1YGT
 
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1DKZ
 | | THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 NATIVE CRYSTALS | | Descriptor: | SUBSTRATE BINDING DOMAIN OF DNAK, SUBSTRATE PEPTIDE (7 RESIDUES) | | Authors: | Zhu, X, Zhao, X, Burkholder, W.F, Gragerov, A, Ogata, C.M, Gottesman, M.E, Hendrickson, W.A. | | Deposit date: | 1996-06-03 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of substrate binding by the molecular chaperone DnaK.
Science, 272, 1996
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8FM0
 | | HIV-1 gp120 complex with CJF-III-214 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FM4
 | | HIV-1 gp120 complex with CJF-IV-047 | | Descriptor: | 2,2,2-trifluoroethyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120 | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FLZ
 | | HIV-1 gp120 complex with CJF-III-049-S | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FM5
 | | HIV-1 gp120 complex with DY-III-065 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, Envelope glycoprotein gp120 | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FM7
 | | HIV-1 gp120 complex with CJF-III-192 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, benzyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FLY
 | | HIV-1 gp120 complex with BNM-III-170 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FM2
 | | HIV-1 gp120 complex with CJF-III-289 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, IMIDAZOLE, ... | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FM3
 | | HIV-1 gp120 complex with CJF-III-288 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, propyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8FM8
 | | HIV-1 gp120 complex with CJF-IV-046 | | Descriptor: | (pentafluorophenyl)methyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
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1DKX
 | | THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 SELENOMETHIONYL CRYSTALS | | Descriptor: | SUBSTRATE BINDING DOMAIN OF DNAK, SUBSTRATE PEPTIDE (7 RESIDUES) | | Authors: | Zhu, X, Zhao, X, Burkholder, W.F, Gragerov, A, Ogata, C.M, Gottesman, M.E, Hendrickson, W.A. | | Deposit date: | 1996-06-03 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of substrate binding by the molecular chaperone DnaK.
Science, 272, 1996
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1DKY
 | | THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 2 NATIVE CRYSTALS | | Descriptor: | DNAK, PEPTIDE SUBSTRATE | | Authors: | Zhu, X, Zhao, X, Burkholder, W.F, Gragerov, A, Ogata, C.M, Gottesman, M.E, Hendrickson, W.A. | | Deposit date: | 1996-06-03 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural analysis of substrate binding by the molecular chaperone DnaK.
Science, 272, 1996
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7TJP
 | | HIV-1 gp120 complex with CJF-II-195 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ... | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-01-16 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
Acs Medicinal Chemistry Letters, 14, 2023
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7TJO
 | | HIV-1 gp120 complex with CJF-II-197-S | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ... | | Authors: | Gong, Z, Hendrickson, W.A. | | Deposit date: | 2022-01-16 | | Release date: | 2023-01-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
ACS Medicinal Chemistry Letters, 14, 2023
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5D92
 | | Structure of a phosphatidylinositolphosphate (PIP) synthase from Renibacterium Salmoninarum | | Descriptor: | 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, AF2299 protein,Phosphatidylinositol synthase, MAGNESIUM ION, ... | | Authors: | Clarke, O.B, Tomasek, D.T, Jorge, C.D, Belcher Dufrisne, M, Kim, M, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Santos, H, Mancia, F. | | Deposit date: | 2015-08-18 | | Release date: | 2015-11-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | Structural basis for phosphatidylinositol-phosphate biosynthesis.
Nat Commun, 6, 2015
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3VA9
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3V9F
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7KZI
 | | Intermediate state (QQQ) of near full-length DnaK alternatively fused with a substrate peptide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide, ... | | Authors: | Wang, W, Hendrickson, W.A. | | Deposit date: | 2020-12-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Intermediates in allosteric equilibria of DnaK-ATP interactions with substrate peptides
Acta Crystallogr.,Sect.D, 77, 2021
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7KZU
 | | Quasi-intermediate state (Q) of a truncated Hsp70 DnaK fused with a substrate peptide | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide,Chaperone protein DnaK fused with substrate peptide, GLYCEROL, ... | | Authors: | Wang, W, Hendrickson, W.A. | | Deposit date: | 2020-12-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Intermediates in allosteric equilibria of DnaK-ATP interactions with substrate peptides
Acta Crystallogr.,Sect.D, 77, 2021
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3VA6
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7KRW
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7KO2
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7KRU
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7KRV
 | | Stimulating state of disulfide-bridged Hsp70 DnaK | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK fused with substrate peptide, MAGNESIUM ION, ... | | Authors: | Wang, W, Hendrickson, W.A. | | Deposit date: | 2020-11-20 | | Release date: | 2021-09-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Conformational equilibria in allosteric control of Hsp70 chaperones.
Mol.Cell, 81, 2021
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