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PDB: 41 件
1MJN
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Crystal Structure of the intermediate affinity aL I domain mutant
分子名称: Integrin alpha-L, MAGNESIUM ION
著者Shimaoka, M, Xiao, T, Liu, J.H, Yang, Y.T, Dong, Y.C, Jun, C.D, McCormack, A, Zhang, R.G, Wang, J.H, Springer, T.A.
登録日2002-08-28
公開日2003-01-28
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structures of the alphaL I Domain and its Complex with ICAM-1 reveal a Shape-shifting Pathway for Integrin Regulation
Cell(Cambridge,Mass.), 112, 2003
2ICA
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CD11a (LFA1) I-domain complexed with BMS-587101 aka 5-[(5S, 9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro [4.4]non-7-yl]methyl]-3-thiophenecarboxylicacid
分子名称: 5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO [4.4]NON-7-YL]METHYL]-3-THIOPHENECARBOXYLICACID, Integrin alpha-L
著者Sheriff, S, Einspahr, H.
登録日2006-09-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1.
J.Med.Chem., 49, 2006
3F78
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Crystal structure of wild type LFA1 I domain complexed with isoflurane
分子名称: 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, GLYCEROL, Integrin alpha-L, ...
著者Zhang, H, Wang, J.-H.
登録日2008-11-07
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems.
Faseb J., 23, 2009
1T0P
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BU of 1t0p by Molmil
Structural Basis of ICAM recognition by integrin alpahLbeta2 revealed in the complex structure of binding domains of ICAM-3 and alphaLbeta2 at 1.65 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-L, Intercellular adhesion molecule-3, ...
著者Song, G, Yang, Y.T, Liu, J.H, Shimaoko, M, Springer, T.A, Wang, J.H.
登録日2004-04-12
公開日2005-03-08
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献An atomic resolution view of ICAM recognition in a complex between the binding domains of ICAM-3 and integrin alphaLbeta2.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3F74
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Crystal structure of wild type LFA1 I domain
分子名称: GLYCEROL, Integrin alpha-L, MAGNESIUM ION
著者Zhang, H, Wang, J.-H.
登録日2008-11-07
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems.
Faseb J., 23, 2009
2O7N
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BU of 2o7n by Molmil
CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
分子名称: 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L
著者Sheriff, S.
登録日2006-12-11
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
4IXD
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BU of 4ixd by Molmil
X-ray structure of lfa-1 i-domain in complex with ibe-667 at 1.8a resolution
分子名称: 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide, Integrin alpha-L, MAGNESIUM ION
著者Kallen, J.
登録日2013-01-25
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification and x-ray structure based investigation of an ICAM-1 binding enhancing small molecule activator of LFA-1
To be Published, 2013
7KC3
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X-ray structure of Lfa-1 I domain collected at 273 K
分子名称: Integrin alpha-L, MAGNESIUM ION
著者Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
登録日2020-10-05
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
3BQN
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LFA-1 I domain bound to inhibitors
分子名称: 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine, Integrin alpha-L
著者Silvian, L.F.
登録日2007-12-20
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
1XUO
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BU of 1xuo by Molmil
X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution
分子名称: (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION
著者Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K.
登録日2004-10-26
公開日2005-10-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1
Bioorg.Med.Chem.Lett., 15, 2005
1LFA
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BU of 1lfa by Molmil
CD11A I-DOMAIN WITH BOUND MN++
分子名称: CD11A, CHLORIDE ION, MANGANESE (II) ION
著者Leahy, D.J, Qu, A.
登録日1995-09-08
公開日1996-01-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the I-domain from the CD11a/CD18 (LFA-1, alpha L beta 2) integrin.
Proc.Natl.Acad.Sci.USA, 92, 1995
3M6F
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BU of 3m6f by Molmil
CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID
分子名称: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION
著者Sheriff, S.
