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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
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
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
4XW2
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BU of 4xw2 by Molmil
Structural basis for simvastatin competitive antagonism of complement receptor 3
Descriptor: Integrin alpha-M, MAGNESIUM ION, Simvastatin acid
Authors:Bajic, G, Jensen, M.R, Vorup-Jensen, T, Andersen, G.R.
Deposit date:2015-01-28
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
4RCK
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BU of 4rck by Molmil
Crystal Structure of Uncharacterized Membrane Spanning Protein from Vibrio fischeri
Descriptor: Hypothetical membrane spanning protein, MAGNESIUM ION
Authors:Kim, Y, Tesar, C, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-09-16
Release date:2014-11-26
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Crystal Structure of Uncharacterized Membrane Spanning Protein from Vibrio fischeri
To be Published
7A6O
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BU of 7a6o by Molmil
Crystal Structure of the Complex of the Recombinant Von Willebrand Factor AIM-A1 domain and VHH81 at 2.1 Angstrom resolution
Descriptor: SULFATE ION, VHH81 Nanobody fragment, von Willebrand factor
Authors:Brown, A.K, Emsley, J.
Deposit date:2020-08-25
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Activation of von Willebrand factor via mechanical unfolding of its discontinuous autoinhibitory module.
Nat Commun, 12, 2021
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
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
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:2024-06-19
Method:X-RAY DIFFRACTION (1.582 Å)
Cite:Crystal structure of human Cd11b I domain in P212121 space group
To Be Published
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
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of human Cd11b I domain in C121 space group
To Be Published
4CN8
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BU of 4cn8 by Molmil
Structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus
Descriptor: 1,2-ETHANEDIOL, PROXIMAL THREAD MATRIX PROTEIN 1, SULFATE ION
Authors:Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
Deposit date:2014-01-21
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
4CNB
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BU of 4cnb by Molmil
Structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus - Crystal form 2
Descriptor: 1,2-ETHANEDIOL, PROXIMAL THREAD MATRIX PROTEIN 1, SULFATE ION
Authors:Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
Deposit date:2014-01-21
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
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
2ICA
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BU of 2ica by Molmil
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
Descriptor: 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
Authors:Sheriff, S, Einspahr, H.
Deposit date:2006-09-12
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
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
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
3TVY
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BU of 3tvy by Molmil
Structural Analysis of Adhesive Tip pilin, GBS104 from Group B Streptococcus agalactiae
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cell wall surface anchor family protein, MAGNESIUM ION
Authors:Krishnan, V, Narayana, S.V.L.
Deposit date:2011-09-21
Release date:2013-03-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions.
Acta Crystallogr.,Sect.D, 69, 2013
3TW0
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BU of 3tw0 by Molmil
Structural Analysis of Adhesive Tip pilin, GBS104 from Group B Streptococcus agalactiae
Descriptor: ACETATE ION, Cell wall surface anchor family protein, MAGNESIUM ION
Authors:Krishnan, V, Narayana, S.V.L.
Deposit date:2011-09-21
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Streptococcus agalactiae tip pilin GBS104: a model for GBS pili assembly and host interactions.
Acta Crystallogr.,Sect.D, 69, 2013
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
5HGJ
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BU of 5hgj by Molmil
Structure of integrin alpha1beta1 and alpha2beta1 I-domains explain differential calcium-mediated ligand recognition
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Brown, K.L, Banerjee, S, Feigley, A, Abe, H, Blackwell, T, Zent, R, Pozzi, A, Hudson, B.H.
Deposit date:2016-01-08
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
5HJ2
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BU of 5hj2 by Molmil
Integrin alpha2beta1 I-domain
Descriptor: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Brown, K.L, Banerjee, S.
Deposit date:2016-01-12
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Salt-bridge modulates differential calcium-mediated ligand binding to integrin alpha 1- and alpha 2-I domains.
Sci Rep, 8, 2018
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
4CN9
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BU of 4cn9 by Molmil
structure of proximal thread matrix protein 1 (PTMP1) from the mussel byssus with zinc occupied MIDAS motif
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, PROXIMAL THREAD MATRIX PROTEIN 1, ...
Authors:Gertz, M, Suhre, M.H, Scheibel, T, Steegborn, C.
Deposit date:2014-01-21
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Features of a Collagen-Binding Matrix Protein from the Mussel Byssus.
Nat.Commun., 5, 2014
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
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

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