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PDB: 197 件
4BAQ
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Thrombin in complex with inhibitor
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAN
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Thrombin in complex with inhibitor
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAK
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Thrombin in complex with inhibitor
分子名称: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAO
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Thrombin in complex with inhibitor
分子名称: (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
5APJ
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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 COACTIVATOR 2, 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 (2.08 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
5APH
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Ligand complex of RORg LBD
分子名称: DIMETHYL SULFOXIDE, N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL)SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6-AMINE, NUCLEAR RECEPTOR COACTIVATOR 2, ...
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 (1.54 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
5APK
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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
3K7R
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Crystal structure of [TM][CuAtx1]3
分子名称: COPPER (II) ION, D-MALATE, Metal homeostasis factor ATX1, ...
著者Xue, Y, Alvarez, H.M, Robinson, C.D, Mondragon, A, O'Halloran, T.V.
登録日2009-10-13
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Tetrathiomolybdate inhibits copper trafficking proteins through metal cluster formation.
Science, 327, 2010
5A86
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Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist
分子名称: 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide, NUCLEAR RECEPTOR COACTIVATOR 1, NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2
著者Xue, Y, Oster, L.
登録日2015-07-13
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity.
J.Med.Chem., 58, 2015
5BN0
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BU of 5bn0 by Molmil
A new HIV fusion peptide inhibitor
分子名称: Envelope glycoprotein, Envelope glycoprotein gp160
著者Xue, Y.
登録日2015-05-25
公開日2016-05-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A new HIV fusion peptide inhibitor
To Be Published
5L7E
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MCR IN COMPLEX WITH ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Edman, K, Aagaard, A, Backstrom, S, Xue, Y.
登録日2016-06-03
公開日2016-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
5L7G
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MCR IN COMPLEX WITH ligand
分子名称: 1,2-ETHANEDIOL, Mineralocorticoid receptor, NCOA1 peptide, ...
著者Edman, K, Aagaard, A, Backstrom, S, Xue, Y.
登録日2016-06-03
公開日2016-12-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
3CIV
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BU of 3civ by Molmil
Crystal structure of the endo-beta-1,4-mannanase from Alicyclobacillus acidocaldarius
分子名称: Endo-beta-1,4-mannanase
著者Ma, Y, Zhang, Y, Xue, Y.
登録日2008-03-12
公開日2008-08-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and Structural Characterization of the Intracellular Mannanase AaManA of Alicyclobacillus acidocaldarius Reveals a Novel Glycoside Hydrolase Family Belonging to Clan GH-A
J.Biol.Chem., 283, 2008
1SPI
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BU of 1spi by Molmil
CRYSTAL STRUCTURE OF SPINACH CHLOROPLAST FRUCTOSE-1,6-BISPHOSPHATASE AT 2.8 ANGSTROMS RESOLUTION
分子名称: FRUCTOSE 1,6-BISPHOSPHATASE
著者Villeret, V, Huang, S, Zhang, Y, Xue, Y, Lipscomb, W.N.
登録日1994-12-14
公開日1995-02-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of spinach chloroplast fructose-1,6-bisphosphatase at 2.8 A resolution.
Biochemistry, 34, 1995
1FNK
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CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S
分子名称: PROTEIN (CHORISMATE MUTASE)
著者Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D.
登録日2000-08-22
公開日2000-10-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
1FNJ
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CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K
分子名称: PROTEIN (CHORISMATE MUTASE)
著者Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D.
登録日2000-08-22
公開日2000-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
1GR7
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Crystal structure of the double mutant Cys3Ser/Ser100Pro from Pseudomonas Aeruginosa at 1.8 A resolution
分子名称: AZURIN, COPPER (II) ION
著者Okvist, M, Bonander, N, Sandberg, A, Karlsson, B.G, Krengel, U, Xue, Y, Sjolin, L.
登録日2001-12-14
公開日2002-05-16
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the double azurin mutant Cys3Ser/Ser100Pro from Pseudomonas aeruginosa at 1.8 A resolution: its folding-unfolding energy and unfolding kinetics.
Biochim.Biophys.Acta, 1596, 2002
6PT0
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BU of 6pt0 by Molmil
Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2
分子名称: CHOLESTEROL, Cannabinoid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Xu, T.H, Xing, C, Zhuang, Y, Feng, Z, Zhou, X.E, Chen, M, Wang, L, Meng, X, Xue, Y, Wang, J, Liu, H, McGuire, T, Zhao, G, Melcher, K, Zhang, C, Xu, H.E, Xie, X.Q.
登録日2019-07-14
公開日2020-02-12
最終更新日2020-03-04
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex.
Cell, 180, 2020
4X8J
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Crystal Structure of murine 12F4 Fab monoclonal antibody against ADAMTS5
分子名称: 12F4 FAB Heavy chain, 12F4 FAB Light chain, NONAETHYLENE GLYCOL, ...
著者Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J.
登録日2014-12-10
公開日2015-04-08
最終更新日2015-08-05
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification.
Osteoarthr. Cartil., 23, 2015
4X80
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Crystal Structure of murine 7B4 Fab monoclonal antibody against ADAMTS5
分子名称: IgG1 7B4 FAB Heavy chain, IgG1 7B4 FAB Light Chain
著者Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J.
登録日2014-12-09
公開日2015-04-08
最終更新日2015-08-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification.
Osteoarthr. Cartil., 23, 2015
1KOP
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NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE
分子名称: AZIDE ION, BETA-MERCAPTOETHANOL, CARBONIC ANHYDRASE, ...
著者Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H.
登録日1998-03-22
公開日1998-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
J.Mol.Biol., 283, 1998
1KOQ
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NEISSERIA GONORRHOEAE CARBONIC ANHYDRASE
分子名称: CARBONIC ANHYDRASE, ZINC ION
著者Huang, S, Xue, Y, Chirica, L, Lindskog, S, Jonsson, B.-H.
登録日1998-03-22
公開日1998-12-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
J.Mol.Biol., 283, 1998
1M61
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Crystal structure of the apo SH2 domains of ZAP-70
分子名称: PHOSPHATE ION, TYROSINE-PROTEIN KINASE ZAP-70
著者Folmer, R.H.A, Geschwindner, S, Xue, Y.
登録日2002-07-11
公開日2003-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and NMR studies of the apo SH2 domains of ZAP-70: two bikes rather than a tandem
Biochemistry, 41, 2002
1MX9
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Crystal Structure of Human Liver Carboxylesterase in complexed with naloxone methiodide, a heroin analogue
分子名称: (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, liver Carboxylesterase I
著者Bencharit, S, Morton, C.L, Xue, Y, Potter, P.M, Redinbo, M.R.
登録日2002-10-01
公開日2003-04-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of Heroin and Cocaine Metabolism by a Promiscuous Human Drug-Processing Enzyme
Nat.Struct.Biol., 10, 2003
1MZZ
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Crystal Structure of Mutant (M182T)of Nitrite Reductase
分子名称: COPPER (II) ION, Copper-containing nitrite reductase
著者Guo, H, Olesen, K, Xue, Y, Shapliegh, J, Sjolin, L.
登録日2002-10-10
公開日2004-09-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The High resolution Crystal Structures of Nitrite Reductase and its mutant Met182Thr from Rhodobacter Sphaeroides Reveal a Gating Mechanism for the Electron Transfer to the Type 1 Copper Center
To be Published

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