4XW2
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![BU of 4xw2 by Molmil](/molmil-images/mine/4xw2) | 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
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2B2X
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![BU of 2b2x by Molmil](/molmil-images/mine/2b2x) | 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
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4F1J
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![BU of 4f1j by Molmil](/molmil-images/mine/4f1j) | 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
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3TW0
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![BU of 3tw0 by Molmil](/molmil-images/mine/3tw0) | |
4F1K
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![BU of 4f1k by Molmil](/molmil-images/mine/4f1k) | 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
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8CE9
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![BU of 8ce9 by Molmil](/molmil-images/mine/8ce9) | 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
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8CE6
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![BU of 8ce6 by Molmil](/molmil-images/mine/8ce6) | 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
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7A6O
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![BU of 7a6o by Molmil](/molmil-images/mine/7a6o) | |
3ZQK
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![BU of 3zqk by Molmil](/molmil-images/mine/3zqk) | Von Willebrand Factor A2 domain with calcium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Jakobi, A.J, Huizinga, E.G. | Deposit date: | 2011-06-09 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Calcium Modulates Force Sensing by the Von Willebrand Factor A2 Domain. Nat.Commun., 2, 2011
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3M6F
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![BU of 3m6f by Molmil](/molmil-images/mine/3m6f) | 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
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7F49
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![BU of 7f49 by Molmil](/molmil-images/mine/7f49) | 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
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7EOW
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![BU of 7eow by Molmil](/molmil-images/mine/7eow) | |
4A0Q
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![BU of 4a0q by Molmil](/molmil-images/mine/4a0q) | Activated Conformation of Integrin alpha1 I-Domain mutant | Descriptor: | INTEGRIN ALPHA-1, MAGNESIUM ION | Authors: | Lahti, M, Bligt, E, Niskanen, H, Parkash, V, Brandt, A.-M, Jokinen, J, Patrikainen, P, Kapyla, J, Heino, J, Salminen, T.A. | Deposit date: | 2011-09-12 | Release date: | 2011-10-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Collagen Receptor Integrin Aplha1I Domain Carrying the Activating Mutation E317A. J.Biol.Chem., 286, 2011
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3N2N
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![BU of 3n2n by Molmil](/molmil-images/mine/3n2n) | 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
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4IXD
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![BU of 4ixd by Molmil](/molmil-images/mine/4ixd) | 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
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2ICA
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![BU of 2ica by Molmil](/molmil-images/mine/2ica) | 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
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4JDU
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![BU of 4jdu by Molmil](/molmil-images/mine/4jdu) | 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
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6ADR
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![BU of 6adr by Molmil](/molmil-images/mine/6adr) | |
1MQA
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![BU of 1mqa by Molmil](/molmil-images/mine/1mqa) | Crystal structure of high affinity alphaL I domain in the absence of ligand or metal | Descriptor: | Integrin alpha-L | Authors: | Shimaoka, T, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, Zhang, R, Takagi, J, Wang, J.-H, Springer, T.A. | Deposit date: | 2002-09-15 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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1MF7
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![BU of 1mf7 by Molmil](/molmil-images/mine/1mf7) | INTEGRIN ALPHA M I DOMAIN | Descriptor: | INTEGRIN ALPHA M | Authors: | McCleverty, C.J, Liddington, R.C. | Deposit date: | 2002-08-09 | Release date: | 2003-05-20 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Engineered allosteric mutants of the integrin alphaMbeta2 I domain: structural and functional studies Biochem.J., 372, 2003
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1MQ9
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![BU of 1mq9 by Molmil](/molmil-images/mine/1mq9) | Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact | Descriptor: | Integrin alpha-L, MANGANESE (II) ION | Authors: | 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. | Deposit date: | 2002-09-15 | Release date: | 2003-01-14 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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1N3Y
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![BU of 1n3y by Molmil](/molmil-images/mine/1n3y) | 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
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5HGJ
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![BU of 5hgj by Molmil](/molmil-images/mine/5hgj) | 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
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5HJ2
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![BU of 5hj2 by Molmil](/molmil-images/mine/5hj2) | 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
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4RCK
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![BU of 4rck by Molmil](/molmil-images/mine/4rck) | |