2I4X
 
 | | HIV-1 Protease I84V, L90M with GS-8374 | | Descriptor: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease | | Authors: | Hatada, M. | | Deposit date: | 2006-08-22 | | Release date: | 2007-08-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
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3AYK
 | | CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, PROTEIN (COLLAGENASE), ... | | Authors: | Powers, R, Moy, F.J. | | Deposit date: | 1999-02-01 | | Release date: | 1999-06-07 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound.
Biochemistry, 38, 1999
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4AYK
 | | CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, 30 STRUCTURES | | Descriptor: | CALCIUM ION, N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE, PROTEIN (COLLAGENASE), ... | | Authors: | Powers, R, Moy, F.J. | | Deposit date: | 1999-02-01 | | Release date: | 1999-06-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound.
Biochemistry, 38, 1999
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4IO9
 | | Crystal structure of compound 4d bound to large ribosomal subunit (50S) from Deinococcus radiodurans | | Descriptor: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-(pyridin-3-yl)pyrrolidine-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | | Authors: | Han, S, Marr, E.S. | | Deposit date: | 2013-01-07 | | Release date: | 2013-03-06 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates.
Bioorg.Med.Chem.Lett., 23, 2013
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4IOA
 | | Crystal structure of compound 4e bound to large ribosomal subunit (50S) from Deinococcus radiodurans | | Descriptor: | (3aS,4R,7R,8S,9S,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-2-[4-(acetylamino)phenyl]-2,3-dihydro-1H-pyrrole-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | | Authors: | Han, S, Marr, E.S. | | Deposit date: | 2013-01-07 | | Release date: | 2013-03-06 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates.
Bioorg.Med.Chem.Lett., 23, 2013
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4IOC
 | | Crystal structure of compound 4f bound to large ribosomal subunit (50S) from Deinococcus radiodurans | | Descriptor: | (3aS,4R,7R,8S,9S,10R,11R,13R,15S,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,14-trioxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-8-yl (2R)-4,4-dimethyl-2-(pyridin-3-yl)pyrrolidine-1-carboxylate, 23S ribosomal RNA, 50S ribosomal protein L11, ... | | Authors: | Han, S, Marr, E.S. | | Deposit date: | 2013-01-07 | | Release date: | 2013-03-06 | | Last modified: | 2013-03-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Novel 3-O-carbamoyl erythromycin A derivatives (carbamolides) with activity against resistant staphylococcal and streptococcal isolates.
Bioorg.Med.Chem.Lett., 23, 2013
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4ISY
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6OVQ
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW | | Descriptor: | GLYCEROL, Putative Side chain reductase | | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2019-05-08 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6OW0
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+ and PEG | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MtmW, ... | | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2019-05-08 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6OVX
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+, P422 form | | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative side chain reductase | | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2019-05-08 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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1IDP
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3LAL
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor | | Descriptor: | 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION | | Authors: | Lansdon, E.B, Mitchell, M.L. | | Deposit date: | 2010-01-06 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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3U1Y
 | | Potent Inhibitors of LpxC for the Treatment of Gram-Negative Infections | | Descriptor: | (2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{4'-[3-(morpholin-4-yl)propoxy]biphenyl-4-yl}butanamide, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Brown, M, Abramite, J, Liu, S. | | Deposit date: | 2011-09-30 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent inhibitors of LpxC for the treatment of Gram-negative infections.
J.Med.Chem., 55, 2012
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3LAK
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor | | Descriptor: | 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, CHLORIDE ION, HIV Reverse transcriptase, ... | | Authors: | Lansdon, E.B, Mitchell, M.L. | | Deposit date: | 2010-01-06 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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3LAN
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor | | Descriptor: | 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION | | Authors: | Lansdon, E.B, Mitchell, M.L. | | Deposit date: | 2010-01-06 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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3LAM
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor | | Descriptor: | 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile, HIV Reverse transcriptase, SULFATE ION | | Authors: | Lansdon, E.B, Mitchell, M.L. | | Deposit date: | 2010-01-06 | | Release date: | 2010-02-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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7T75
 | | HIV-1 Envelope ApexGT2 in complex with RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT2 gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-28 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
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7T74
 | | HIV-1 Envelope ApexGT2 in complex with PCT64.35S Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT2 gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-28 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
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7T76
 | | HIV-1 Envelope ApexGT3 in complex with PG9.iGL Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT3 gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-28 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (4.43 Å) | | Cite: | Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
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7T77
 | | HIV-1 Envelope ApexGT3.N130 in complex with PG9 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT3.N130 gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-28 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (4.75 Å) | | Cite: | Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
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7T73
 | | HIV-1 Envelope ApexGT2.2MUT in complex with PCT64.LMCA Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV Envelope ApexGT2.2MUT gp120, ... | | Authors: | Berndsen, Z.T, Ward, A.B. | | Deposit date: | 2021-12-14 | | Release date: | 2022-09-28 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
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7TI6
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2LTJ
 | | Conformational analysis of StrH, the surface-attached exo- beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae | | Descriptor: | Beta-N-acetylhexosaminidase | | Authors: | Pluvinage, B, Chitayat, S, Ficko-Blean, E, Abbott, D, Kunjachen, J, Grondin, J, Spencer, H, Smith, S, Boraston, A. | | Deposit date: | 2012-05-28 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Conformational analysis of StrH, the surface-attached exo-beta-D-N-acetylglucosaminidase from Streptococcus pneumoniae.
J.Mol.Biol., 425, 2013
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8VFV
 | | HIV Env BG505_MD39_B16 SOSIP boosting trimer in complex with B16_d77.5 mouse Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B16_d77.5 mouse Fab heavy chain Fv, ... | | Authors: | Ozorowski, G, Torres, J.L, Ward, A.B. | | Deposit date: | 2023-12-22 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
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8F92
 | | HIV Env BG505_MD39_B11 SOSIP boosting trimer in complex with B11_d77.7 mouse Fab and RM20A3 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B11_d77.7 Fab heavy chain, ... | | Authors: | Torres, J.L, Ozorowski, G, Ward, A.B. | | Deposit date: | 2022-11-23 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies.
Science, 384, 2024
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