19, 2012
4W9E
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pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4)
分子名称: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
8R7G
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Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234
分子名称: 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I
著者Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N.
登録日2023-11-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
4WB3
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Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin
分子名称: ACETATE ION, CALCIUM ION, Complement C5, ...
著者Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
登録日2014-09-02
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
4WDH
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Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION
著者Myllykoski, M, Raasakka, A, Kursula, P.
登録日2014-09-08
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4UWF
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BU of 4uwf by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4V49
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Crystal Structure of a Streptomycin Dependent Ribosome from E. Coli 70S Ribosome.
分子名称: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S ribosomal protein S10, ...
著者Vila-Sanjurjo, A, Ridgeway, W.K, Seymaner, V, Zhang, W, Santoso, S, Yu, K, Cate, J.H.D.
登録日2003-06-13
公開日2014-07-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (8.7 Å)
主引用文献X-ray Crystal Structures of the WT and a Hyper-Accurate Ribosome From Escherichia Coli
Proc.Natl.Acad.Sci.USA, 100, 2003
4V2C
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BU of 4v2c by Molmil
mouse FLRT2 LRR domain in complex with rat Unc5D Ig1 domain
分子名称: FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2, PROTEIN UNC5D
著者Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R.
登録日2014-10-08
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development
Neuron, 84, 2014
4UWG
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Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
分子名称: (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
著者Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
登録日2014-08-12
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
4UXP
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BU of 4uxp by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ...
著者Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
登録日2014-08-27
公開日2014-09-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
4UXY
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BU of 4uxy by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
分子名称: ALPHA TUBULIN, BETA TUBULIN, GUANOSINE-5'-DIPHOSPHATE, ...
著者Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
登録日2014-08-27
公開日2014-09-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
2GD3
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BU of 2gd3 by Molmil
NMR structure of S14G-humanin in 30% TFE solution
分子名称: Humanin
著者Benaki, D, Zikos, C, Evangelou, A, Livaniou, E, Vlassi, M, Mikros, E, Pelecanou, M.
登録日2006-03-15
公開日2006-09-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of Ser14Gly-humanin, a potent rescue factor against neuronal cell death in Alzheimer's disease.
Biochem.Biophys.Res.Commun., 349, 2006
4V5B
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BU of 4v5b by Molmil
Structure of PDF binding helix in complex with the ribosome.
分子名称: 16S RIBOSOMAL RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Bingel-Erlenmeyer, R, Kohler, R, Kramer, G, Sandikci, A, Antolic, S, Maier, T, Schaffitzel, C, Wiedmann, B, Bukau, B, Ban, N.
登録日2007-11-22
公開日2014-07-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.74 Å)
主引用文献A Peptide Deformylase-Ribosome Complex Reveals Mechanism of Nascent Chain Processing.
Nature, 452, 2008
4V83
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Crystal structure of a complex containing domain 3 from the PSIV IGR IRES RNA bound to the 70S ribosome.
分子名称: 23S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Zhu, J, Korostelev, A, Costantino, D, Noller, H.F, Kieft, J.S.
登録日2010-12-13
公開日2014-07-09
最終更新日2014-12-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structures of complexes containing domains from two viral internal ribosome entry site (IRES) RNAs bound to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 108, 2011
4W9M
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AMPPNP bound Rad50 in complex with dsDNA
分子名称: DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*CP*AP*CP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*GP*AP*CP*CP*GP*AP*CP*C)-3'), Exonuclease, ...
著者Rojowska, A, Lammens, K.
登録日2014-08-27
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the Rad50 DNA double-strand break repair protein in complex with DNA.
Embo J., 33, 2014
4WAC
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Crystal Structure of TarM
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Koc, C, Stehle, T, Xia, G, Peschel, A.
登録日2014-08-29
公開日2015-02-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid.
J.Biol.Chem., 290, 2015
4WDD
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BU of 4wdd by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with citrate
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, CITRIC ACID, ...
著者Myllykoski, M, Raasakka, A, Kursula, P.
登録日2014-09-08
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
8RFM
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BU of 8rfm by Molmil
Human NOQ1 enzyme in complex with NADH by serial crystallography
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L.
登録日2023-12-13
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
4W5B
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Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)
分子名称: Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
著者Tochowicz, A, McKerrow, J.H, Craik, C.S.
登録日2014-08-17
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.
To Be Published
8RFN
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BU of 8rfn by Molmil
Human NOQ1 enzyme in its holo form by serial crystallography
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L.
登録日2023-12-13
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
4W66
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BU of 4w66 by Molmil
Crystal structure of Glutathione S-transferase domain protein from Haliangium ochraceum DSM 14365
分子名称: GLUTATHIONE, Glutathione S-transferase domain protein
著者Chang, C, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-20
公開日2014-09-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal structure of Glutathione S-transferase domain protein from Haliangium ochraceum DSM 14365
To Be Published
4W9J
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pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-4-methylpentanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 13)
分子名称: N-acetyl-L-leucyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9F
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pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 5)
分子名称: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者van Molle, I, Hewitt, S, Galdeano, C, Gadd, M.S, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014

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