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4DMU
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BU of 4dmu by Molmil
Crystal structure of the von Willebrand factor A3 domain in complex with a collagen III derived triple-helical peptide
Descriptor: Collagen III derived triple-helical peptide, SULFATE ION, von Willebrand factor
Authors:Brondijk, T.H.C, Huizinga, E.G.
Deposit date:2012-02-08
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Implications for collagen I chain registry from the structure of the collagen von Willebrand factor A3 domain complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
4F1J
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BU of 4f1j by Molmil
Crystal structure of the MG2+ loaded VWA domain of plasmodium falciparum trap protein
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Pihlajamaa, T, Knuuti, J, Kajander, T, Sharma, A, Permi, P.
Deposit date:2012-05-07
Release date:2013-01-30
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure of Plasmodium falciparum TRAP (thrombospondin-related anonymous protein) A domain highlights distinct features in apicomplexan von Willebrand factor A homologues.
Biochem.J., 450, 2013
4F1K
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BU of 4f1k by Molmil
Crystal structure of the MG2+ free VWA domain of plasmodium falciparum trap protein
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Pihlajamaa, T, Knuuti, J, Kajander, T, Sharma, A, Permi, P.
Deposit date:2012-05-07
Release date:2013-01-30
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of Plasmodium falciparum TRAP (thrombospondin-related anonymous protein) A domain highlights distinct features in apicomplexan von Willebrand factor A homologues.
Biochem.J., 450, 2013
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
3HXO
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BU of 3hxo by Molmil
Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer ARC1172, an Inhibitor of VWF-Platelet Binding
Descriptor: Aptamer ARC1172, von Willebrand factor
Authors:Huang, R.H, Sadler, J.E, Fremont, D.H, Diener, J.L, Schaub, R.G.
Deposit date:2009-06-21
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A structural explanation for the antithrombotic activity of ARC1172, a DNA aptamer that binds von Willebrand factor domain A1.
Structure, 17, 2009
3HXQ
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BU of 3hxq by Molmil
Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer ARC1172, an Inhibitor of VWF-Platelet Binding
Descriptor: Aptamer ARC1172, von Willebrand Factor
Authors:Huang, R.H, Sadler, J.E, Fremont, D.H, Diener, J.L, Schaub, R.G.
Deposit date:2009-06-21
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:A structural explanation for the antithrombotic activity of ARC1172, a DNA aptamer that binds von Willebrand factor domain A1.
Structure, 17, 2009
3IBS
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BU of 3ibs by Molmil
Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Hattne, J, Bearden, J, Borek, D, Nakka, C, Sather, A, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-16
Release date:2009-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of conserved hypothetical protein BatB from Bacteroides thetaiotaomicron
To be Published
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
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
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
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
Descriptor: (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
Authors:Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J.
Deposit date:2004-09-06
Release date:2004-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
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
Descriptor: 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
Authors:Weitz-Schmidt, G, Welzenbach, K, Dawson, J, Kallen, J.
Deposit date:2004-09-06
Release date:2004-09-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
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
Descriptor: (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
Authors:Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K.
Deposit date:2004-10-26
Release date:2005-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1
Bioorg.Med.Chem.Lett., 15, 2005
7F49
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BU of 7f49 by Molmil
von Willebrand factor (VWF) A1 domain with BT-100 aptamer RNA
Descriptor: BT-100, GLYCEROL, von Willebrand factor
Authors:Zhu, S.
Deposit date:2021-06-18
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The development and characterization of a long acting anti-thrombotic von Willebrand factor (VWF) aptamer
J Thromb Haemost., 18, 2020
7EOW
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BU of 7eow by Molmil
High-resolution structure of vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine
Descriptor: caplacizumab, von Willebrand factor
Authors:Lee, H.T, Heo, Y.-S.
Deposit date:2021-04-23
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution structure of the vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine for treating acquired TTP.
Biochem.Biophys.Res.Commun., 567, 2021
8CE9
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BU of 8ce9 by Molmil
Crystal structure of human Cd11b I domain in C121 space group
Descriptor: 1,2-ETHANEDIOL, Integrin alpha-M, SULFATE ION
Authors:Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K.
Deposit date:2023-02-01
Release date:2023-03-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of human Cd11b I domain in C121 space group
To Be Published
8CE6
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BU of 8ce6 by Molmil
Crystal structure of human Cd11b I domain in P212121 space group
Descriptor: CHLORIDE ION, GLYCEROL, Integrin alpha-M, ...
Authors:Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K.
Deposit date:2023-02-01
Release date:2023-03-22
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (1.582 Å)
Cite:Crystal structure of human Cd11b I domain in P212121 space group
To Be Published
7KC3
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BU of 7kc3 by Molmil
X-ray structure of Lfa-1 I domain collected at 273 K
Descriptor: Integrin alpha-L, MAGNESIUM ION
Authors: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.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
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, MAGNESIUM ION
Authors: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.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
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
Descriptor: Integrin alpha-L, LOVASTATIN, MAGNESIUM ION
Authors: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.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
1N3Y
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BU of 1n3y by Molmil
Crystal structure of the alpha-X beta2 integrin I domain
Descriptor: Integrin alpha-X
Authors:Vorup-Jensen, T, Ostermeier, C, Shimaoka, M, Hommel, U, Springer, T.A.
Deposit date:2002-10-30
Release date:2003-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and allosteric regulation of the alpha X beta 2 integrin I domain.
Proc.Natl.Acad.Sci.USA, 100, 2003
1N9Z
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BU of 1n9z by Molmil
INTEGRIN ALPHA M I DOMAIN MUTANT
Descriptor: Integrin alpha-M, MAGNESIUM ION
Authors:McCleverty, C.J, Liddington, R.C.
Deposit date:2002-11-26
Release date:2003-05-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered allosteric mutants of the integrin alphaMbeta2 I domain: structural and functional studies
Biochem.J., 372, 2003

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