8AH0
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![BU of 8ah0 by Molmil](/molmil-images/mine/8ah0) | BK Polyomavirus VP1 mutant VQQ | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | Deposit date: | 2022-07-20 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus. Cell Rep, 42, 2023
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8AH1
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![BU of 8ah1 by Molmil](/molmil-images/mine/8ah1) | BK Polyomavirus VP1 mutant N-Q | Descriptor: | CHLORIDE ION, GLYCEROL, Major capsid protein VP1 | Authors: | Sorin, M.N, Di Maio, A, Silva, L.M, Ebert, D, Delannoy, C, Nguyen, N.-K, Guerardel, Y, Chai, W, Halary, F, Renaudin-Autain, K, Liu, Y, Bressollette-Bodin, C, Stehle, T, McIlroy, D. | Deposit date: | 2022-07-20 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Structural and functional analysis of natural capsid variants suggests sialic acid-independent entry of BK polyomavirus. Cell Rep, 42, 2023
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3MOR
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![BU of 3mor by Molmil](/molmil-images/mine/3mor) | Crystal structure of Cathepsin B from Trypanosoma Brucei | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... | Authors: | Cupelli, K, Stehle, T. | Deposit date: | 2010-04-23 | Release date: | 2011-11-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | In vivo protein crystallization opens new routes in structural biology. Nat.Methods, 9, 2012
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8B5B
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![BU of 8b5b by Molmil](/molmil-images/mine/8b5b) | Human BRD4 bromdomain 1 in complex with a H4 peptide containing acetyl lysine and ApmTri (H4K5acK8ApmTri) | Descriptor: | Bromodomain-containing protein 4, DI(HYDROXYETHYL)ETHER, H4K5acK8ApmTri | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | Deposit date: | 2022-09-22 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
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8B5C
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![BU of 8b5c by Molmil](/molmil-images/mine/8b5c) | Human BRD4 bromdomain 1 in complex with a H4 peptide containing ApmTri (H4K5/8ApmTri) | Descriptor: | Bromodomain-containing protein 4, H4K5/8ApmTri | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | Deposit date: | 2022-09-22 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
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8B5A
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![BU of 8b5a by Molmil](/molmil-images/mine/8b5a) | Human BRD3 bromodomain 2 in complex with a H4 peptide containing ApmTri (H4K20ApmTri) | Descriptor: | Bromodomain-containing protein 3, H4K20ApmTri | Authors: | Braun, M.B, Bartlick, N, Stehle, T. | Deposit date: | 2022-09-22 | Release date: | 2023-01-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Synthesis, Biochemical Characterization, and Genetic Encoding of a 1,2,4-Triazole Amino Acid as an Acetyllysine Mimic for Bromodomains of the BET Family. Angew.Chem.Int.Ed.Engl., 62, 2023
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4FMJ
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![BU of 4fmj by Molmil](/molmil-images/mine/4fmj) | Merkel cell polyomavirus VP1 in complex with GD1a oligosaccharide | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | Authors: | Neu, U, Hengel, H, Stehle, T. | Deposit date: | 2012-06-17 | Release date: | 2012-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection. Plos Pathog., 8, 2012
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4FMG
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![BU of 4fmg by Molmil](/molmil-images/mine/4fmg) | |
4FMH
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![BU of 4fmh by Molmil](/molmil-images/mine/4fmh) | Merkel Cell Polyomavirus VP1 in complex with Disialyllactose | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | Authors: | Neu, U, Hengel, H, Stehle, T. | Deposit date: | 2012-06-17 | Release date: | 2012-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection. Plos Pathog., 8, 2012
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4FMI
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![BU of 4fmi by Molmil](/molmil-images/mine/4fmi) | Merkel cell polyomavirus VP1 in complex with 3'-sialyllactosamine | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | Authors: | Neu, U, Hengel, H, Stehle, T. | Deposit date: | 2012-06-17 | Release date: | 2012-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Merkel Cell Polyomavirus VP1 Complexes Define a Sialic Acid Binding Site Required for Infection. Plos Pathog., 8, 2012
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2O39
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![BU of 2o39 by Molmil](/molmil-images/mine/2o39) | Human Adenovirus type 11 knob in complex with domains SCR1 and SCR2 of CD46 (membrane cofactor protein, MCP) | Descriptor: | CALCIUM ION, Fiber protein, Membrane cofactor protein, ... | Authors: | Persson, D.B, Reiter, D.M, Arnberg, N, Stehle, T. | Deposit date: | 2006-12-01 | Release date: | 2007-01-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Adenovirus type 11 binding alters the conformation of its receptor CD46. Nat.Struct.Mol.Biol., 14, 2007
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7A9C
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![BU of 7a9c by Molmil](/molmil-images/mine/7a9c) | |
1KKE
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![BU of 1kke by Molmil](/molmil-images/mine/1kke) | |
