8F22
 
 | |
6CHE
 | |
6C9O
 | |
8ACL
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GC-14 | | 分子名称: | (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
|
|
8ACD
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | 分子名称: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
|
|
6CNE
 | | Selenomethionine variant (V29SeM) of protein GB1 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin G-binding protein G, PHOSPHATE ION | | 著者 | Chen, Q. | | 登録日 | 2018-03-08 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | 77Se NMR Probes the Protein Environment of Selenomethionine.
J.Phys.Chem.B, 124, 2020
|
|
4QND
 | | Crystal structure of a SemiSWEET | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Chemical transport protein, ... | | 著者 | Yan, X, Yuyong, T, Liang, F, Perry, K. | | 登録日 | 2014-06-17 | | 公開日 | 2014-09-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Structures of bacterial homologues of SWEET transporters in two distinct conformations.
Nature, 515, 2014
|
|
3BM3
 | | Restriction endonuclease PspGI-substrate DNA complex | | 分子名称: | CITRIC ACID, DNA (5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3'), ... | | 著者 | Szczepanowski, R.H, Carpenter, M, Czapinska, H, Tamulaitis, G, Siksnys, V, Bhagwat, A, Bochtler, M. | | 登録日 | 2007-12-12 | | 公開日 | 2008-09-16 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A direct crystallographic demonstration that Type II restriction endonuclease PspGI flips nucleotides
To be Published
|
|
6U2U
 | |
2Q7M
 | | Crystal structure of human FLAP with MK-591 | | 分子名称: | 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein | | 著者 | Ferguson, A.D. | | 登録日 | 2007-06-07 | | 公開日 | 2007-08-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (4.25 Å) | | 主引用文献 | Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007
|
|
7YD2
 | | SulE_P44R_S209A | | 分子名称: | 2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Alpha/beta fold hydrolase, ... | | 著者 | Liu, B, Ran, T, Wang, W, He, J. | | 登録日 | 2022-07-03 | | 公開日 | 2023-07-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
7Y0L
 | | SulE-S209A | | 分子名称: | Alpha/beta fold hydrolase, GLYCEROL, METHYL 2-[({[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | | 著者 | Liu, B, Ran, T, He, J, Wang, W. | | 登録日 | 2022-06-05 | | 公開日 | 2023-08-02 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity.
Nat Commun, 14, 2023
|
|
3DS6
 | | P38 complex with a phthalazine inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | | 著者 | Herberich, B, Syed, R, Li, V, Grosfeld, D. | | 登録日 | 2008-07-11 | | 公開日 | 2008-10-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
|
|
3DT1
 | | P38 Complexed with a quinazoline inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | | 著者 | Herberich, B, Syed, R, Li, V, Tasker, A.S. | | 登録日 | 2008-07-14 | | 公開日 | 2008-10-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
|
|
2Q7R
 | | Crystal structure of human FLAP with an iodinated analog of MK-591 | | 分子名称: | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein | | 著者 | Ferguson, A.D. | | 登録日 | 2007-06-07 | | 公開日 | 2007-08-21 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein.
Science, 317, 2007
|
|
6MGN
 | | mouse Id1 (51-104) - human hE47 (348-399) complex | | 分子名称: | DNA-binding protein inhibitor ID-1, Transcription factor E2-alpha | | 著者 | Benezra, R, Pavletich, N.P, Gall, A.-L, Goldgur, Y. | | 登録日 | 2018-09-14 | | 公開日 | 2019-09-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
|
|
6MGM
 | |
6MX3
 | | Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 1 | | 分子名称: | (3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, CALCIUM ION, Stimulator of interferon genes protein | | 著者 | Lesburg, C.A, Siu, T, Ho, T. | | 登録日 | 2018-10-30 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.362 Å) | | 主引用文献 | Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
|
|
6MXE
 | | Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 18 | | 分子名称: | CALCIUM ION, Stimulator of interferon genes protein, [(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid | | 著者 | Lesburg, C.A, Siu, T, Ho, T. | | 登録日 | 2018-10-30 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
|
|
6MX0
 | | Crystal structure of human STING apoprotein (G230A, H232R, R293Q) | | 分子名称: | CALCIUM ION, Stimulator of interferon genes protein | | 著者 | Lesburg, C.A, Siu, T, Ho, T. | | 登録日 | 2018-10-30 | | 公開日 | 2018-12-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Discovery of a Novel cGAMP Competitive Ligand of the Inactive Form of STING.
ACS Med Chem Lett, 10, 2019
|
|
8W41
 | |
7RSM
 | |
5IND
 | | Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection | | 分子名称: | Beta-2-microglobulin, GLN-ALA-SER-GLN-ASP-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ... | | 著者 | Li, X, Wang, J.-H. | | 登録日 | 2016-03-07 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.132 Å) | | 主引用文献 | Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection.
Protein Cell, 7, 2016
|
|
5INC
 | | Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection | | 分子名称: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ... | | 著者 | Li, X, Wang, J.-H. | | 登録日 | 2016-03-07 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.881 Å) | | 主引用文献 | Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection.
Protein Cell, 7, 2016
|
|
5ISM
 | | Human DPP4 in complex with a novel 5,5,6-tricyclic pyrrolidine inhibitor | | 分子名称: | (2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7H-pyrrolo[3',4':3,4]pyrazolo[1,5-a]pyrimidin-8(9H)-yl)oxan-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Scapin, G. | | 登録日 | 2016-03-15 | | 公開日 | 2016-05-11 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The discovery of novel 5,6,5- and 5,5,6-tricyclic pyrrolidines as potent and selective DPP-4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
