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PDB: 130 件
1QS4
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Core domain of HIV-1 integrase complexed with Mg++ and 1-(5-chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone
分子名称: 1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE, MAGNESIUM ION, PROTEIN (HIV-1 INTEGRASE (E.C.2.7.7.49))
著者Goldgur, Y, Craigie, R, Fujiwara, T, Yoshinaga, T, Davies, D.R.
登録日1999-06-25
公開日1999-11-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design.
Proc.Natl.Acad.Sci.USA, 96, 1999
3CIG
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Crystal structure of mouse TLR3 ectodomain
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R.
登録日2008-03-11
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural basis of toll-like receptor 3 signaling with double-stranded RNA.
Science, 320, 2008
2TGI
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BU of 2tgi by Molmil
CRYSTAL STRUCTURE OF TRANSFORMING GROWTH FACTOR-BETA2: AN UNUSUAL FOLD FOR THE SUPERFAMILY
分子名称: TRANSFORMING GROWTH FACTOR ,BETA 2
著者Daopin, S, Davies, D.R.
登録日1993-10-20
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of transforming growth factor-beta 2: an unusual fold for the superfamily.
Science, 257, 1992
1DHS
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BU of 1dhs by Molmil
CRYSTAL STRUCTURE OF THE NAD COMPLEX OF HUMAN DEOXYHYPUSINE SYNTHASE
分子名称: DEOXYHYPUSINE SYNTHASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Liao, D.-I, Davies, D.R.
登録日1997-10-28
公開日1998-02-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the NAD complex of human deoxyhypusine synthase: an enzyme with a ball-and-chain mechanism for blocking the active site.
Structure, 6, 1998
3FH5
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Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
分子名称: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-08
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH8
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Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
分子名称: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-09
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3CIY
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BU of 3ciy by Molmil
Mouse Toll-like receptor 3 ectodomain complexed with double-stranded RNA
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R.
登録日2008-03-12
公開日2008-05-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Structural basis of toll-like receptor 3 signaling with double-stranded RNA.
Science, 320, 2008
3FHE
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Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine.
分子名称: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-09
公開日2010-01-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH7
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Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
分子名称: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate, ACETATE ION, GLYCEROL, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-08
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
著者Dranow, D.M, Davies, D.R.
登録日2019-08-01
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
1BQL
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BU of 1bql by Molmil
STRUCTURE OF AN ANTI-HEL FAB FRAGMENT COMPLEXED WITH BOBWHITE QUAIL LYSOZYME
分子名称: BOBWHITE QUAIL LYSOZYME, HYHEL-5 FAB (HEAVY CHAIN), HYHEL-5 FAB (LIGHT CHAIN)
著者Chacko, S, Davies, D.R.
登録日1995-02-03
公開日1995-04-20
最終更新日2017-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
2TRS
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BU of 2trs by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
分子名称: INDOLE-3-PROPANOL PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ...
著者Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
登録日1997-01-07
公開日1997-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
2TSY
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BU of 2tsy by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
分子名称: SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ...
著者Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
登録日1997-01-03
公開日1997-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
2TYS
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BU of 2tys by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
分子名称: SODIUM ION, TRYPTOPHAN SYNTHASE, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
著者Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
登録日1997-01-08
公開日1997-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
1BIS
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BU of 1bis by Molmil
HIV-1 INTEGRASE CORE DOMAIN
分子名称: HIV-1 INTEGRASE
著者Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
登録日1998-06-19
公開日1998-08-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
1BIZ
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BU of 1biz by Molmil
HIV-1 INTEGRASE CORE DOMAIN
分子名称: CACODYLATE ION, HIV-1 INTEGRASE
著者Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
登録日1998-06-21
公開日1998-08-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
1AER
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BU of 1aer by Molmil
DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH BETA-TAD
分子名称: 2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZOLE, ADENOSINE MONOPHOSPHATE, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ...
著者Li, M, Dyda, F, Benhar, I, Pastan, I, Davies, D.R.
登録日1995-12-11
公開日1996-06-10
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the catalytic domain of Pseudomonas exotoxin A complexed with a nicotinamide adenine dinucleotide analog: implications for the activation process and for ADP ribosylation
Proc.Natl.Acad.Sci.USA, 93, 1996
1BIU
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BU of 1biu by Molmil
HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++
分子名称: HIV-1 INTEGRASE, MAGNESIUM ION
著者Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R.
登録日1998-06-19
公開日1998-08-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
1D3R
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BU of 1d3r by Molmil
CRYSTAL STRUCTURE OF TRIPLEX DNA
分子名称: DNA (5'-D(*CP*(BRU)P*CP*CP*(BRU)P*CP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*CP*GP*GP*AP*G)-3')
著者Rhee, S, Han, Z.-J, Liu, K, Todd Miles, H.T, Davies, D.R.
登録日1999-09-30
公開日2000-01-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of a triple helical DNA with a triplex-duplex junction.
Biochemistry, 38, 1999
1BEU
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TRP SYNTHASE (D60N-IPP-SER) WITH K+
分子名称: INDOLE-3-PROPANOL PHOSPHATE, POTASSIUM ION, TRYPTOPHAN SYNTHASE, ...
著者Rhee, S, Mozzarelli, A, Miles, E.W, Davies, D.R.
登録日1998-05-18
公開日1998-08-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cryocrystallography and microspectrophotometry of a mutant (alpha D60N) tryptophan synthase alpha 2 beta 2 complex reveals allosteric roles of alpha Asp60.
Biochemistry, 37, 1998
1A30
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HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR
分子名称: HIV-1 PROTEASE, TRIPEPTIDE GLU-ASP-LEU
著者Louis, J.M, Dyda, F, Nashed, N.T, Kimmel, A.R, Davies, D.R.
登録日1998-01-27
公開日1998-04-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Hydrophilic peptides derived from the transframe region of Gag-Pol inhibit the HIV-1 protease.
Biochemistry, 37, 1998
1A5B
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BU of 1a5b by Molmil
CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHA D60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49
分子名称: INDOLE-3-GLYCEROL PHOSPHATE, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Rhee, S, Miles, E.W, Davies, D.R.
登録日1998-02-12
公開日1998-05-27
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49.
J.Biol.Chem., 273, 1998
7MFC
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Crystal structure of CSF1R in complex with vimseltinib
分子名称: Macrophage colony-stimulating factor 1 receptor, Vimseltinib
著者Abendroth, J, Davies, D.R, Atkins, K.
登録日2021-04-08
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Vimseltinib: A Precision CSF1R Therapy for Tenosynovial Giant Cell Tumors and Diseases Promoted by Macrophages.
Mol.Cancer Ther., 20, 2021
1A5A
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BU of 1a5a by Molmil
CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49
分子名称: POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE (ALPHA CHAIN), ...
著者Rhee, S, Miles, E.W, Davies, D.R.
登録日1998-02-12
公開日1998-05-27
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49.
J.Biol.Chem., 273, 1998
1CI4
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THE CRYSTAL STRUCTURE OF HUMAN BARRIER-TO-AUTOINTEGRATION FACTOR (BAF)
分子名称: PROTEIN (BARRIER-TO-AUTOINTEGRATION FACTOR (BAF))
著者Umland, T.C, Wei, S.-Q, Craigie, R, Davies, D.R.
登録日1999-04-07
公開日2000-08-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis of DNA bridging by barrier-to-autointegration factor.
Biochemistry, 39, 2000

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