5Y8Y
 
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-21 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
7WOS
 | | The state 3 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 実験手法 | ELECTRON MICROSCOPY (3.91 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
4P6X
 | | Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain | | 分子名称: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Glucocorticoid receptor, Nuclear receptor coactivator 2 | | 著者 | He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E. | | 登録日 | 2014-03-25 | | 公開日 | 2014-04-16 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
|
|
7WOQ
 | | The state 1 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOU
 | | The state 4 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
6BBU
 | | Crystal Structure of JAK1 in complex with compound 25 | | 分子名称: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK1 | | 著者 | Han, S. | | 登録日 | 2017-10-19 | | 公開日 | 2018-01-17 | | 最終更新日 | 2018-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
|
|
7WOP
 | | The local refined map of Omicron spike with bispecific antibody FD01 | | 分子名称: | 16L9, GW01, Spike protein S1 | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 実験手法 | ELECTRON MICROSCOPY (3.51 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOR
 | | The state 2 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOV
 | | The state 5 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ... | | 著者 | Zhang, X, Zhan, W.Q, Sun, L, Chen, Z.G. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7WOW
 | | The state 6 of Omicron Spike with bispecific antibody FD01 | | 分子名称: | 16L9 Fv, GW01 Fv, Spike glycoprotein | | 著者 | Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L. | | 登録日 | 2022-01-22 | | 公開日 | 2022-11-30 | | 実験手法 | ELECTRON MICROSCOPY (6.11 Å) | | 主引用文献 | Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
|
|
7SO7
 | |
7SO5
 | |
5WPZ
 | |
6PBM
 | | Pseudopaline Dehydrogenase with NADP+ bound | | 分子名称: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase | | 著者 | McFarlane, J.S, Lamb, A.L. | | 登録日 | 2019-06-14 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
|
|
8D9N
 | | CryoEM structures of bAE1 captured in multiple states. | | 分子名称: | Anion exchange protein | | 著者 | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | | 登録日 | 2022-06-10 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
|
|
6BBV
 | | Crystal Structure of JAK2 in complex with compound 25 | | 分子名称: | N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Han, S. | | 登録日 | 2017-10-19 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
|
|
7NXJ
 | | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | | 分子名称: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | 著者 | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
|
|
7NXK
 | | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | | 分子名称: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | | 著者 | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
|
|
4R6V
 | | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations | | 分子名称: | Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION | | 著者 | Huang, Z, Mohammadi, M. | | 登録日 | 2014-08-26 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.353 Å) | | 主引用文献 | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
5Y8C
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-21 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
5I8G
 | | CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | | 分子名称: | (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Murray, J.M. | | 登録日 | 2016-02-18 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
|
|
7B3N
 | | AmiP amidase-3 from Thermus parvatiensis | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cell wall hydrolase, ... | | 著者 | Freitag-Pohl, S, Pohl, E. | | 登録日 | 2020-12-01 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.793 Å) | | 主引用文献 | AmiP from hyperthermophilic Thermus parvatiensis prophage is a thermoactive and ultrathermostable peptidoglycan lytic amidase.
Protein Sci., 32, 2023
|
|
6PBP
 | | Pseudopaline Dehydrogenase with (S)-Pseudopaline Soaked 1 hour | | 分子名称: | 1,2-ETHANEDIOL, N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | McFarlane, J.S, Lamb, A.L. | | 登録日 | 2019-06-14 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
|
|
8GTK
 | |
8OWG
 | | Crystal structure of D1228V c-MET bound by compound 2 | | 分子名称: | 5-[3,5-bis(fluoranyl)phenyl]-1-[(1S)-1-phenylethyl]pyrimidine-2,4-dione, Hepatocyte growth factor receptor | | 著者 | Collie, G.W. | | 登録日 | 2023-04-27 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.631 Å) | | 主引用文献 | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
|
|
