6GAK
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4DIU
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![BU of 4diu by Molmil](/molmil-images/mine/4diu) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94 | Descriptor: | Engineered Protein PF00326 | Authors: | Seetharaman, J, Lew, S, Wang, D, Kohan, E, Patel, D, Whitehead, T, Fleishman, S, Ciccosanti, C, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-01-31 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94 To be Published
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4KNK
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![BU of 4knk by Molmil](/molmil-images/mine/4knk) | Crystal structure of Staphylococcus aureus hydrolase AmiA | Descriptor: | 1,2-ETHANEDIOL, Bifunctional autolysin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Buettner, F.M, Zoll, S, Stehle, T. | Deposit date: | 2013-05-10 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.124 Å) | Cite: | Structure-function analysis of Staphylococcus aureus amidase reveals the determinants of peptidoglycan recognition and cleavage. J.Biol.Chem., 289, 2014
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6GAO
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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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4LZU
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6H2N
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![BU of 6h2n by Molmil](/molmil-images/mine/6h2n) | TarP-UDP-GlcNAc-Mg | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Guo, Y, Stehle, T. | Deposit date: | 2018-07-13 | Release date: | 2018-09-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. Nature, 563, 2018
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4LZV
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1VSC
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![BU of 1vsc by Molmil](/molmil-images/mine/1vsc) | VCAM-1 | Descriptor: | VASCULAR CELL ADHESION MOLECULE-1 | Authors: | Wang, J, Stehle, T, Osborn, L. | Deposit date: | 1995-04-27 | Release date: | 1996-06-20 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of an N-terminal two-domain fragment of vascular cell adhesion molecule 1 (VCAM-1): a cyclic peptide based on the domain 1 C-D loop can inhibit VCAM-1-alpha 4 integrin interaction. Proc.Natl.Acad.Sci.USA, 92, 1995
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4XC5
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![BU of 4xc5 by Molmil](/molmil-images/mine/4xc5) | CRYSTAL STRUCTURE OF THE T1L REOVIRUS ATTACHMENT PROTEIN SIGMA1 | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Reiss, K, Stehle, T. | Deposit date: | 2014-12-17 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Serotype 1 Reovirus Attachment Protein sigma 1 in Complex with Junctional Adhesion Molecule A Reveals a Conserved Serotype-Independent Binding Epitope. J.Virol., 89, 2015
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4YUF
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4YUC
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![BU of 4yuc by Molmil](/molmil-images/mine/4yuc) | Crystal Structure of CorB derivatized with S-(2-acetamidoethyl) 4-methyl-3-oxohexanethioate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CorB, SODIUM ION | Authors: | Zocher, G, Vilstrup, J, Stehle, T. | Deposit date: | 2015-03-18 | Release date: | 2016-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural basis of head to head polyketide fusion by CorB. Chem Sci, 6, 2015
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1KKE
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4X11
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![BU of 4x11 by Molmil](/molmil-images/mine/4x11) | JC Polyomavirus genotype 3 VP1 in complex with GD1a oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-05-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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4X12
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![BU of 4x12 by Molmil](/molmil-images/mine/4x12) | JC Polyomavirus genotype 3 VP1 in complex with GD1b oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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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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4X13
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![BU of 4x13 by Molmil](/molmil-images/mine/4x13) | JC Polyomavirus genotype 3 VP1 in complex with LSTc pentasaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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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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4X21
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![BU of 4x21 by Molmil](/molmil-images/mine/4x21) | The MAP kinase JNK3 as target for halogen bonding | Descriptor: | CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide | Authors: | Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F. | Deposit date: | 2014-11-25 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. J.Am.Chem.Soc., 137, 2015
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4X0Y
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![BU of 4x0y by Molmil](/molmil-images/mine/4x0y) | JC polyomavirus VP1 from a genotype 3 strain | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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4X15
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![BU of 4x15 by Molmil](/molmil-images/mine/4x15) | JC Mad-1 polyomavirus VP1 in complex with GM2 oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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4X0Z
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![BU of 4x0z by Molmil](/molmil-images/mine/4x0z) | JC Polyomavirus genotype 3 VP1 in complex with GM1 oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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4X17
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![BU of 4x17 by Molmil](/molmil-images/mine/4x17) | JC Mad-1 polyomavirus VP1 in complex with GD1b oligosaccharide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Major capsid protein VP1, ... | Authors: | Stroh, L.J, Stehle, T. | Deposit date: | 2014-11-24 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Greater Affinity of JC Polyomavirus Capsid for alpha 2,6-Linked Lactoseries Tetrasaccharide c than for Other Sialylated Glycans Is a Major Determinant of Infectivity. J.Virol., 89, 2015
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