3HC9
 
 | | Ferric Horse Heart Myoglobin; H64V mutant | | 分子名称: | Myoglobin, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Yi, J, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2009-05-05 | | 公開日 | 2009-12-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron.
J.Am.Chem.Soc., 131, 2009
|
|
3HEN
 | |
3HEO
 | | Ferric Horse Heart Myoglobin; H64V/V67R mutant, Nitrite Modified | | 分子名称: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yi, J, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2009-05-09 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron.
J.Am.Chem.Soc., 131, 2009
|
|
3HEP
 | | Ferric Horse Heart Myoglobin; H64V Mutant, Nitrite Modified | | 分子名称: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Yi, J, Thomas, L.M, Richter-Addo, G.B. | | 登録日 | 2009-05-09 | | 公開日 | 2009-12-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron.
J.Am.Chem.Soc., 131, 2009
|
|
7KX5
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A | | 分子名称: | 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide | | 著者 | Sacco, M, Wang, J, Chen, Y. | | 登録日 | 2020-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
|
|
9ILV
 | |
5Z25
 | | Trimeric Alpha-Helix-Inserted Circular Permutant of Cytochrome c555 | | 分子名称: | Cytochrome c552, HEME C, TETRAETHYLENE GLYCOL | | 著者 | Oda, A, Nagao, S, Yamanaka, M, Ueda, I, Shibata, N, Higuchi, Y, Hirota, S. | | 登録日 | 2017-12-28 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Construction of a Triangle-Shaped Trimer and a Tetrahedron Using an alpha-Helix-Inserted Circular Permutant of Cytochrome c555.
Chem Asian J, 13, 2018
|
|
9ILP
 | |
9IOZ
 | | Structure of the bacteriophage T5 tail tip complex | | 分子名称: | Baseplate hub protein pb3, Baseplate tube protein p140, Distal tail protein pb9 | | 著者 | Peng, Y.N, Liu, H.R. | | 登録日 | 2024-07-10 | | 公開日 | 2024-09-04 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
|
|
9IMV
 | |
9INY
 | | Structure of bacteriophage T5 tail tube | | 分子名称: | Tail tube protein pb6 | | 著者 | Peng, Y.N, Liu, H.R. | | 登録日 | 2024-07-08 | | 公開日 | 2024-09-04 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structures of Mature and Urea-Treated Empty Bacteriophage T5: Insights into Siphophage Infection and DNA Ejection.
Int J Mol Sci, 25, 2024
|
|
9IMH
 | |
6JQ0
 | | CryoEM structure of Abo1 Walker B (E372Q) mutant hexamer - ATP complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized AAA domain-containing protein C31G5.19, ... | | 著者 | Cho, C, Jang, J, Song, J.J. | | 登録日 | 2019-03-28 | | 公開日 | 2019-12-25 | | 最終更新日 | 2020-01-01 | | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | | 主引用文献 | Structural basis of nucleosome assembly by the Abo1 AAA+ ATPase histone chaperone.
Nat Commun, 10, 2019
|
|
9FQI
 | | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | | 分子名称: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.954 Å) | | 主引用文献 | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
|
|
9FQJ
 | | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | | 分子名称: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.563 Å) | | 主引用文献 | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
|
|
9FQH
 | | E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) | | 分子名称: | 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.786 Å) | | 主引用文献 | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
|
|
3QTO
 | | Thrombin Inhibition by Pyridin Derivatives | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-02-23 | | 公開日 | 2012-02-29 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
|
|
3QX5
 | | Thrombin Inhibition by Pyridin Derivatives | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... | | 著者 | Biela, A, Heine, A, Klebe, G. | | 登録日 | 2011-03-01 | | 公開日 | 2012-03-07 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
|
|
7CID
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
|
|
7CI4
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
|
|
7CIC
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
|
|
7CI9
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
|
|
7CI5
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
|
|
7CIB
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
|
|
7CI7
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
|
|