1JV2
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![BU of 1jv2 by Molmil](/molmil-images/mine/1jv2) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHAVBETA3 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xiong, J.P, Stehle, T, Diefenbach, B, Zhang, R, Dunker, R, Scott, D, Joachimiak, A, Goodman, S.L, Arnaout, M.A. | Deposit date: | 2001-08-28 | Release date: | 2001-10-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the extracellular segment of integrin alpha Vbeta3. Science, 294, 2001
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6ZRX
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![BU of 6zrx by Molmil](/molmil-images/mine/6zrx) | Crystal structure of 6-dimethylallyltryptophan synthase from Micromonospora olivasterospora in complex with DMASPP and Trp | Descriptor: | DI(HYDROXYETHYL)ETHER, DMATS type aromatic prenyltransferase, S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate, ... | Authors: | Ostertag, E, Stehle, T, Zocher, G. | Deposit date: | 2020-07-15 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases. J.Mol.Biol., 433, 2020
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7AJP
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![BU of 7ajp by Molmil](/molmil-images/mine/7ajp) | Crystal Structure of Human Adenovirus 56 Fiber Knob | Descriptor: | 1,2-ETHANEDIOL, Fiber, GLYCEROL, ... | Authors: | Strebl, M, Mindler, K, Stehle, T. | Deposit date: | 2020-09-29 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.382018 Å) | Cite: | Human species D adenovirus hexon capsid protein mediates cell entry through a direct interaction with CD46. Proc.Natl.Acad.Sci.USA, 118, 2021
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1IC1
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![BU of 1ic1 by Molmil](/molmil-images/mine/1ic1) | THE CRYSTAL STRUCTURE FOR THE N-TERMINAL TWO DOMAINS OF ICAM-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, INTERCELLULAR ADHESION MOLECULE-1 | Authors: | Casasnovas, J.M, Stehle, T, Liu, J.-H, Wang, J.-H, Springer, T.A. | Deposit date: | 1998-03-09 | Release date: | 1998-06-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A dimeric crystal structure for the N-terminal two domains of intercellular adhesion molecule-1. Proc.Natl.Acad.Sci.USA, 95, 1998
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1L5G
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![BU of 1l5g by Molmil](/molmil-images/mine/1l5g) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A. | Deposit date: | 2002-03-06 | Release date: | 2002-04-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand. Science, 296, 2002
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7ZH8
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![BU of 7zh8 by Molmil](/molmil-images/mine/7zh8) | DYRK1a in Complex with a Bromo-Triazolo-Pyridine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ... | Authors: | Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M. | Deposit date: | 2022-04-05 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes. J.Med.Chem., 65, 2022
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8A92
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![BU of 8a92 by Molmil](/molmil-images/mine/8a92) | p53-Y220C Core Domain in Complex with a Bromo-trifluoro-pyrazole-amine | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine, Cellular tumor antigen p53, ... | Authors: | Stahlecker, J, Braun, M.B, Stehle, T, Boeckler, F.M. | Deposit date: | 2022-06-27 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C. Rsc Med Chem, 13, 2022
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7B27
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![BU of 7b27 by Molmil](/molmil-images/mine/7b27) | |
1LY2
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![BU of 1ly2 by Molmil](/molmil-images/mine/1ly2) | Crystal structure of unliganded human CD21 SCR1-SCR2 (Complement receptor type 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, complement receptor type 2 | Authors: | Prota, A.E, Sage, D.R, Stehle, T, Fingeroth, J.D. | Deposit date: | 2002-06-06 | Release date: | 2002-07-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of human CD21: Implications for Epstein-Barr virus and C3d binding. Proc.Natl.Acad.Sci.USA, 99, 2002
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1M1X
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![BU of 1m1x by Molmil](/molmil-images/mine/1m1x) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHA VBETA3 BOUND TO MN2+ | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A. | Deposit date: | 2002-06-20 | Release date: | 2002-08-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand. Science, 296, 2002
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1M1U
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![BU of 1m1u by Molmil](/molmil-images/mine/1m1u) | AN ISOLEUCINE-BASED ALLOSTERIC SWITCH CONTROLS AFFINITY AND SHAPE SHIFTING IN INTEGRIN CD11B A-DOMAIN | Descriptor: | CALCIUM ION, Integrin alpha-M | Authors: | Xiong, J.-P, Li, R, Essafi, M, Stehle, T, Arnaout, M.A. | Deposit date: | 2002-06-20 | Release date: | 2002-08-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An isoleucine-based allosteric switch controls affinity and shape shifting in integrin CD11b A-domain. J.Biol.Chem., 275, 2000
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4GU3
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![BU of 4gu3 by Molmil](/molmil-images/mine/4gu3) | |