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PDB: 207 件
4BTM
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BU of 4btm by Molmil
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
3K7R
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BU of 3k7r by Molmil
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
3DA9
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BU of 3da9 by Molmil
Crystal structure of thrombin in complex with inhibitor
分子名称: Hirudin peptide, SODIUM ION, Thrombin heavy chain, ...
著者Xue, Y, Hansson, S.K.
登録日2008-05-29
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Compounds binding to the S2-S3 pockets of thrombin.
J.Med.Chem., 52, 2009
5G42
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BU of 5g42 by Molmil
Ligand complex of RORg LBD
分子名称: 5-chloranyl-2,3-dihydroindole-1-carboxamide, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
5G45
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BU of 5g45 by Molmil
Ligand complex of RORg LBD
分子名称: 8-AMINO-3-QUINOLINOL, DIMETHYL SULFOXIDE, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
3Q7G
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BU of 3q7g by Molmil
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
1BIC
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BU of 1bic by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF THR-200-> HIS HUMAN CARBONIC ANHYDRASE II AND ITS COMPLEX WITH THE SUBSTRATE, HCO3-
分子名称: BICARBONATE ION, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ...
著者Xue, Y, Vidgren, J, Svensson, L.A, Liljas, A, Jonsson, B.-H, Lindskog, S.
登録日1992-09-01
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Crystallographic analysis of Thr-200-->His human carbonic anhydrase II and its complex with the substrate, HCO3-.
Proteins, 15, 1993
5G43
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BU of 5g43 by Molmil
Ligand complex of RORg LBD
分子名称: 2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE, NUCLEAR RECEPTOR ROR-GAMMA, RORG
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
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
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
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
1AG6
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BU of 1ag6 by Molmil
PLASTOCYANIN FROM SPINACH
分子名称: COPPER (II) ION, PLASTOCYANIN
著者Xue, Y, Okvist, M, Young, S.
登録日1997-04-02
公開日1998-10-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of spinach plastocyanin at 1.7 A resolution.
Protein Sci., 7, 1998
5G46
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BU of 5g46 by Molmil
Ligand complex of RORg LBD
分子名称: 2-ETHYL-4(1H)-QUINOLINONE, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
5G44
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BU of 5g44 by Molmil
Ligand complex of RORg LBD
分子名称: (4-pyrimidin-5-ylphenyl)methanol, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, ...
著者Xue, Y, Guo, H, Hillertz, P.
登録日2016-05-04
公開日2016-08-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments.
Chemmedchem, 11, 2016
1A7C
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BU of 1a7c by Molmil
HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAPEPTIDE, ...
著者Xue, Y, Inghardt, T, Sjolin, L, Deinum, J.
登録日1998-03-12
公開日1999-03-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide
Structure, 6, 1998
3Q7L
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BU of 3q7l by Molmil
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
2BDY
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BU of 2bdy by Molmil
thrombin in complex with inhibitor
分子名称: Hirudin IIIB', N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE, SODIUM ION, ...
著者Xue, Y.
登録日2005-10-21
公開日2006-10-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure.
Bioorg.Med.Chem.Lett., 16, 2006
2EXC
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BU of 2exc by Molmil
Inhibitor complex of JNK3
分子名称: Mitogen-activated protein kinase 10, N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'-BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE
著者Xue, Y.
登録日2005-11-08
公開日2006-11-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Inhibitor complex of JNK3
To be Published
3QMK
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BU of 3qmk by Molmil
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
3PZE
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BU of 3pze by Molmil
JNK1 in complex with inhibitor
分子名称: 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide, Mitogen-activated protein kinase 8, SULFATE ION
著者Xue, Y.
登録日2010-12-14
公開日2011-12-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2JFX
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BU of 2jfx by Molmil
Crystal structure of Helicobacter pylori glutamate racemase in complex with D-Glutamate
分子名称: D-GLUTAMIC ACID, GLUTAMATE RACEMASE
著者Xue, Y, Lundqvist, T.
登録日2007-02-06
公開日2007-07-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploitation of Structural and Regulatory Diversity in Glutamate Racemases
Nature, 447, 2007
4A5T
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BU of 4a5t by Molmil
STRUCTURAL BASIS FOR THE CONFORMATIONAL MODULATION
分子名称: CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, PLASMINOGEN
著者Xue, Y, Bodin, C, Olsson, K.
登録日2011-10-28
公開日2012-05-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Crystal Structure of the Native Plasminogen Reveals an Activation-Resistant Compact Conformation.
J. Thromb. Haemost., 10, 2012
4BAM
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BU of 4bam by Molmil
Thrombin in complex with inhibitor
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-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 (1.88 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013

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