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2YLY
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BU of 2yly by Molmil
Sulfonamides as selective Estrogen Receptor beta Agonists.
分子名称: ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION
著者Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C.
登録日2011-06-06
公開日2012-06-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Sulfonamides as Selective Oestrogen Receptor Beta Agonists.
Bioorg.Med.Chem.Lett., 21, 2011
8JDW
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BU of 8jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH L-ALANINE
分子名称: ALANINE, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
著者Fritsche, E, Humm, A, Huber, R.
登録日1998-10-12
公開日1999-02-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
7PGX
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BU of 7pgx by Molmil
Structure of dark-adapted AsLOV2 wild type
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Gelfert, R, Weyand, M, Moeglich, A.
登録日2021-08-16
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.001 Å)
主引用文献Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
7PGZ
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BU of 7pgz by Molmil
Structure of dark-adapted AsLOV2 Q513L
分子名称: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Gelfert, R, Weyand, M, Moeglich, A.
登録日2021-08-16
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
7PH0
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BU of 7ph0 by Molmil
Structure of light-adapted AsLOV2 Q513L
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Gelfert, R, Weyand, M, Moeglich, A.
登録日2021-08-16
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.979 Å)
主引用文献Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine.
Nat Commun, 13, 2022
7PO2
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BU of 7po2 by Molmil
Initiation complex of human mitochondrial ribosome small subunit with IF2, fMet-tRNAMet and mRNA
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A.
登録日2021-09-08
公開日2022-06-15
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
7PNX
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BU of 7pnx by Molmil
Assembly intermediate of human mitochondrial ribosome small subunit without mS37 in complex with RBFA and METTL15 conformation a
分子名称: 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ...
著者Itoh, Y, Khawaja, A, Rorbach, J, Amunts, A.
登録日2021-09-08
公開日2022-06-15
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Mechanism of mitoribosomal small subunit biogenesis and preinitiation.
Nature, 606, 2022
5APK
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BU of 5apk by Molmil
Ligand complex of RORg LBD
分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR ROR-GAMMA
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
2WSC
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BU of 2wsc by Molmil
Improved Model of Plant Photosystem I
分子名称: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, AT3G54890, BETA-CAROTENE, ...
著者Amunts, A, Toporik, H, Borovikov, A, Nelson, N.
登録日2009-09-04
公開日2009-11-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure Determination and Improved Model of Plant Photosystem I.
J.Biol.Chem., 285, 2010
5F4E
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BU of 5f4e by Molmil
Crystal structure of the human sperm Izumo1 and egg Juno complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5F4V
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BU of 5f4v by Molmil
Crystal structure of the human sperm Izumo1 residues 22-268
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Izumo sperm-egg fusion protein 1
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5F5W
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BU of 5f5w by Molmil
Crystal structure of the alpha subunit of glycyl tRNA synthetase (GlyRS) from Aquifex aeolicus in complex with an analog of glycyl adenylate (Gly-SA)
分子名称: 5'-O-(glycylsulfamoyl)adenosine, Glycine--tRNA ligase alpha subunit
著者Valencia-Sanchez, M.I, Torres-Larios, A.
登録日2015-12-04
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structural Insights into the Polyphyletic Origins of Glycyl tRNA Synthetases.
J.Biol.Chem., 291, 2016
5EVO
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BU of 5evo by Molmil
Structure of Dehydroascrobate Reductase from Pennisetum Americanum in complex with two non-native ligands, Acetate in the G-site and Glycerol in the H-site
分子名称: ACETATE ION, Dehydroascorbate reductase, GLYCEROL
著者Kumar, A.O, Das, B.K, Arockiasamy, A.
登録日2015-11-20
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase.
Biochem.Biophys.Res.Commun., 473, 2016
5B6V
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BU of 5b6v by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: resting state structure
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Nango, E, Royant, A, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-06-02
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
7EO4
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BU of 7eo4 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to BAF312
分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者He, Y, Xu, Z, Ikuta, T, Inoue, A.
登録日2021-04-21
公開日2022-01-05
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
1SH8
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BU of 1sh8 by Molmil
1.5 A Crystal Structure of a Protein of Unknown Function PA5026 from Pseudomonas aeruginosa, Probable Thioesterase
分子名称: hypothetical protein PA5026
著者Zhang, R, Evdokimova, E, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-02-25
公開日2004-07-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献1.5A crystal structure of a hypothetical protein PA5026 from Pseudomonas aeruginosa
To be Published
5LXD
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BU of 5lxd by Molmil
Crystal structure of DYRK2 in complex with EHT 1610 (compound 2)
分子名称: 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
著者Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-09-20
公開日2016-10-26
最終更新日2017-01-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.
J. Med. Chem., 59, 2016
1SI9
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BU of 1si9 by Molmil
Boiling stable protein isolated from Populus tremula
分子名称: GLYCEROL, stable protein 1
著者Almog, O, Gonzales, A, Shoseyov, O, Dgany, O, Sofer, O, Wolf, S.G.
登録日2004-02-29
公開日2004-09-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The Structural Basis of the Thermostability of SP1, a Novel Plant (Populus tremula) Boiling Stable Protein.
J.Biol.Chem., 279, 2004
5EW9
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BU of 5ew9 by Molmil
Crystal Structure of Aurora A Kinase Domain Bound to MK-5108
分子名称: 4-(3-chloranyl-2-fluoranyl-phenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid, Aurora kinase A
著者Shiau, A.K, Motamedi, A.
登録日2015-11-20
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.181 Å)
主引用文献A Cell Biologist's Field Guide to Aurora Kinase Inhibitors.
Front Oncol, 5, 2015
7PPN
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BU of 7ppn by Molmil
SHP2 catalytic domain in complex with CD28 (183-198) phosphopeptide (pTyr-191, p-Thr-195)
分子名称: GLYCEROL, T-cell-specific surface glycoprotein CD28, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
5LEV
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BU of 5lev by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant)
分子名称: UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, UNKNOWN LIGAND
著者Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2016-06-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
7PPM
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BU of 7ppm by Molmil
SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
分子名称: GLYCEROL, Insulin receptor substrate 1, Tyrosine-protein phosphatase non-receptor type 11,Tyrosine-protein phosphatase non-receptor type 11
著者Sok, P, Zeke, A, Remenyi, A.
登録日2021-09-14
公開日2022-09-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into the pSer/pThr dependent regulation of the SHP2 tyrosine phosphatase in insulin and CD28 signaling.
Nat Commun, 13, 2022
5F31
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BU of 5f31 by Molmil
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group
分子名称: ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ...
著者Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
登録日2015-12-02
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
5F36
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BU of 5f36 by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
分子名称: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ...
著者Dong, J, Caflisch, A.
登録日2015-12-02
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
7KKJ
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BU of 7kkj by Molmil
Structure of anti-SARS-CoV-2 Spike nanobody mNb6
分子名称: CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6
著者Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium
登録日2020-10-27
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020

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