登録日2010-03-15
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
7KC6
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BU of 7kc6 by Molmil
X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K
分子名称: Integrin alpha-L, LOVASTATIN, MAGNESIUM ION
著者Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
登録日2020-10-05
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7KC5
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BU of 7kc5 by Molmil
X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K
分子名称: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, MAGNESIUM ION
著者Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
登録日2020-10-05
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
3BQM
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LFA-1 I domain bound to inhibitors
分子名称: 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline, Integrin alpha-L
著者Silvian, L.F.
登録日2007-12-20
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3E2M
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BU of 3e2m by Molmil
LFA-1 I domain bound to inhibitors
分子名称: Integrin alpha-L, cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid
著者Silvian, L.F.
登録日2008-08-05
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
1MQ9
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Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact
分子名称: Integrin alpha-L, MANGANESE (II) ION
著者Shimaoka, M, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, McCormack, A, Zhang, R, Joachimiak, A, Takagi, J, Wang, J.-H, Springer, T.A.
登録日2002-09-15
公開日2003-01-14
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Cell(Cambridge,Mass.), 112, 2003
1ZOP
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CD11A I-DOMAIN WITH BOUND MAGNESIUM ION
分子名称: CHLORIDE ION, I-DOMAIN FRAGMENT OF LFA-1, MANGANESE (II) ION
著者Leahy, D.J, Qu, A.
登録日1996-06-21
公開日1996-12-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of the divalent cation in the structure of the I domain from the CD11a/CD18 integrin.
Structure, 4, 1996
1ZON
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BU of 1zon by Molmil
CD11A I-DOMAIN WITHOUT BOUND CATION
分子名称: LEUKOCYTE ADHESION GLYCOPROTEIN
著者Leahy, D.J, Qu, A.
登録日1996-06-20
公開日1996-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The role of the divalent cation in the structure of the I domain from the CD11a/CD18 integrin.
Structure, 4, 1996
6BXJ
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BU of 6bxj by Molmil
Structure of a single-chain beta3 integrin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimera protein of Integrin beta-3 and Integrin alpha-L, MAGNESIUM ION
著者Thinn, A.M.M, Wang, Z, Zhou, D, Zhao, Y, Curtis, B.R, Zhu, J.
登録日2017-12-18
公開日2018-10-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献Autonomous conformational regulation of beta3integrin and the conformation-dependent property of HPA-1a alloantibodies.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3BN3
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BU of 3bn3 by Molmil
crystal structure of ICAM-5 in complex with aL I domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zhang, H, Springer, T.A, Wang, J.-h.
登録日2007-12-13
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献An unusual allosteric mobility of the C-terminal helix of a high-affinity alpha L integrin I domain variant bound to ICAM-5
Mol.Cell, 31, 2008
1XDG
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BU of 1xdg by Molmil
X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution
分子名称: (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-2-OXOETHYL]-2-OXO-1,3-OXAZINAN-6-YL}ETHYL)-3 ,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL (2R)-2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION
著者Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J.
登録日2004-09-06
公開日2004-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo
J.Biol.Chem., 279, 2004
5E6S
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BU of 5e6s by Molmil
Structures of leukocyte integrin aLB2: The aI domain, the headpiece, and the pocket for the internal ligand
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-L, ...
著者Springer, T.A, Sen, M.
登録日2015-10-10
公開日2016-03-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
1XDD
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BU of 1xdd by Molmil
X-ray structure of LFA-1 I-domain in complex with LFA703 at 2.2A resolution
分子名称: 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE, Integrin alpha-L, MAGNESIUM ION
著者Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J.
登録日2004-09-06
公開日2004-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Improved lymphocyte function-associated antigen-1 (LFA-1) inhibition by statin derivatives: molecular basis determined by x-ray analysis and monitoring of LFA-1 conformational changes in vitro and ex vivo
J.Biol.Chem., 279, 2004
3HI6
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Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57
分子名称: Heavy chain of Fab fragment of AL-57 against alpha L I domain, Integrin alpha-L, MANGANESE (II) ION, ...
著者Zhang, H, Wang, J.
登録日2009-05-19
公開日2009-09-22
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1.
Proc.Natl.Acad.Sci.USA, 106, 2009

 

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