7DRJ
 
 | | Crystal structure of phosphatidylglycerol phosphate synthase in complex with phosphatidylglycerol phosphate | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,4-BUTANEDIOL, ACETIC ACID, ... | | Authors: | Yang, B.W, Liu, Z.F. | | Deposit date: | 2020-12-28 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The phosphatidylglycerol phosphate synthase PgsA utilizes a trifurcated amphipathic cavity for catalysis at the membrane-cytosol interface.
Curr Res Struct Biol, 3, 2021
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8U1W
 | | Structure of Norovirus (Hu/GII.4/Sydney/NSW0514/2012/AU) protease bound to inhibitor NV-004 | | Descriptor: | ACETATE ION, GLYCEROL, Peptidase C37, ... | | Authors: | Eruera, A.R, Campbell, A.C, Krause, K.L. | | Deposit date: | 2023-09-03 | | Release date: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystal Structure of Inhibitor-Bound GII.4 Sydney 2012 Norovirus 3C-Like Protease.
Viruses, 15, 2023
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8UJY
 | | Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8) | | Descriptor: | (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5 | | Authors: | Zhao, B, Amporndanai, K, Fesik, S.W. | | Deposit date: | 2023-10-11 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
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8U1V
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8UQZ
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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8UQX
 | | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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8UQW
 | | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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8UQY
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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8UPN
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8UPQ
 | | Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3-dihydroxy-3-isovalerate. | | Descriptor: | (2R)-2,3-dihydroxy-3-methylbutanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION | | Authors: | Lin, X, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2023-10-23 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
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8V2F
 | | Crystal structure of IRAK4 kinase domain with compound 9 | | 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: | 2023-11-22 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.09 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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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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8XJG
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8UPP
 | | Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704 | | Descriptor: | (2R)-(dimethylphosphoryl)(hydroxy)acetic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Lin, X, Lv, Y, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2023-10-23 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
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6DWV
 | | Crystal structure of the LigJ Hydratase in the Apo state | | Descriptor: | 4-oxalomesaconate hydratase, ZINC ION | | Authors: | Mabanglo, M.F, Raushel, F.M. | | Deposit date: | 2018-06-28 | | Release date: | 2018-10-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
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7JGI
 | | NMR structure of the cNTnC-cTnI chimera bound to A7 | | Descriptor: | 7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid, CALCIUM ION, Troponin C, ... | | Authors: | Cai, F, Robertson, I.M, Kampourakis, T, Klein, B.A, Sykes, B.D. | | Deposit date: | 2020-07-19 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Role of Electrostatics in the Mechanism of Cardiac Thin Filament Based Sensitizers.
Acs Chem.Biol., 15, 2020
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4D2M
 | | Vaccinia Virus F1L bound to Bim BH3 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, BCL-2-LIKE PROTEIN 11, CHLORIDE ION, ... | | Authors: | Kvansakul, M, Colman, P.M. | | Deposit date: | 2014-05-12 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insight Into Bh3-Domain Binding of Vaccinia Virus Anti-Apoptotic F1L.
J.Virol., 88, 2014
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4D2L
 | | Vaccinia Virus F1L bound to Bak BH3 | | Descriptor: | BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, PROTEIN F1L | | Authors: | Kvansakul, M, Colman, P.M. | | Deposit date: | 2014-05-12 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.903 Å) | | Cite: | Structural Insight Into Bh3-Domain Binding of Vaccinia Virus Anti-Apoptotic F1L.
J.Virol., 88, 2014
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6DXQ
 | | Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate | | Descriptor: | (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION | | Authors: | Mabanglo, M.F, Raushel, F.M. | | Deposit date: | 2018-06-29 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
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5OLX
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5OLW
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7EMW
 | | Crystal Structure of the HasAp V37G/K59Q Mutant Capturing Iron Tetraphenylporphyrin | | Descriptor: | GLYCEROL, Heme acquisition protein HasAp, [5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron | | Authors: | Shisaka, Y, Sakakibara, E, Sugimoto, H, Shoji, O. | | Deposit date: | 2021-04-14 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022
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7EMQ
 | | Crystal Structure of HasAp Capturing Manganese Tetraphenylporphyrin | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ... | | Authors: | Shisaka, Y, Sakakibara, E, Sugimoto, H, Shoji, O. | | Deposit date: | 2021-04-14 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022
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7EMP
 | | Crystal Structure of HasAp Capturing Chromium Tetraphenylporphyrin | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ... | | Authors: | Shisaka, Y, Sakakibara, E, Sugimoto, H, Shoji, O. | | Deposit date: | 2021-04-14 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Tetraphenylporphyrin Enters the Ring: First Example of a Complex between Highly Bulky Porphyrins and a Protein.
Chembiochem, 23, 2022
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