2OTK
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1W3M
| Crystal structure of tsushimycin | Descriptor: | CALCIUM ION, CHLORIDE ION, Delta-3isotetradecenoic acid, ... | Authors: | Bunkoczi, G, Vertesy, L, Sheldrick, G.M. | Deposit date: | 2004-07-16 | Release date: | 2005-07-27 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure of the lipopeptide antibiotic tsushimycin. Acta Crystallogr. D Biol. Crystallogr., 61, 2005
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4R2G
| Crystal Structure of PGT124 Fab bound to HIV-1 JRCSF gp120 core and to CD4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Garces, F, Wilson, I.A. | Deposit date: | 2014-08-11 | Release date: | 2014-10-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.283 Å) | Cite: | Structural Evolution of Glycan Recognition by a Family of Potent HIV Antibodies. Cell(Cambridge,Mass.), 159, 2014
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1ZPA
| HIV Protease with Scripps AB-3 Inhibitor | Descriptor: | Pol polyprotein, TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | Authors: | Brik, A, Alexandratos, J, Lin, Y.C, Elder, J.H, Olson, A.J, Wlodawer, A, Goodsell, D.S, Wong, C.H. | Deposit date: | 2005-05-16 | Release date: | 2005-05-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | 1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors Chembiochem, 6, 2005
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4B77
| Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1, DIMETHYL SULFOXIDE | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B70
| Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (2S)-2-[3-(3-chlorophenyl)phenyl]-2-methyl-5,6-dihydro-1,3-oxazin-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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6MNQ
| Rhesus macaque anti-HIV V3 antibody DH727.2 with gp120 V3 ZAM18 peptide | Descriptor: | 1,2-ETHANEDIOL, Ab DH727.2 heavy chain Fab fragment, Ab DH727.2 light chain, ... | Authors: | Nicely, N.I. | Deposit date: | 2018-10-02 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations. Nat Commun, 10, 2019
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6MNR
| Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide | Descriptor: | 1,2-ETHANEDIOL, Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, ... | Authors: | Nicely, N.I. | Deposit date: | 2018-10-02 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations. Nat Commun, 10, 2019
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6YAX
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5HJO
| Murine endoplasmic reticulum alpha-glucosidase II with bound substrate analogue | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-alpha-D-arabino-hexopyranose-(1-3)-D-glucal, ACETATE ION, ... | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | Deposit date: | 2016-01-13 | Release date: | 2016-07-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
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4B78
| Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (3R,5R)-3-methoxy-5-(4-methoxyphenyl)-5-(3-pyridin-3-ylphenyl)-3,4-dihydropyrrol-2-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4B72
| Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain | Descriptor: | (6R)-6-(4-methoxyphenyl)-2-methyl-6-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-d][1,3]thiazol-4-amine, BETA-SECRETASE 1 | Authors: | Gravenfors, Y, Blid, J, Ginman, T, Karlstrom, S, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Berg, S, Kieseritzky, F, Slivo, C, Swahn, B, Viklund, J, Olsson, L, Johansson, P, Eketjall, S, Falting, J, Jeppsson, F, Stromberg, K, Janson, J, Rahm, F. | Deposit date: | 2012-08-16 | Release date: | 2013-06-26 | Last modified: | 2013-07-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Core Refinement Toward Permeable Beta-Secretase (Bace-1) Inhibitors with Low Herg Activity. J.Med.Chem., 56, 2013
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4BXT
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1TAB
| STRUCTURE OF THE TRYPSIN-BINDING DOMAIN OF BOWMAN-BIRK TYPE PROTEASE INHIBITOR AND ITS INTERACTION WITH TRYPSIN | Descriptor: | BOWMAN-BIRK TYPE PROTEINASE INHIBITOR, TRYPSIN | Authors: | Tsunogae, Y, Tanaka, I, Yamane, T, Kikkawa, J.-I, Ashida, T, Ishikawa, C, Watanabe, K, Nakamura, S, Takahashi, K. | Deposit date: | 1990-10-15 | Release date: | 1992-01-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the trypsin-binding domain of Bowman-Birk type protease inhibitor and its interaction with trypsin. J.Biochem.(Tokyo), 100, 1986
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2EV0
| Bacillus subtilis manganese transport regulator (MNTR) bound to cadmium | Descriptor: | CADMIUM ION, Transcriptional regulator mntR | Authors: | Kliegman, J.I, Griner, S.L, Helmann, J.D, Brennan, R.G, Glasfeld, A. | Deposit date: | 2005-10-30 | Release date: | 2006-03-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for the Metal-Selective Activation of the Manganese Transport Regulator of Bacillus subtilis. Biochemistry, 45, 2006
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7KB6
| Co-crystal structure of alpha glucosidase with compound 7 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(pyrimidin-2-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-10-01 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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7KB8
| Co-crystal structure of alpha glucosidase with compound 8 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(4-{[2-nitro-4-(triazan-1-yl)phenyl]amino}butyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-10-01 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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7KAD
| Co-crystal structure of alpha glucosidase with compound 6 | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-1,2,3-triazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-09-30 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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5EZU
| Crystal structure of the N-terminal domain of vaccinia virus immunomodulator A46 in complex with myristic acid. | Descriptor: | MYRISTIC ACID, Protein A46 | Authors: | Fedosyuk, S, Bezerra, G.A, Sammito, M, Uson, I, Skern, T. | Deposit date: | 2015-11-26 | Release date: | 2016-11-30 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Vaccinia Virus Immunomodulator A46: A Lipid and Protein-Binding Scaffold for Sequestering Host TIR-Domain Proteins. PLoS Pathog., 12, 2016
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6NF2
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6OT1
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6OSY
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7LUA
| Cryo-EM structure of DH898.1 Fab-dimer bound near the CD4 binding site of HIV-1 Env CH848 SOSIP trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848 SOSIP gp120, ... | Authors: | Manne, K, Edwards, R.J, Acharya, P. | Deposit date: | 2021-02-21 | Release date: | 2021-03-17 | Last modified: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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7L6O
| Cryo-EM structure of HIV-1 Env CH848.3.D0949.10.17chim.6R.DS.SOSIP.664 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848.3.D0949.10.17chim.6R.DS.SOSIP.664 - gp120, ... | Authors: | Manne, K, Edwards, R.J, Acharya, P. | Deposit date: | 2020-12-23 | Release date: | 2021-04-14 | Last modified: | 2021-06-09 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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1NMJ
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