3LDX
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1HFC
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2LL5
| Cyclo-TC1 Trp-cage | Descriptor: | Cyclo-TC1 | Authors: | Lin, J.C, Scian, M, Andersen, N.H. | Deposit date: | 2011-10-26 | Release date: | 2012-07-18 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction. Proc.Natl.Acad.Sci.USA, 109, 2012
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3MBP
| MALTODEXTRIN-BINDING PROTEIN WITH BOUND MALTOTRIOSE | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Spurlino, J.C, Quiocho, F.A. | Deposit date: | 1997-06-25 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor. Structure, 5, 1997
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4MBP
| MALTODEXTRIN BINDING PROTEIN WITH BOUND MALTETROSE | Descriptor: | MALTODEXTRIN BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Spurlino, J.C, Quiocho, F.A. | Deposit date: | 1997-08-17 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor. Structure, 5, 1997
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2ZA5
| Crystal Structure of human tryptase with potent non-peptide inhibitor | Descriptor: | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2 | Authors: | Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C. | Deposit date: | 2007-10-02 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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1ANF
| MALTODEXTRIN BINDING PROTEIN WITH BOUND MALTOSE | Descriptor: | MALTODEXTRIN-BINDING PROTEIN, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Spurlino, J.C, Quiocho, F.A. | Deposit date: | 1997-06-25 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Extensive features of tight oligosaccharide binding revealed in high-resolution structures of the maltodextrin transport/chemosensory receptor. Structure, 5, 1997
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2ZEC
| Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | Descriptor: | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2 | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | Deposit date: | 2007-12-08 | Release date: | 2008-12-09 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.059 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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3C27
| Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors | Descriptor: | Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | Authors: | Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C. | Deposit date: | 2008-01-24 | Release date: | 2009-02-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.182 Å) | Cite: | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors To be Published
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2ZEB
| Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | Descriptor: | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2 | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | Deposit date: | 2007-12-08 | Release date: | 2008-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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7K7Z
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7K7L
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1IVT
| NMR structures of the C-terminal globular domain of human lamin A/C | Descriptor: | Lamin A/C | Authors: | Krimm, I, Ostlund, C, Gilquin, B, Couprie, J, Hossenlopp, P, Mornon, J.P, Bonn, G, Courvalin, J.C, Worman, H.J, Zinn-Justin, S. | Deposit date: | 2002-03-29 | Release date: | 2002-08-21 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The Ig-like structure of the C-terminal domain of lamin A/C, mutated in muscular dystrophies, cardiomyopathy, and partial lipodystrophy. Structure, 10, 2002
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3DWQ
| Crystal structure of the A-subunit of the AB5 toxin from E. coli with Neu5Gc-2,3Gal-1,3GlcNAc | Descriptor: | AZIDE ION, N-PROPANOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | Authors: | Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T. | Deposit date: | 2008-07-22 | Release date: | 2008-11-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin Nature, 456, 2008
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3DWA
| Crystal structure of the B-subunit of the AB5 toxin from E. coli | Descriptor: | PENTAETHYLENE GLYCOL, Subtilase cytotoxin, subunit B | Authors: | Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T. | Deposit date: | 2008-07-22 | Release date: | 2008-11-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.084 Å) | Cite: | Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin Nature, 456, 2008
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3DWP
| Crystal structure of the B-subunit of the AB5 toxin from E. Coli with Neu5Gc | Descriptor: | N-glycolyl-alpha-neuraminic acid, PENTAETHYLENE GLYCOL, Subtilase cytotoxin, ... | Authors: | Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T. | Deposit date: | 2008-07-22 | Release date: | 2008-11-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin Nature, 456, 2008
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1MNC
| STRUCTURE OF HUMAN NEUTROPHIL COLLAGENASE REVEALS LARGE S1' SPECIFICITY POCKET | Descriptor: | CALCIUM ION, METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID, NEUTROPHIL COLLAGENASE, ... | Authors: | Stams, T, Spurlino, J.C, Smith, D.L, Rubin, B. | Deposit date: | 1994-01-12 | Release date: | 1995-02-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of human neutrophil collagenase reveals large S1' specificity pocket. Nat.Struct.Biol., 1, 1994
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2QDF
| Structure of N-terminal domain of E. Coli YaeT | Descriptor: | MAGNESIUM ION, Outer membrane protein assembly factor yaeT | Authors: | Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D. | Deposit date: | 2007-06-20 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function of an essential component of the outer membrane protein assembly machine. Science, 317, 2007
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2QCZ
| Structure of N-terminal domain of E. Coli YaeT | Descriptor: | Outer membrane protein assembly factor yaeT | Authors: | Kim, S, Malinverni, J.C, Sliz, P, Silhavy, T.J, Harrison, S.C, Kahne, D. | Deposit date: | 2007-06-20 | Release date: | 2007-08-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure and function of an essential component of the outer membrane protein assembly machine. Science, 317, 2007
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1QBV
| CRYSTAL STRUCTURE OF THROMBIN COMPLEXED WITH AN GUANIDINE-MIMETIC INHIBITOR | Descriptor: | Hirudin, THROMBIN (HEAVY CHAIN), THROMBIN (LIGHT CHAIN), ... | Authors: | Bone, R, Lu, T, Illig, C.R, Soll, R.M, Spurlino, J.C. | Deposit date: | 1999-04-27 | Release date: | 1999-10-27 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of thrombin complexed with potent inhibitors incorporating a phenyl group as a peptide mimetic and aminopyridines as guanidine substitutes. J.Med.Chem., 41, 1998
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2AJL
| X-ray Structure of Novel Biaryl-Based Dipeptidyl peptidase IV inhibitor | Descriptor: | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 | Authors: | Qiao, L, Baumann, C.A, Crysler, C.S, Ninan, N.S, Abad, M.C, Spurlino, J.C, DesJarlais, R.L, Kervinen, J, Neeper, M.P, Bayoumy, S.S. | Deposit date: | 2005-08-02 | Release date: | 2005-11-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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3U6A
| Rational Design and Synthesis of Aminopiperazinones as Beta Secretase (BACE) Inhibitors | Descriptor: | Beta-secretase 1, N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide, SULFATE ION | Authors: | Spurlino, J.C, Alexander, R.S. | Deposit date: | 2011-10-12 | Release date: | 2011-11-09 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Rational design and synthesis of aminopiperazinones as beta-secretase (BACE) inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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1HWQ
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8ESB
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8ES9
| CryoEM structure of PN45428 TCR-CD3 in complex with HLA-A2 MAGEA4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Saotome, K, Franklin, M.C. | Deposit date: | 2022-10-13 | Release date: | 2023-05-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM. Nat Commun, 14, 2023
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