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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
2B2X
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BU of 2b2x by Molmil
VLA1 RdeltaH I-domain complexed with a quadruple mutant of the AQC2 Fab
Descriptor: Antibody AQC2 Fab, Integrin alpha-1, MAGNESIUM ION
Authors:Clark, L.A, Boriack-Sjodin, P.A, Eldredge, J, Fitch, C, Friedman, B, Hanf, K.J, Jarpe, M, Liparoto, S.F, Li, Y, Lugovskoy, A.
Deposit date:2005-09-19
Release date:2006-04-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design
Protein Sci., 15, 2006
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
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
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
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
1SHU
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Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor
Descriptor: Anthrax toxin receptor 2, MAGNESIUM ION
Authors:Lacy, D.B, Wigelsworth, D.J, Scobie, H.M, Young, J.A.T, Collier, R.J.
Deposit date:2004-02-26
Release date:2004-04-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the von Willebrand factor A domain of human capillary morphogenesis protein 2: an anthrax toxin receptor
Proc.Natl.Acad.Sci.USA, 101, 2004
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
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
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
1BHQ
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BU of 1bhq by Molmil
MAC-1 I DOMAIN CADMIUM COMPLEX
Descriptor: ACETYL GROUP, CADMIUM ION, CD11B
Authors:Baldwin, E.T.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1BHO
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BU of 1bho by Molmil
MAC-1 I DOMAIN MAGNESIUM COMPLEX
Descriptor: CD11B, MAGNESIUM ION
Authors:Baldwin, E.T.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cation binding to the integrin CD11b I domain and activation model assessment
Structure, 6, 1998
1QCY
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BU of 1qcy by Molmil
THE CRYSTAL STRUCTURE OF THE I-DOMAIN OF HUMAN INTEGRIN ALPHA1BETA1
Descriptor: I-DOMAIN OF INTEGRIN ALPHA1BETA1, MAGNESIUM ION
Authors:Kankare, J.A, Salminen, T.A, Nymalm, Y, Kaepylae, J, Heino, J, Johnson, M.S.
Deposit date:1999-05-12
Release date:2003-09-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Jararhagin-derived RKKH Peptides Induce Structural Changes in a1I Domain of Human Integrin a1b1
J.Biol.Chem., 279, 2004
1QC5
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BU of 1qc5 by Molmil
I Domain from Integrin Alpha1-Beta1
Descriptor: MAGNESIUM ION, PROTEIN (ALPHA1 BETA1 INTEGRIN)
Authors:Deivanayagam, C.C, Narayana, S.V.
Deposit date:1999-05-17
Release date:2000-05-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Trench-shaped binding sites promote multiple classes of interactions between collagen and the adherence receptors, alpha(1)beta(1) integrin and Staphylococcus aureus cna MSCRAMM.
J.Biol.Chem., 274, 1999
1AO3
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BU of 1ao3 by Molmil
A3 DOMAIN OF VON WILLEBRAND FACTOR
Descriptor: VON WILLEBRAND FACTOR
Authors:Bienkowski, J, Cruz, M, Handin, R, Liddington, R.
Deposit date:1997-07-16
Release date:1998-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The von willebrand factor A3 domain does not contain a metal ion-dependent adhesion site motif.
J.Biol.Chem., 272, 1997
1CQP
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BU of 1cqp by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE COMPLEX LFA-1 (CD11A) I-DOMAIN / LOVASTATIN AT 2.6 A RESOLUTION
Descriptor: ANTIGEN CD11A (P180), LOVASTATIN, MAGNESIUM ION
Authors:Kallen, J, Welzenbach, K, Ramage, P, Geyl, D, Kriwacki, R, Legge, G, Cottens, S, Weitz-Schmidt, G, Hommel, U.
Deposit date:1999-08-10
Release date:2000-08-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for LFA-1 inhibition upon lovastatin binding to the CD11a I-domain.
J.Mol.Biol., 292, 1999
1PT6
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BU of 1pt6 by Molmil
I domain from human integrin alpha1-beta1
Descriptor: GLYCEROL, Integrin alpha-1, MAGNESIUM ION
Authors:Nymalm, Y, Puranen, J.S, Nyholm, T.K.M, Kapyla, J, Kidron, H, Pentikainen, O, Airenne, T.T, Heino, J, Slotte, J.P, Johnson, M.S, Salminen, T.A.
Deposit date:2003-06-23
Release date:2004-04-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Jararhagin-derived RKKH peptides induce structural changes in alpha1I domain of human integrin alpha1beta1.
J.Biol.Chem., 279, 2004
1RD4
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BU of 1rd4 by Molmil
An allosteric inhibitor of LFA-1 bound to its I-domain
Descriptor: 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE, Integrin alpha-L
Authors:Crump, M.P, Ceska, T.A, Spyracopoulos, L, Henry, A, Archibald, S.C, Alexander, R, Taylor, R.J, Findlow, S.C, O'Connell, J, Robinson, M.K, Shock, A.
Deposit date:2003-11-05
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of an allosteric inhibitor of LFA-1 bound to the I-domain studied by crystallography, NMR, and calorimetry
Biochemistry, 43, 2004
1ATZ
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BU of 1atz by Molmil
HUMAN VON WILLEBRAND FACTOR A3 DOMAIN
Descriptor: VON WILLEBRAND FACTOR
Authors:Huizinga, E.G, Gros, P.
Deposit date:1997-08-15
Release date:1998-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the A3 domain of human von Willebrand factor: implications for collagen binding.
Structure, 5, 1997
1AOX
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BU of 1aox by Molmil
I DOMAIN FROM INTEGRIN ALPHA2-BETA1
Descriptor: INTEGRIN ALPHA 2 BETA, MAGNESIUM ION
Authors:Emsley, J, King, S.L, Bergelson, J.M, Liddington, R.C.
Deposit date:1997-07-13
Release date:1998-11-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the I domain from integrin alpha2beta1.
J.Biol.Chem., 272, 1997
1DGQ
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BU of 1dgq by Molmil
NMR SOLUTION STRUCTURE OF THE INSERTED DOMAIN OF HUMAN LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1
Descriptor: LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1
Authors:Legge, G.B, Kriwacki, R.W, Chung, J, Hommel, U, Ramage, P, Case, D.A, Dyson, H.J, Wright, P.E.
Deposit date:1999-11-24
Release date:2000-02-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure of the inserted domain of human leukocyte function associated antigen-1.
J.Mol.Biol., 295, 2000
1AUQ
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BU of 1auq by Molmil
A1 DOMAIN OF VON WILLEBRAND FACTOR
Descriptor: A1 DOMAIN OF VON WILLEBRAND FACTOR, CADMIUM ION
Authors:Emsley, J, Cruz, M, Handin, R, Liddington, R.
Deposit date:1997-09-01
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the von Willebrand Factor A1 domain and implications for the binding of platelet glycoprotein Ib.
J.Biol.Chem., 273, 1998
1DZI
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BU of 1dzi by Molmil
integrin alpha2 I domain / collagen complex
Descriptor: COBALT (II) ION, COLLAGEN, INTEGRIN
Authors:Emsley, j, Knight, G, Farndale, R, Barnes, M, Liddington, R.
Deposit date:2000-03-01
Release date:2001-03-01
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Collagen Recognition by Integrin Alpha2Beta1
Cell(Cambridge,Mass.), 101, 2000

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