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6SNK
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BU of 6snk by Molmil
Crystal structure of the Collagen VI alpha3 N2 domain
Descriptor: Collagen alpha-3(VI) chain
Authors:Gebauer, J.M, Degefa, H.S, Paulsson, M, Wagener, R, Baumann, U.
Deposit date:2019-08-26
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a collagen VI alpha 3 chain VWA domain array: adaptability and functional implications of myopathy causing mutations.
J.Biol.Chem., 295, 2020
6ADR
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BU of 6adr by Molmil
Anthrax Toxin Receptor 1-bound the Seneca Valley Virus in neutral conditions
Descriptor: Anthrax toxin receptor 1, MAGNESIUM ION, VP1, ...
Authors:Lou, Z.Y, Cao, L.
Deposit date:2018-08-02
Release date:2019-02-06
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Seneca Valley virus attachment and uncoating mediated by its receptor anthrax toxin receptor 1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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
Descriptor: 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
Authors:Sheriff, S.
Deposit date:2010-03-15
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
3BQN
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BU of 3bqn by Molmil
LFA-1 I domain bound to inhibitors
Descriptor: 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine, Integrin alpha-L
Authors:Silvian, L.F.
Deposit date:2007-12-20
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3N2N
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BU of 3n2n by Molmil
The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain
Descriptor: ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION
Authors:Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H.
Deposit date:2010-05-18
Release date:2011-01-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
3BQM
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BU of 3bqm by Molmil
LFA-1 I domain bound to inhibitors
Descriptor: 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline, Integrin alpha-L
Authors:Silvian, L.F.
Deposit date:2007-12-20
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
4HQK
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BU of 4hqk by Molmil
Crystal structure of Plasmodium falciparum TRAP, P4212 form
Descriptor: SULFATE ION, Thrombospondin-related anonymous protein, TRAP
Authors:Song, G, Koksal, A.C, Lu, C, Springer, T.A.
Deposit date:2012-10-25
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Shape change in the receptor for gliding motility in Plasmodium sporozoites.
Proc.Natl.Acad.Sci.USA, 109, 2012
4IHK
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BU of 4ihk by Molmil
Crystal structure of the Collagen VI alpha3 N5 domain R1061Q
Descriptor: Collagen alpha3(VI)
Authors:Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M.
Deposit date:2012-12-19
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein
Structure, 22, 2014
4IGI
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BU of 4igi by Molmil
Crystal structure of the Collagen VI alpha3 N5 domain
Descriptor: Collagen alpha3(VI)
Authors:Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M.
Deposit date:2012-12-17
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein
Structure, 22, 2014
3PPV
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BU of 3ppv by Molmil
Crystal structure of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: CALCIUM ION, SULFATE ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3PPX
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BU of 3ppx by Molmil
Crystal structure of the N1602A mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
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
Descriptor: 4-(3-{4-[(3-aminopropyl)carbamoyl]phenyl}-1H-indazol-1-yl)-N-methylbenzamide, Integrin alpha-L, MAGNESIUM ION
Authors:Kallen, J.
Deposit date:2013-01-25
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and x-ray structure based investigation of an ICAM-1 binding enhancing small molecule activator of LFA-1
To be Published, 2013
3Q3G
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BU of 3q3g by Molmil
Crystal Structure of A-domain in complex with antibody
Descriptor: 1,2-ETHANEDIOL, Antibody Heavy chain, Antibody Light Chain, ...
Authors:Mahalingam, B, Xiong, J.P, Arnaout, M.A.
Deposit date:2010-12-21
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stable Coordination of the Inhibitory Ca2+ Ion at the Metal Ion-Dependent Adhesion Site in Integrin CD11b/CD18 by an Antibody-Derived Ligand Aspartate: Implications for Integrin Regulation and Structure-Based Drug Design.
J.Immunol., 187, 2011
3PPW
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BU of 3ppw by Molmil
Crystal structure of the D1596A mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3E2M
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BU of 3e2m by Molmil
LFA-1 I domain bound to inhibitors
Descriptor: 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
Authors:Silvian, L.F.
Deposit date:2008-08-05
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
4JDU
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BU of 4jdu by Molmil
The crystal structure of an aerotolerance-related membrane protein from Bacteroides fragilis NCTC 9343 with multiple mutations to serines.
Descriptor: Aerotolerance-related membrane protein, CALCIUM ION, FORMIC ACID
Authors:Fan, Y, Tan, K, Bigelow, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-02-25
Release date:2013-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The crystal structure of an aerotolerance-related membrane protein from Bacteroides fragilis NCTC 9343 with multiple mutations to serines.
To be Published
3EOB
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BU of 3eob by Molmil
Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form II
Descriptor: Efalizumab Fab fragment, heavy chain, light chain, ...
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
3PPY
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BU of 3ppy by Molmil
Crystal structure of the D1596A/N1602A double mutant of an engineered VWF A2 domain (N1493C and C1670S)
Descriptor: SODIUM ION, von Willebrand factor
Authors:Zhou, M, Dong, X, Zhong, C, Ding, J.
Deposit date:2010-11-25
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13
Blood, 117, 2011
3EOA
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BU of 3eoa by Molmil
Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form I
Descriptor: Efalizumab Fab fragment, heavy chain, light chain, ...
Authors:Li, S, Ding, J.
Deposit date:2008-09-26
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
3QA3
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BU of 3qa3 by Molmil
Crystal Structure of A-domain in complex with antibody
Descriptor: 1,2-ETHANEDIOL, Antibody Heavy chain, Antibody Light chain, ...
Authors:Mahalingam, B, Xiong, J.P, Arnaout, M.A.
Deposit date:2011-01-10
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Stable Coordination of the Inhibitory Ca2+ Ion at the Metal Ion-Dependent Adhesion Site in Integrin CD11b/CD18 by an Antibody-Derived Ligand Aspartate: Implications for Integrin Regulation and Structure-Based Drug Design.
J.Immunol., 187, 2011
3F78
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BU of 3f78 by Molmil
Crystal structure of wild type LFA1 I domain complexed with isoflurane
Descriptor: 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, GLYCEROL, Integrin alpha-L, ...
Authors:Zhang, H, Wang, J.-H.
Deposit date:2008-11-07
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
3F74
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BU of 3f74 by Molmil
Crystal structure of wild type LFA1 I domain
Descriptor: GLYCEROL, Integrin alpha-L, MAGNESIUM ION
Authors:Zhang, H, Wang, J.-H.
Deposit date:2008-11-07
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
3RAG
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BU of 3rag by Molmil
Crystal Structure of Uncharacterized protein Aaci_0196 from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446
Descriptor: GLYCEROL, SODIUM ION, uncharacterized protein
Authors:Wu, R, Bedearn, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-28
Release date:2011-09-14
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Uncharacterized protein Aaci_0196 from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446
To be Published
3GXB
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BU of 3gxb by Molmil
Crystal structure of VWF A2 domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ...
Authors:Zhou, Y.F, Springer, T.A.
Deposit date:2009-04-02
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural specializations of A2, a force-sensing domain in the ultralarge vascular protein von Willebrand factor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HI6
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BU of 3hi6 by Molmil
Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57
Descriptor: Heavy chain of Fab fragment of AL-57 against alpha L I domain, Integrin alpha-L, MANGANESE (II) ION, ...
Authors:Zhang, H, Wang, J.
Deposit date:2009-05-19
Release date:2009-09-22
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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