7ZIQ
 
 | | BK Polyomavirus VP1 in complex with 6'-Sialyllactose glycomacromolecules (aromatic linker) | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Freytag, J, Mueller, J.C, Stehle, T. | | Deposit date: | 2022-04-08 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis of Homo- and Heteromultivalent Fucosylated and Sialylated Oligosaccharide Conjugates via Preactivated N -Methyloxyamine Precision Macromolecules and Their Binding to Polyomavirus Capsid Proteins.
Biomacromolecules, 23, 2022
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7ZIN
 | | JC Polyomavirus VP1 in complex with 6'-Sialyllactose glycomacromolecules (aliphatic linker) | | Descriptor: | 1,2-ETHANEDIOL, Major capsid protein VP1, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... | | Authors: | Freytag, J, Mueller, J.C, Stehle, T. | | Deposit date: | 2022-04-08 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.648 Å) | | Cite: | Synthesis of Homo- and Heteromultivalent Fucosylated and Sialylated Oligosaccharide Conjugates via Preactivated N -Methyloxyamine Precision Macromolecules and Their Binding to Polyomavirus Capsid Proteins.
Biomacromolecules, 23, 2022
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7ZIM
 | | JC Polyomavirus VP1 in complex with 3'-Sialyllactose glycomacromolecules (aromatic linker) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Major capsid protein VP1, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | | Authors: | Freytag, J, Mueller, J.C, Stehle, T. | | Deposit date: | 2022-04-08 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Synthesis of Homo- and Heteromultivalent Fucosylated and Sialylated Oligosaccharide Conjugates via Preactivated N -Methyloxyamine Precision Macromolecules and Their Binding to Polyomavirus Capsid Proteins.
Biomacromolecules, 23, 2022
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7ZIO
 | | JC Polyomavirus VP1 in complex with 6'-Sialyllactose glycomacromolecules (aromatic linker) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Freytag, J, Mueller, J.C, Stehle, T. | | Deposit date: | 2022-04-08 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Synthesis of Homo- and Heteromultivalent Fucosylated and Sialylated Oligosaccharide Conjugates via Preactivated N -Methyloxyamine Precision Macromolecules and Their Binding to Polyomavirus Capsid Proteins.
Biomacromolecules, 23, 2022
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7ZIL
 | | JC Polyomavirus VP1 in complex with 3'-Sialyllactose glycomacromolecules (aliphatic linker) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Freytag, J, Mueller, J.C, Stehle, T. | | Deposit date: | 2022-04-08 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Synthesis of Homo- and Heteromultivalent Fucosylated and Sialylated Oligosaccharide Conjugates via Preactivated N -Methyloxyamine Precision Macromolecules and Their Binding to Polyomavirus Capsid Proteins.
Biomacromolecules, 23, 2022
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8AGH
 | | BK Polyomavirus VP1 mutant E73A | | 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 (1.887 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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8AGO
 | | BK Polyomavirus VP1 mutant E73Q | | 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 (1.853 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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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
 | | 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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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
 | | 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
 | | 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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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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4POT
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4POQ
 | | Structure of unliganded VP1 pentamer of Human Polyomavirus 9 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ISOPROPYL ALCOHOL, ... | | Authors: | Khan, Z.M, Stehle, T. | | Deposit date: | 2014-02-26 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and glycan microarray analysis of human polyomavirus 9 VP1 identifies N-glycolyl neuraminic acid as a receptor candidate.
J.Virol., 88, 2014
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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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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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4GU3
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4GU4
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4POS
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4POR
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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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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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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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