8V1O
 
 | | Crystal structure of IRAK4 kinase domain with compound 4 | | Descriptor: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-21 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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8V2L
 | | Crystal structure of IRAK4 kinase domain with compound 8 | | Descriptor: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | Deposit date: | 2023-11-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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3L37
 | | PIE12 D-peptide against HIV entry | | Descriptor: | GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
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3L2A
 | | Crystal structure of Reston Ebola VP35 interferon inhibitory domain | | Descriptor: | ACETIC ACID, GLYCEROL, Polymerase cofactor VP35 | | Authors: | Leung, D.W, Farahbakhsh, M, Borek, D.M, Prins, K.C, Basler, C.F, Amarasinghe, G.K. | | Deposit date: | 2009-12-14 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural and Functional Characterization of Reston Ebola Virus VP35 Interferon Inhibitory Domain.
J.Mol.Biol., 399, 2010
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3L35
 | | PIE12 D-peptide against HIV entry | | Descriptor: | GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
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3KWX
 | | Chemically modified Taka alpha-amylase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A type-1/2, CALCIUM ION | | Authors: | Siddiqui, K.S, Harrop, S.J, Poljak, A, De Francisci, D, Guerriero, G, Pilak, O, Burg, D, Raftery, M.J, Parkin, D.M, Trewhella, J, Cavicchioli, R. | | Deposit date: | 2009-12-01 | | Release date: | 2009-12-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Modified alpha-amylase with a molten-globule state has enhanced thermal stability
To be Published
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3L36
 | | PIE12 D-peptide against HIV entry | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
J.Virol., 84, 2010
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3L9R
 | | Crystal structure of bovine CD1b3 with endogenously bound ligands | | Descriptor: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M, Girardi, E. | | Deposit date: | 2010-01-05 | | Release date: | 2010-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of bovine CD1b3 with endogenously bound ligands.
J.Immunol., 185, 2010
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7P9K
 | | BrxU, GmrSD-family Type IV restriction enzyme | | Descriptor: | CHLORIDE ION, DUF262 domain-containing protein, GLYCEROL, ... | | Authors: | Picton, D.M, Luyten, Y, Morgan, R.D, Nelson, A, Smith, D.L, Dryden, D.T.F, Hinton, J.C.D, Blower, T.R. | | Deposit date: | 2021-07-27 | | Release date: | 2021-12-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | The phage defence island of a multidrug resistant plasmid uses both BREX and type IV restriction for complementary protection from viruses.
Nucleic Acids Res., 49, 2021
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7P9M
 | | BrxU, GmrSD-family Type IV restriction enzyme | | Descriptor: | CHLORIDE ION, DUF262 domain-containing protein, SULFATE ION | | Authors: | Picton, D.M, Luyten, Y, Morgan, R.D, Nelson, A, Smith, D.L, Dryden, D.T.F, Hinton, J.C.D, Blower, T.R. | | Deposit date: | 2021-07-27 | | Release date: | 2021-12-08 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | The phage defence island of a multidrug resistant plasmid uses both BREX and type IV restriction for complementary protection from viruses.
Nucleic Acids Res., 49, 2021
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3LP9
 | | Crystal structure of LS24, A Seed Albumin from Lathyrus sativus | | Descriptor: | CALCIUM ION, CHLORIDE ION, LS-24, ... | | Authors: | Gaur, V, Qureshi, I.A, Singh, A, Chanana, V, Salunke, D.M. | | Deposit date: | 2010-02-05 | | Release date: | 2010-02-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and functional insights of hemopexin fold protein from grass pea
Plant Physiol., 152, 2010
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7P2W
 | | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7P2X
 | | E.coli GyrB24 with inhibitor KOB20 (EBL2583) | | Descriptor: | (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Benek, O, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | E.coli GyrB24 with inhibitor KOB20 (EBL2583)
TO BE PUBLISHED
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7P2M
 | | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
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7P2N
 | | E.coli GyrB24 with inhibitor LSJ38 (EBL2684) | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens.
Acs Omega, 8, 2023
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3M8D
 | | Crystal structure of spin-labeled BtuB V10R1 with bound calcium and cyanocobalamin | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, CYANOCOBALAMIN, ... | | Authors: | Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2010-03-17 | | Release date: | 2010-09-15 | | Last modified: | 2021-08-18 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Conformational exchange in a membrane transport protein is altered in protein crystals.
Biophys.J., 99, 2010
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3MA7
 | | Crystal structure of Cardiolipin bound to mouse CD1D | | Descriptor: | (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M. | | Deposit date: | 2010-03-23 | | Release date: | 2011-03-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Cardiolipin Binds to CD1d and Stimulates CD1d-Restricted {gamma}{delta} T Cells in the Normal Murine Repertoire.
J.Immunol., 186, 2011
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3M8B
 | | Crystal structure of spin-labeled BtuB V10R1 in the apo state | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ... | | Authors: | Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2010-03-17 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Conformational exchange in a membrane transport protein is altered in protein crystals.
Biophys.J., 99, 2010
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8CAF
 | | N8C_Fab3b in complex with NEDD8-CUL1(WHB) | | Descriptor: | Cullin-1, Fab Heavy Chain, Fab Light Chain, ... | | Authors: | Duda, D.M, Yanishevski, D, Henneberg, L.T, Schulman, B.A. | | Deposit date: | 2023-01-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Activity-based profiling of cullin-RING E3 networks by conformation-specific probes.
Nat.Chem.Biol., 19, 2023
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8DRO
 | | LRRC8A:C conformation 1 (round) LRR focus 2 | | Descriptor: | Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562 | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-21 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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8DS9
 | | LRRC8A:C in MSPE3D1 nanodisc top focus | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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8DRA
 | | LRRC8A:C conformation 2 (oblong) LRR mask | | Descriptor: | Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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8DR8
 | | LRRC8A:C conformation 2 (oblong) top mask | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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8DRE
 | | LRRC8A:C conformation 2 (oblong) | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-20 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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8DRK
 | | LRRC8A:C conformation 1 (round) top focus | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C | | Authors: | Kern, D.M, Brohawn, S.G. | | Deposit date: | 2022-07-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023
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