3PKO
 
 | | Crystal structure of geranylgeranyl pyrophosphate synthase from lactobacillus brevis atcc 367 complexed with citrate | | 分子名称: | CITRIC ACID, GLYCEROL, Geranylgeranyl pyrophosphate synthase | | 著者 | Patskovsky, Y, Toro, R, Rutter, M, Chang, S, Sauder, J.M, Poulter, C.D, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2010-11-11 | | 公開日 | 2010-11-24 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
6O3U
 | |
4X2L
 | | Crystal structure of human BACE-1 bound to Compound 6 | | 分子名称: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Vajdos, F.F, Parris, K. | | 登録日 | 2014-11-26 | | 公開日 | 2015-03-04 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
|
|
3L15
 | |
6O3J
 | | Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA) | | 分子名称: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ... | | 著者 | Irimia, A, Wilson, I.A. | | 登録日 | 2019-02-26 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.416 Å) | | 主引用文献 | An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
|
|
4ZIU
 | | Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning the residues from domain MG7 to the C-terminus. | | 分子名称: | GLYCEROL, NICKEL (II) ION, Uncharacterized lipoprotein YfhM | | 著者 | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | 登録日 | 2015-04-28 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4ZJG
 | | Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning domains MG0-NIE-MG1. | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | 著者 | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | 登録日 | 2015-04-29 | | 公開日 | 2015-06-10 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4ZJH
 | | Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning domains NIE-MG1. | | 分子名称: | ACETATE ION, GLYCEROL, alpha-2-Macroglobulin | | 著者 | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, X.F. | | 登録日 | 2015-04-29 | | 公開日 | 2015-06-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
7CZG
 | | Crystal structure of FIP200 Claw domain apo form | | 分子名称: | DI(HYDROXYETHYL)ETHER, RB1-inducible coiled-coil protein 1 | | 著者 | Zhou, Z.X, Pan, L.F. | | 登録日 | 2020-09-08 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Phosphorylation regulates the binding of autophagy receptors to FIP200 Claw domain for selective autophagy initiation.
Nat Commun, 12, 2021
|
|
7BN3
 | |
6NMV
 | | Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | 分子名称: | Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | 著者 | Wibowo, A.S, Carter, J.J, Sim, J. | | 登録日 | 2019-01-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
|
|
6NMR
 | | Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | 分子名称: | Fab 119 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 119 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | 著者 | Wibowo, A.S, Carter, J.J, Sim, J. | | 登録日 | 2019-01-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
|
|
6NMT
 | | Non-Blocking Fab 3 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | 分子名称: | Fab 3 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 3 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | 著者 | Wibowo, A.S, Carter, J.J, Sim, J. | | 登録日 | 2019-01-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
|
|
6NMS
 | | Blocking Fab 136 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | 分子名称: | Fab 136 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 136 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | 著者 | Wibowo, A.S, Carter, J.J, Sim, J. | | 登録日 | 2019-01-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
|
|
6NMU
 | | Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1 | | 分子名称: | Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | | 著者 | Wibowo, A.S, Carter, J.J, Sim, J. | | 登録日 | 2019-01-11 | | 公開日 | 2019-08-07 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
|
|
6M4Z
 | |
7QDL
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with I-BET567 | | 分子名称: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | 著者 | Chung, C. | | 登録日 | 2021-11-27 | | 公開日 | 2022-12-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Design, Synthesis, and Characterization of I-BET567, a Pan-Bromodomain and Extra Terminal (BET) Bromodomain Oral Candidate.
J.Med.Chem., 65, 2022
|
|
7R26
 | | PI3K delta in complex with SD5 | | 分子名称: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | | 登録日 | 2022-02-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
|
|
7R2B
 | | PI3Kdelta in complex with an inhibitor | | 分子名称: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | | 登録日 | 2022-02-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
|
|
6NZV
 | | Crystal structure of HCV NS3/4A protease in complex with compound 12 | | 分子名称: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ... | | 著者 | Appleby, T.C, Taylor, J.G. | | 登録日 | 2019-02-14 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
|
|
7QNX
 | | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ... | | 著者 | Zhou, D, Ren, J, Stuart, D.I. | | 登録日 | 2021-12-23 | | 公開日 | 2022-01-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
|
|
4RLO
 | | Human p70s6k1 with ruthenium-based inhibitor EM5 | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Domsic, J.F, Barber-Rotenberg, J, Salami, J, Qin, J, Marmorstein, R. | | 登録日 | 2014-10-17 | | 公開日 | 2015-01-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.527 Å) | | 主引用文献 | Development of Organometallic S6K1 Inhibitors.
J.Med.Chem., 58, 2015
|
|
6ZWJ
 | | Neisseria gonorrhoeae transaldolase at 1.35 Angstrom resolution | | 分子名称: | CITRIC ACID, GLYCEROL, Transaldolase | | 著者 | Rabe von Pappenheim, F, Wensien, M, Sautner, V, Tittmann, K. | | 登録日 | 2020-07-28 | | 公開日 | 2021-03-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | A lysine-cysteine redox switch with an NOS bridge regulates enzyme function.
Nature, 593, 2021
|
|
8FQ7
 | | Nanobody with WIW inserted in CDR3 loop to Inhibit Growth of Alzheimer's Tau fibrils | | 分子名称: | GLYCEROL, Nanobody with WIW insert in CDR3 loop to target tau fibrils | | 著者 | Abskharon, R, Sawaya, M.R, Cascio, D.C, Eisenberg, D.S. | | 登録日 | 2023-01-05 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-based design of nanobodies that inhibit seeding of Alzheimer's patient-extracted tau fibrils.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6OBW
 | | CSP1-cyc(K6D10) | | 分子名称: | Competence-stimulating peptide type 1 | | 著者 | Yang, Y. | | 登録日 | 2019-03-21 | | 公開日 | 2020-01-08 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
