4JKK
 
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4KLB
 | | Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176 | | 分子名称: | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain | | 著者 | Fernandes, W.B, Montanari, C.A, Mckerrow, J.H. | | 登録日 | 2013-05-07 | | 公開日 | 2013-09-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay.
Plos Negl Trop Dis, 7, 2013
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4KTD
 | | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE136, from non-human primate | | 分子名称: | GE136 Heavy Chain Fab, GE136 Light Chain Fab, GLYCEROL, ... | | 著者 | Poulsen, C, Tran, K, Standfield, R, Wyatt, R.T. | | 登録日 | 2013-05-20 | | 公開日 | 2014-02-05 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4KSD
 | | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | | 分子名称: | Multidrug resistance protein 1A, R2 protein | | 著者 | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | | 登録日 | 2013-05-17 | | 公開日 | 2013-07-31 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (4.1001 Å) | | 主引用文献 | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4KSC
 | | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | | 分子名称: | Multidrug resistance protein 1A | | 著者 | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | | 登録日 | 2013-05-17 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4GSD
 | | H5.3 Fab Structure | | 分子名称: | H5.3 Fab Heavy Chain, H5.3 Fab Light Chain | | 著者 | Spiller, B.W, Winarski, K.L. | | 登録日 | 2012-08-27 | | 公開日 | 2013-08-21 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses.
J.Clin.Invest., 123, 2013
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4KSB
 | | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain | | 分子名称: | Multidrug resistance protein 1A | | 著者 | Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G. | | 登録日 | 2013-05-17 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.8001 Å) | | 主引用文献 | Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4HQU
 | | Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5) | | 分子名称: | MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ... | | 著者 | Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C. | | 登録日 | 2012-10-26 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4I54
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4KT3
 | | Structure of a type VI secretion system effector-immunity complex from Pseudomonas protegens | | 分子名称: | Putative lipoprotein, Uncharacterized protein | | 著者 | Whitney, J.C, Chou, S, Gardiner, T.E, Mougous, J.D. | | 登録日 | 2013-05-19 | | 公開日 | 2013-07-31 | | 最終更新日 | 2013-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4362 Å) | | 主引用文献 | Identification, Structure, and Function of a Novel Type VI Secretion Peptidoglycan Glycoside Hydrolase Effector-Immunity Pair.
J.Biol.Chem., 288, 2013
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4KTE
 | | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate | | 分子名称: | GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ... | | 著者 | Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T. | | 登録日 | 2013-05-20 | | 公開日 | 2014-02-05 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5ESV
 | | Crystal Structure of Broadly Neutralizing Antibody CH03, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade C Superinfecting Strain of Donor CAP256. | | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 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 | Gorman, J, Yang, M, Kwong, P.D. | | 登録日 | 2015-11-17 | | 公開日 | 2015-12-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.105 Å) | | 主引用文献 | Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design.
Nat.Struct.Mol.Biol., 23, 2016
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5F4R
 | | HIV-1 gp120 complex with BNW-IV-147 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ... | | 著者 | Liang, S, Hendrickson, W.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
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5EXG
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5F4P
 | | HIV-1 gp120 complex with BNM-III-170 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | | 著者 | Liang, S, Hendrickson, W.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
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5EWI
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5F4L
 | | HIV-1 gp120 complex with JP-III-048 | | 分子名称: | ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | | 著者 | Liang, S, Hendrickson, W.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-03-30 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
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9BA5
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9BA4
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5F4U
 | | HIV-1 gp120 complex with BNM-IV-197 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide | | 著者 | Liang, S, Hendrickson, W.A. | | 登録日 | 2015-12-03 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
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5ESZ
 | | Crystal Structure of Broadly Neutralizing Antibody CH04, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade AE Strain A244 | | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH04 Heavy Chain, ... | | 著者 | Gorman, J, Yang, M, Kwong, P.D. | | 登録日 | 2015-11-17 | | 公開日 | 2015-12-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (4.191 Å) | | 主引用文献 | Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design.
Nat. Struct. Mol. Biol., 23, 2016
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5F96
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5FBN
 | | BTK kinase domain with inhibitor 1 | | 分子名称: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | 著者 | Raaijmakers, H.C.A, Vu-Pham, D. | | 登録日 | 2015-12-14 | | 公開日 | 2016-02-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
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5F9W
 | | Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ... | | 著者 | Chen, L, Zhou, T, Kwong, P.D. | | 登録日 | 2015-12-10 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8911 Å) | | 主引用文献 | Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
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5FBO
 | | BTK-inhibitor co-structure | | 分子名称: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | | 著者 | Fischmann, T.O. | | 登録日 | 2015-12-14 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.894 Å) | | 主引用文献 | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
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