7M9J
 
 | | HIV-1 Protease WT (NL4-3) in Complex with LR3-68 | | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | | 主引用文献 | HIV-1 Protease in Complex with ligands
To Be Published
|
|
7VEI
 | | Neutron structure of D2O-solvent lysozyme | | 分子名称: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | 著者 | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | | 登録日 | 2021-09-08 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | NEUTRON DIFFRACTION (2 Å) | | 主引用文献 | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
7MA1
 | | HIV-1 Protease (I84V) in Complex with GRL-98065 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.848 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with GRL-98065
To Be Published
|
|
6DUJ
 | |
7MA0
 | | HIV-1 Protease (I84V) in Complex with LR2-91 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with LR2-91
To Be Published
|
|
7MA2
 | | HIV-1 Protease (I84V) in Complex with a Darunavir Derivative | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.869 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with a Darunavir Derivative
To Be Published
|
|
7M9Z
 | | HIV-1 Protease (I84V) in Complex with TMC-126 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.828 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with TMC-126
To Be Published
|
|
6LL3
 | |
7DER
 | | Lysozyme alone in H2O | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | | 著者 | Tanaka, I, Chatake, T. | | 登録日 | 2020-11-04 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Recent structural insights into the mechanism of lysozyme hydrolysis.
Acta Crystallogr D Struct Biol, 77, 2021
|
|
6B1M
 | |
4PZY
 | | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | | 分子名称: | 2-chloro-1-(1H-indol-3-yl)ethanone, GUANOSINE-5'-DIPHOSPHATE, K-Ras, ... | | 著者 | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | | 登録日 | 2014-03-31 | | 公開日 | 2014-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand.
J.Biomol.Nmr, 60, 2014
|
|
7DCZ
 | | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-4H-1,3-thiazin-4-yl]-4- fluorophenyl}-5-cyanopyridine-2-carboxamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Koriyama, Y, Hori, A, Ito, H, Yonezawa, S, Baba, Y, Tanimoto, N, Ueno, T, Yamamoto, S, Yamamoto, T, Asada, N, Morimoto, K, Einaru, S, Sakai, K, Kanazu, T, Matsuda, A, Yamaguchi, Y, Oguma, T, Timmers, M, Tritsmans, L, Kusakabe, K.I, Kato, A, Sakaguchi, G. | | 登録日 | 2020-10-27 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based beta-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial.
J.Med.Chem., 64, 2021
|
|
4PWN
 | | Crystal structure of Active WNK1 kinase | | 分子名称: | PHOSPHATE ION, Serine/threonine-protein kinase WNK1 | | 著者 | Piala, A, Moon, T, Akella, T, He, H, Cobbm, M.H, Goldsmith, E. | | 登録日 | 2014-03-20 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Chloride Sensing by WNK1 Involves Inhibition of Autophosphorylation.
Sci.Signal., 7, 2014
|
|
6B4W
 | | TTK in Complex with Inhibitor | | 分子名称: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK | | 著者 | Delker, S, Chamberlain, P.P. | | 登録日 | 2017-09-27 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
|
|
7MAH
 | | HIV-1 Protease (I84V) in Complex with PU4 (LR2-78) | | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.881 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with PU4 (LR2-78)
To Be Published
|
|
6DH0
 | | Crystal structure of HIV-1 Protease NL4-3 I84V Mutant in complex with darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.899 Å) | | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
|
|
7MAB
 | | HIV-1 Protease (I84V) in Complex with GS-8374 | | 分子名称: | DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2021-03-31 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.879 Å) | | 主引用文献 | HIV-1 Protease (I84V) in Complex with GS-8374
To Be Published
|
|
6DWQ
 | | Subtilisin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, KerA, ... | | 著者 | Luo, M, Eaton, C.N, Phillips-Piro, C.M. | | 登録日 | 2018-06-27 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Paired Spectroscopic and Crystallographic Studies of Protease Active Sites
Chemistryselect, 4, 2019
|
|
6DH8
 | | Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with UMass6 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
|
|
5WZM
 | | Crystal structure of human secreted phospholipase A2 group IIE | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Hou, S, Xu, J, Xu, T, Liu, J. | | 登録日 | 2017-01-18 | | 公開日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE
Sci Rep, 7, 2017
|
|
6B7V
 | | Structure of hen egg-white lysozyme pre-treated with high-pressure homogenization at 120 MPa | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Morais, M.A.B, Nascimento, A.F.Z, Tominaga, C.Y, Cristianini, M, Tribst, A.A.L, Murakami, M.T. | | 登録日 | 2017-10-05 | | 公開日 | 2018-07-25 | | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | | 主引用文献 | How high pressure pre-treatments affect the function and structure of hen egg-white lysozyme
Innov Food Sci Emerg Technol, 47, 2018
|
|
4PYP
 | | Crystal structure of the human glucose transporter GLUT1 | | 分子名称: | Solute carrier family 2, facilitated glucose transporter member 1, nonyl beta-D-glucopyranoside | | 著者 | Deng, D, Yan, C.Y, Xu, C, Wu, J.P, Sun, P.C, Hu, M.X, Yan, N. | | 登録日 | 2014-03-27 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.166 Å) | | 主引用文献 | Crystal structure of the human glucose transporter GLUT1
Nature, 510, 2014
|
|
4PZ5
 | |
6B6O
 | |
7MBJ
 | |
