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8SHI
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BU of 8shi by Molmil
Valpha3S1 Vbeta13S1 HLA C 0602 VRSRRCLRL
Descriptor: Beta-2-microglobulin, MHC class I antigen (Fragment), T cell receptor alpha, ...
Authors:Littler, D.R, Anand, S, Vivian, J.P, Rossjohn, J.
Deposit date:2023-04-14
Release date:2023-06-28
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.90001726 Å)
Cite:Complimentary electrostatics dominate T-cell receptor binding to a psoriasis-associated peptide antigen presented by human leukocyte antigen C∗06:02.
J.Biol.Chem., 299, 2023
1N0W
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BU of 1n0w by Molmil
Crystal structure of a RAD51-BRCA2 BRC repeat complex
Descriptor: 1,2-ETHANEDIOL, ARTIFICIAL GLY-SER-MSE-GLY PEPTIDE, Breast cancer type 2 susceptibility protein, ...
Authors:Pellegrini, L, Yu, D.S, Lo, T, Anand, S, Lee, M, Blundell, T.L, Venkitaraman, A.R.
Deposit date:2002-10-15
Release date:2002-11-27
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into DNA recombination from the structure of a RAD51-BRCA2 complex
Nature, 420, 2002
4MIB
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BU of 4mib by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with Compound 48 (N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide)
Descriptor: DIMETHYL SULFOXIDE, N-({(3S)-1-[6-tert-butyl-5-methoxy-8-(2-oxo-1,2-dihydropyridin-3-yl)quinolin-3-yl]pyrrolidin-3-yl}methyl)methanesulfonamide, RNA-DIRECTED RNA POLYMERASE
Authors:Harris, S.F, Villasenor, A.G.
Deposit date:2013-08-30
Release date:2014-05-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
4MIA
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BU of 4mia by Molmil
Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with RG7109 (N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide)
Descriptor: N-{4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-2,5-dihydropyridin-3-yl)quinolin-3-yl]phenyl}methanesulfonamide, RNA-directed RNA polymerase, ZINC ION
Authors:Harris, S.F, Villasenor, A.G.
Deposit date:2013-08-30
Release date:2014-05-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of N-[4-[6-tert-butyl-5-methoxy-8-(6-methoxy-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide (RG7109), a potent inhibitor of the hepatitis C virus NS5B polymerase.
J.Med.Chem., 57, 2014
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
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
3IJE
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BU of 3ije by Molmil
Crystal structure of the complete integrin alhaVbeta3 ectodomain plus an Alpha/beta transmembrane fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xiong, J.-P, Mahalingham, B, Rui, X, Hyman, B.T, Goodman, S.L, Arnaout, M.A.
Deposit date:2009-08-04
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the complete integrin alphaVbeta3 ectodomain plus an alpha/beta transmembrane fragment.
J.Cell Biol., 186, 2009
4O02
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BU of 4o02 by Molmil
AlphaVBeta3 integrin in complex with monoclonal antibody FAB fragment.
Descriptor: 17E6 heavy chain, 17E6 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mahalingam, B, van Agthoven, J, Xiong, J, Arnaout, M.A.
Deposit date:2013-12-13
Release date:2014-04-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.605 Å)
Cite:Atomic basis for the species-specific inhibition of alpha V integrins by monoclonal antibody 17E6 is revealed by the crystal structure of alpha V beta 3 ectodomain-17E6 Fab complex.
J.Biol.Chem., 289, 2014
4G1M
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Re-refinement of alpha V beta 3 structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Springer, T.A, Mi, L, Zhu, J.
Deposit date:2012-07-10
Release date:2012-12-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Alpha V Beta 3 Integrin Crystal Structures and their Functional Implications
Biochemistry, 51, 2012

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