2XUK
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![BU of 2xuk by Molmil](/molmil-images/mine/2xuk) | CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (10 MTH) | Descriptor: | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-19 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
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3R6N
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![BU of 3r6n by Molmil](/molmil-images/mine/3r6n) | Crystal structure of a rigid four spectrin repeat fragment of the human desmoplakin plakin domain | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Desmoplakin | Authors: | Choi, H.-J, Weis, W.I. | Deposit date: | 2011-03-22 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structure of a rigid four-spectrin-repeat fragment of the human desmoplakin plakin domain. J.Mol.Biol., 409, 2011
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3R0N
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![BU of 3r0n by Molmil](/molmil-images/mine/3r0n) | Crystal Structure of the Immunoglobulin variable domain of Nectin-2 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Poliovirus receptor-related protein 2 | Authors: | Ramagopal, U.A, Samanta, D, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2011-03-08 | Release date: | 2011-04-27 | Last modified: | 2012-11-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of Nectin-2 reveals determinants of homophilic and heterophilic interactions that control cell-cell adhesion. Proc.Natl.Acad.Sci.USA, 109, 2012
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2XUH
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![BU of 2xuh by Molmil](/molmil-images/mine/2xuh) | CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 ANTI COMPLEX (10 MTH) | Descriptor: | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-19 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
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2XUO
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![BU of 2xuo by Molmil](/molmil-images/mine/2xuo) | CRYSTAL STRUCTURE OF MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI inhibitor | Descriptor: | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-19 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
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2XUQ
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![BU of 2xuq by Molmil](/molmil-images/mine/2xuq) | CRYSTAL STRUCTURE OF the MACHE-Y337A mutant in complex with soaked TZ2PA6 ANTI-SYN inhibitors | Descriptor: | 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, HEXAETHYLENE GLYCOL | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-20 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
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2XUD
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![BU of 2xud by Molmil](/molmil-images/mine/2xud) | Crystal structure of the Y337A mutant of mouse acetylcholinesterase | Descriptor: | ACETATE ION, ACETYLCHOLINESTERASE, DECAMETHONIUM ION, ... | Authors: | Bourne, Y, Radic, Z, Taylor, P, Marchot, P. | Deposit date: | 2010-10-19 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State J.Am.Chem.Soc., 132, 2010
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7F8J
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![BU of 7f8j by Molmil](/molmil-images/mine/7f8j) | Cryo-EM structure of human pannexin-1 in a nanodisc | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1 | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2021-07-02 | Release date: | 2022-01-26 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids. Sci.Signal., 15, 2022
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7F8O
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![BU of 7f8o by Molmil](/molmil-images/mine/7f8o) | Cryo-EM structure of the C-terminal deletion mutant of human PANX1 in a nanodisc | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1 | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2021-07-02 | Release date: | 2022-01-26 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids. Sci.Signal., 15, 2022
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7F8N
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![BU of 7f8n by Molmil](/molmil-images/mine/7f8n) | Human pannexin-1 showing a conformational change in the N-terminal domain and blocked pore | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Pannexin-1 | Authors: | Kuzuya, M, Hirano, H, Hayashida, K, Watanabe, M, Kobayashi, K, Tani, K, Fujiyoshi, Y, Oshima, A. | Deposit date: | 2021-07-02 | Release date: | 2022-01-26 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of human pannexin-1 in nanodiscs reveal gating mediated by dynamic movement of the N terminus and phospholipids. Sci.Signal., 15, 2022
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3IJE
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![BU of 3ije by Molmil](/molmil-images/mine/3ije) | 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
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3J41
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![BU of 3j41 by Molmil](/molmil-images/mine/3j41) | Pseudo-atomic model of the Aquaporin-0/Calmodulin complex derived from electron microscopy | Descriptor: | CALCIUM ION, Calmodulin, Lens fiber major intrinsic protein | Authors: | Reichow, S.L, Clemens, D.M, Freites, J.A, Nemeth-Cahalan, K.L, Heyden, M, Tobias, D.J, Hall, J.E, Gonen, T. | Deposit date: | 2013-05-31 | Release date: | 2013-07-31 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Allosteric mechanism of water-channel gating by Ca(2+)-calmodulin. Nat.Struct.Mol.Biol., 20, 2013
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3X1D
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![BU of 3x1d by Molmil](/molmil-images/mine/3x1d) | |
3AGM
