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PDB: 197 件
1CAK
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BU of 1cak by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993
1CAJ
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BU of 1caj by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993
1CAM
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BU of 1cam by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: BICARBONATE ION, CARBONIC ANHYDRASE II, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993
1CAI
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BU of 1cai by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993
1CAL
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BU of 1cal by Molmil
STRUCTURAL ANALYSIS OF THE ZINC HYDROXIDE-THR 199-GLU 106 HYDROGEN BONDING NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Xue, Y, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-17
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of the zinc hydroxide-Thr-199-Glu-106 hydrogen-bond network in human carbonic anhydrase II.
Proteins, 17, 1993
2PKS
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BU of 2pks by Molmil
Thrombin in complex with inhibitor
分子名称: 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ...
著者Xue, Y.
登録日2007-04-18
公開日2008-04-22
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold.
Org.Biomol.Chem., 5, 2007
2VB2
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BU of 2vb2 by Molmil
Crystal structure of Cu(I)CusF
分子名称: CATION EFFLUX SYSTEM PROTEIN CUSF, COPPER (II) ION, SULFATE ION
著者Xue, Y, Davis, A.V, Balakrishnan, G, Stasser, J.P, Staehlin, B.M, Focia, P, Spiro, T.G, Penner-Hahn, J.E, O'Halloran, T.V.
登録日2007-09-06
公開日2007-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cu(I) Recognition Via Cation-Pi and Methionine Interactions in Cusf.
Nat.Chem.Biol., 4, 2008
2VB3
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Crystal structure of Ag(I)CusF
分子名称: CATION EFFLUX SYSTEM PROTEIN CUSF, SILVER ION
著者Xue, Y, Davis, A.V, Balakrishnan, G, Stasser, J.P, Staehlin, B.M, Focia, P, Spiro, T.G, Penner-Hahn, J.E, O'Halloran, T.V.
登録日2007-09-06
公開日2007-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Cu(I) Recognition Via Cation-Pi and Methionine Interactions in Cusf.
Nat.Chem.Biol., 4, 2008
7OFI
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BU of 7ofi by Molmil
Ligand complex of RORg LBD
分子名称: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2021-05-05
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
7OFK
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Ligand complex of RORg LBD
分子名称: (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2021-05-05
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
3BG8
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BU of 3bg8 by Molmil
Crystal structure of Factor XIa in complex with Clavatadine A
分子名称: BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ...
著者Xue, Y, Oster, L.
登録日2007-11-26
公開日2008-12-09
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.
J.Med.Chem., 51, 2008
6RFJ
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BU of 6rfj by Molmil
IRAK4 IN COMPLEX WITH inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2019-04-15
公開日2019-10-30
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
6RFI
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IRAK4 IN COMPLEX WITH inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2019-04-15
公開日2019-10-30
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
J.Med.Chem., 62, 2019
6F3G
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IRAK4 IN COMPLEX WITH inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2017-11-28
公開日2018-05-23
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
6F3D
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IRAK4 IN COMPLEX WITH inhibitor
分子名称: 4-[4-[[4-(dimethylamino)cyclohexyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]cyclohexane-1-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2017-11-28
公開日2018-05-23
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
6F3I
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IRAK4 IN COMPLEX WITH inhibitor
分子名称: (3~{R})-3-[4-[[4-(4-ethanoylpiperazin-1-yl)cyclohexyl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]butanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2017-11-28
公開日2018-05-23
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
6F3E
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IRAK4 IN COMPLEX WITH inhibitor
分子名称: 2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D.
登録日2017-11-28
公開日2018-05-23
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
4BTK
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TTBK1 in complex with inhibitor
分子名称: 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, DIMETHYL SULFOXIDE, TAU-TUBULIN KINASE 1
著者Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
登録日2013-06-18
公開日2013-09-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
4BTM
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TTBK1 in complex with inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ...
著者Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
登録日2013-06-18
公開日2013-09-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
4BTJ
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TTBK1 in complex with ATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
著者Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N.
登録日2013-06-18
公開日2013-09-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors.
Chemmedchem, 8, 2013
4H1D
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Cocrystal structure of GlpG and DFP
分子名称: DIISOPROPYL PHOSPHONATE, Rhomboid protease GlpG
著者Xue, Y, Ha, Y.
登録日2012-09-10
公開日2013-05-01
最終更新日2013-06-26
実験手法X-RAY DIFFRACTION (2.8975 Å)
主引用文献Large lateral movement of transmembrane helix s5 is not required for substrate access to the active site of rhomboid intramembrane protease.
J.Biol.Chem., 288, 2013
3Q7G
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Crystal Structure of E2 domain of Human Amyloid Precursor-Like Protein 1 in complex with SOS (sucrose octasulfate)
分子名称: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Amyloid-like protein 1
著者Xue, Y, Ha, Y.
登録日2011-01-04
公開日2011-06-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the E2 Domain of Amyloid Precursor Protein-like Protein 1 in Complex with Sucrose Octasulfate.
J.Biol.Chem., 286, 2011
3Q7L
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Crystal structure of the E2 domain of amyloid precursor-like protein 1
分子名称: Amyloid-like protein 1, SULFATE ION
著者Xue, Y, Ha, Y.
登録日2011-01-05
公開日2011-06-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the E2 Domain of Amyloid Precursor Protein-like Protein 1 in Complex with Sucrose Octasulfate.
J.Biol.Chem., 286, 2011
3UBB
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BU of 3ubb by Molmil
The crystal structure of GlpG in complex with a phosphonofluoridate inhibitor
分子名称: Rhomboid protease glpG, propan-2-yl hydrogen (S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}ethyl]phosphonate
著者Xue, Y, Ha, Y.
登録日2011-10-24
公開日2012-06-13
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Conformational Change in Rhomboid Protease GlpG Induced by Inhibitor Binding to Its S' Subsites.
Biochemistry, 51, 2012
3QMK
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Crystal structure of the E2 domain of APLP1 in complex with heparin hexasaccharide
分子名称: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Amyloid-like protein 1, SULFATE ION
著者Xue, Y, Ha, Y.
登録日2011-02-04
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of amyloid precursor-like protein 1 and heparin complex suggests a dual role of heparin in E2 dimerization.
Proc.Natl.Acad.Sci.USA, 108, 2011

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