6AGG
| |
3VF7
| Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031 | 分子名称: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | 登録日 | 2012-01-09 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
|
|
3VFA
| Crystal Structure of HIV-1 Protease Mutant V82A with novel P1'-Ligands GRL-02031 | 分子名称: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, SODIUM ION, ... | 著者 | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | 登録日 | 2012-01-09 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
|
|
3VFB
| Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031 | 分子名称: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | 登録日 | 2012-01-09 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
|
|
7YUF
| apo human SPNS2 | 分子名称: | NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ... | 著者 | He, Y, Duan, Y. | 登録日 | 2022-08-17 | 公開日 | 2023-09-06 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | Structural basis of Sphingosine-1-phosphate transport via human SPNS2. Cell Res., 34, 2024
|
|
7YUD
| FTY720p-bound human SPNS2 | 分子名称: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, NbFab L-chain, NbFab-H-chain, ... | 著者 | He, Y, Duan, Y. | 登録日 | 2022-08-17 | 公開日 | 2023-09-06 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | 主引用文献 | Structural basis of Sphingosine-1-phosphate transport via human SPNS2. Cell Res., 34, 2024
|
|
4MMJ
| crystal structure of YafQ from E.coli strain BL21(DE3) | 分子名称: | Addiction module toxin, RelE/StbE family, SULFATE ION | 著者 | Liang, Y, Gao, Z, Liu, Q, Dong, Y. | 登録日 | 2013-09-09 | 公開日 | 2014-06-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ J.Biol.Chem., 289, 2014
|
|
4FFV
| Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab | 分子名称: | 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4 | 著者 | Wang, Z, Sudom, A, Walker, N.P, Min, X. | 登録日 | 2012-06-01 | 公開日 | 2012-12-12 | 最終更新日 | 2021-05-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
|
|
8UAC
| CATHEPSIN L IN COMPLEX WITH AC1115 | 分子名称: | Cathepsin L, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | 著者 | Chao, A, DuPrez, K.T, Han, F.Q. | 登録日 | 2023-09-20 | 公開日 | 2024-02-07 | 最終更新日 | 2024-08-21 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Olgotrelvir, a dual inhibitor of SARS-CoV-2 M pro and cathepsin L, as a standalone antiviral oral intervention candidate for COVID-19. Med, 5, 2024
|
|
4R89
| Crystal structure of paFAN1 - 5' flap DNA complex with Manganase | 分子名称: | DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*AP*C)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ... | 著者 | Cho, Y, Gwon, G.H, Kim, Y.R. | 登録日 | 2014-08-30 | 公開日 | 2014-10-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (4.002 Å) | 主引用文献 | Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1 Genes Dev., 28, 2014
|
|
7RPK
| Cryo-EM structure of murine Dispatched in complex with Sonic hedgehog | 分子名称: | (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A. | 登録日 | 2021-08-03 | 公開日 | 2021-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | 主引用文献 | Dispatched uses Na + flux to power release of lipid-modified Hedgehog. Nature, 599, 2021
|
|
7RPJ
| Cryo-EM structure of murine Dispatched NNN mutant | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1 | 著者 | Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A. | 登録日 | 2021-08-03 | 公開日 | 2021-10-27 | 最終更新日 | 2021-11-24 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Dispatched uses Na + flux to power release of lipid-modified Hedgehog. Nature, 599, 2021
|
|
7RPH
| Cryo-EM structure of murine Dispatched 'R' conformation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ... | 著者 | Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A. | 登録日 | 2021-08-03 | 公開日 | 2021-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Dispatched uses Na + flux to power release of lipid-modified Hedgehog. Nature, 599, 2021
|
|
7RPI
| Cryo-EM structure of murine Dispatched 'T' conformation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ... | 著者 | Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A. | 登録日 | 2021-08-03 | 公開日 | 2021-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Dispatched uses Na + flux to power release of lipid-modified Hedgehog. Nature, 599, 2021
|
|
3WSQ
| Structure of HER2 with an Fab | 分子名称: | Antibody Heavy Chain, Antibody Light Chain, Receptor tyrosine-protein kinase erbB-2 | 著者 | Fu, W.Y, Wang, Y.X, Zhou, L.J. | 登録日 | 2014-03-20 | 公開日 | 2015-03-25 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Insights into HER2 signaling from step-by-step optimization of anti-HER2 antibodies. MAbs, 6, 2014
|
|
4R8A
| Crystal structure of paFAN1 - 5' flap DNA complex | 分子名称: | DNA (5'-D(P*AP*CP*CP*AP*GP*AP*CP*AP*CP*AP*CP*AP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*A)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ... | 著者 | Cho, Y, Gwon, G.H, Kim, Y.R. | 登録日 | 2014-08-30 | 公開日 | 2014-10-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Crystal structure of a Fanconi anemia-associated nuclease homolog bound to 5' flap DNA: basis of interstrand cross-link repair by FAN1 Genes Dev., 28, 2014
|
|
4N70
| Pim1 Complexed with a pyridylcarboxamide | 分子名称: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | 登録日 | 2013-10-14 | 公開日 | 2013-11-06 | 最終更新日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
|
|
4N6Y
| Pim1 Complexed with a phenylcarboxamide | 分子名称: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | 登録日 | 2013-10-14 | 公開日 | 2013-11-06 | 最終更新日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
|
|
4K5Q
| |
4K6K
| Crystal structure of CALB mutant D223G from Candida antarctica | 分子名称: | 1,2-ETHANEDIOL, Lipase B | 著者 | An, J, Xie, Y, Feng, Y, Wu, G. | 登録日 | 2013-04-16 | 公開日 | 2014-01-29 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Enhanced enzyme kinetic stability by increasing rigidity within the active site. J.Biol.Chem., 289, 2014
|
|
5GMZ
| Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | 分子名称: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | 著者 | Xu, Z.H, Zhou, Z. | 登録日 | 2016-07-18 | 公開日 | 2016-08-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors J.Med.Chem., 59, 2016
|
|
6A0Z
| Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ... | 著者 | Li, S, Li, T. | 登録日 | 2018-06-06 | 公開日 | 2018-06-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.329 Å) | 主引用文献 | Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus. J. Virol., 92, 2018
|
|
4N6Z
| Pim1 Complexed with a pyridylcarboxamide | 分子名称: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | 登録日 | 2013-10-14 | 公開日 | 2013-11-06 | 最終更新日 | 2014-07-02 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
|
|
7MLB
| |
7MLI
| |