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![BU of 3agm by Molmil](/molmil-images/mine/3agm) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670 | Descriptor: | N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha | Authors: | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | Deposit date: | 2010-04-02 | Release date: | 2010-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions. J.Mol.Biol., 403, 2010
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3X1Z
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![BU of 3x1z by Molmil](/molmil-images/mine/3x1z) | Ras-related protein Rap1B(T65A) with GppNHp | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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3JBY
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![BU of 3jby by Molmil](/molmil-images/mine/3jby) | Cryo-electron microscopy structure of RAG Paired Complex (C2 symmetry) | Descriptor: | '-D(P*GP*AP*TP*CP*TP*GP*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3', 5'-D(P*CP*AP*CP*AP*GP*TP*GP*CP*TP*AP*CP*AP*GP*AP*C)-3', CALCIUM ION, ... | Authors: | Ru, H, Chambers, M.G, Fu, T.-M, Tong, A.B, Liao, M, Wu, H. | Deposit date: | 2015-10-22 | Release date: | 2015-12-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Molecular Mechanism of V(D)J Recombination from Synaptic RAG1-RAG2 Complex Structures. Cell(Cambridge,Mass.), 163, 2015
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3Q0T
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![BU of 3q0t by Molmil](/molmil-images/mine/3q0t) | |
3AMB
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![BU of 3amb by Molmil](/molmil-images/mine/3amb) | Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680 | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Pflug, A, de Oliveira, T.M, Bossemeyer, D, Engh, R.A. | Deposit date: | 2010-08-18 | Release date: | 2011-08-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase Biochem.J., 440, 2011
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2XHB
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![BU of 2xhb by Molmil](/molmil-images/mine/2xhb) | Crystal structure of DNA polymerase from Thermococcus gorgonarius in complex with hypoxanthine-containing DNA | Descriptor: | 5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*A)-3', DNA POLYMERASE, HYPOXANTHINE-CONTAINING DNA, ... | Authors: | Killelea, T, Ghosh, S, Tan, S.S, Heslop, P, Firbank, S.J, Kool, E.T, Connolly, B.A. | Deposit date: | 2010-06-14 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Probing the Interaction of Archaeal DNA Polymerases with Deaminated Bases Using X-Ray Crystallography and Non-Hydrogen Bonding Isosteric Base Analogues. Biochemistry, 49, 2010
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2ZL1
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![BU of 2zl1 by Molmil](/molmil-images/mine/2zl1) | MP1-p14 Scaffolding complex | Descriptor: | Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein | Authors: | Schrag, J.D, Cygler, M, Munger, C, Magloire, A. | Deposit date: | 2008-04-02 | Release date: | 2008-06-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex. J.Mol.Biol., 379, 2008
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2Z8Y
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![BU of 2z8y by Molmil](/molmil-images/mine/2z8y) | Xenon-bound structure of bifunctional carbon monoxide dehydrogenase/acetyl-CoA synthase(CODH/ACS) from Moorella thermoacetica | Descriptor: | COPPER (I) ION, Carbon monoxide dehydrogenase/acetyl CoA synthase subunit alpha, Carbon monoxide dehydrogenase/acetyl CoA synthase subunit beta, ... | Authors: | Doukov, T.I, Blasiak, L.C, Drennan, C.L. | Deposit date: | 2007-09-12 | Release date: | 2008-03-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Xenon in and at the End of the Tunnel of Bifunctional Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase Biochemistry, 47, 2008
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3SWW
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![BU of 3sww by Molmil](/molmil-images/mine/3sww) | Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | Authors: | Klei, H.E. | Deposit date: | 2011-07-14 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site. Bioorg.Med.Chem.Lett., 21, 2011
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3AU3
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![BU of 3au3 by Molmil](/molmil-images/mine/3au3) | Crystal structure of armadillo repeat domain of APC | Descriptor: | Adenomatous polyposis coli protein | Authors: | Murayama, K, Kato-Murayama, M, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2011-01-28 | Release date: | 2011-11-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of the armadillo repeat domain of adenomatous polyposis coli and its complex with the tyrosine-rich domain of sam68 Structure, 19, 2011
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3A62
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![BU of 3a62 by Molmil](/molmil-images/mine/3a62) | Crystal structure of phosphorylated p70S6K1 | Descriptor: | MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-18 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3JBX
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![BU of 3jbx by Molmil](/molmil-images/mine/3jbx) | Cryo-electron microscopy structure of RAG Signal End Complex (C2 symmetry) | Descriptor: | 5'-D(*CP*AP*CP*AP*GP*TP*GP*CP*TP*AP*CP*AP*GP*AP*C)-3', 5'-D(*GP*CP*GP*AP*TP*GP*GP*TP*TP*AP*AP*CP*CP*A)-3', 5'-D(P*GP*TP*CP*TP*GP*TP*AP*GP*CP*AP*CP*TP*GP*TP*G)-3', ... | Authors: | Ru, H, Chambers, M.G, Fu, T.-M, Tong, A.B, Liao, M, Wu, H. | Deposit date: | 2015-10-22 | Release date: | 2015-12-09 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular Mechanism of V(D)J Recombination from Synaptic RAG1-RAG2 Complex Structures. Cell(Cambridge,Mass.), 163, 2015
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