5T3S
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5TZN
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5VQW
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![BU of 5vqw by Molmil](/molmil-images/mine/5vqw) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Kudalkar, S.N, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VQR
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![BU of 5vqr by Molmil](/molmil-images/mine/5vqr) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacrylamide (JLJ684), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5VGJ
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![BU of 5vgj by Molmil](/molmil-images/mine/5vgj) | Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90, bound to a scaffolded WITO V1V2 domain | 分子名称: | 1FD6-V1V2-WITO, 2-acetamido-2-deoxy-beta-D-glucopyranose, VRC38.01 Fab Heavy Chain, ... | 著者 | Gorman, J, Li, J, Kwong, P.D. | 登録日 | 2017-04-11 | 公開日 | 2017-05-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.456 Å) | 主引用文献 | Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop. Immunity, 46, 2017
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5W42
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5VQX
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![BU of 5vqx by Molmil](/molmil-images/mine/5vqx) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5UM8
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![BU of 5um8 by Molmil](/molmil-images/mine/5um8) | Crystal structure of HIV-1 envelope trimer 16055 NFL TD CC (T569G) in complex with Fabs 35022 and PGT124 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 35022 heavy chain, ... | 著者 | Garces, F, Stanfield, R.L, Wilson, I.A. | 登録日 | 2017-01-26 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.935 Å) | 主引用文献 | Glycine Substitution at Helix-to-Coil Transitions Facilitates the Structural Determination of a Stabilized Subtype C HIV Envelope Glycoprotein. Immunity, 46, 2017
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5UXQ
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![BU of 5uxq by Molmil](/molmil-images/mine/5uxq) | Structure of anti-HIV trimer apex antibody PGT143 | 分子名称: | PGT143 Fab Heavy Chain, PGT143 Fab Light Chain | 著者 | Kong, L, Wilson, I.A. | 登録日 | 2017-02-23 | 公開日 | 2017-04-19 | 最終更新日 | 2019-12-11 | 実験手法 | X-RAY DIFFRACTION (2.415 Å) | 主引用文献 | A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic Beta-Hairpin Structure Immunity, 46, 2017
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5UY3
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![BU of 5uy3 by Molmil](/molmil-images/mine/5uy3) | Crystal structure of human Fab PGT144, a broadly reactive and potent HIV-1 neutralizing antibody | 分子名称: | Antibody PGT144 Fab heavy chain, Antibody PGT144 Fab light chain | 著者 | Julien, J.-P, Lee, J.H, Wilson, I.A. | 登録日 | 2017-02-23 | 公開日 | 2017-04-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic beta-Hairpin Structure. Immunity, 46, 2017
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5VFD
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![BU of 5vfd by Molmil](/molmil-images/mine/5vfd) | Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii | 分子名称: | (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ... | 著者 | Olivier, N.B, Lahiri, S. | 登録日 | 2017-04-07 | 公開日 | 2017-06-07 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii. Nat Microbiol, 2, 2017
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5VQS
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![BU of 5vqs by Molmil](/molmil-images/mine/5vqs) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.504 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TKK
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5VZR
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5VQU
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![BU of 5vqu by Molmil](/molmil-images/mine/5vqu) | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide (JLJ683), a Non-nucleoside Inhibitor | 分子名称: | N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-2-fluoro-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Petrova, Z.O, Chan, A.H, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5W6D
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![BU of 5w6d by Molmil](/molmil-images/mine/5w6d) | Crystal structure of BG505-SOSIP.v4.1-GT1-N137A in complex with Fabs 35022 and 9H/109L | 分子名称: | 109L FAB light chain, 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 | Garces, F, Stanfield, R.L, Wilson, I.A. | 登録日 | 2017-06-16 | 公開日 | 2017-07-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.202 Å) | 主引用文献 | Design and crystal structure of a native-like HIV-1 envelope trimer that engages multiple broadly neutralizing antibody precursors in vivo. J. Exp. Med., 214, 2017
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5VQT
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![BU of 5vqt by Molmil](/molmil-images/mine/5vqt) | Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)-N-methylacetamide (JLJ686), a Non-nucleoside Inhibitor | 分子名称: | 2-chloro-N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylacetamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | 著者 | Chan, A.H, Czyzyk, D.J, Anderson, K.S. | 登録日 | 2017-05-09 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.556 Å) | 主引用文献 | Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6BFX
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![BU of 6bfx by Molmil](/molmil-images/mine/6bfx) | BACE crystal structure with hydroxy pyrrolidine inhibitor | 分子名称: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-3-(3,5-difluorophenyl)-1-[(3R,5S,6R)-6-(2,2-dimethylpropoxy)-5-methylmorpholin-3-yl]-1-hydroxypropan-2-yl}acetamide | 著者 | Timm, D.E. | 登録日 | 2017-10-27 | 公開日 | 2017-11-15 | 最終更新日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
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6B98
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![BU of 6b98 by Molmil](/molmil-images/mine/6b98) | PDE2 in complex with compound 1 | 分子名称: | 6-chloro-N,1-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ZINC ION, ... | 著者 | Lu, J. | 登録日 | 2017-10-10 | 公開日 | 2017-11-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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6AXL
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![BU of 6axl by Molmil](/molmil-images/mine/6axl) | Crystal structure of Fab317 complex | 分子名称: | Fab317 heavy chain, Fab317 light chains, Peptide ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-NH2 | 著者 | Oyen, D, Wilson, I.A. | 登録日 | 2017-09-07 | 公開日 | 2017-11-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6BFE
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![BU of 6bfe by Molmil](/molmil-images/mine/6bfe) | BACE crystal structure with hydroxy pyrrolidine inhibitor | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | 著者 | Timm, D.E. | 登録日 | 2017-10-26 | 公開日 | 2017-11-15 | 最終更新日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
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6AXK
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![BU of 6axk by Molmil](/molmil-images/mine/6axk) | Crystal structure of Fab311 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN, Fab311 heavy chain, ... | 著者 | Oyen, D, Wilson, I.A. | 登録日 | 2017-09-07 | 公開日 | 2017-11-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.103 Å) | 主引用文献 | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6BFD
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![BU of 6bfd by Molmil](/molmil-images/mine/6bfd) | BACE crystal structure with hydroxy pyrrolidine inhibitor | 分子名称: | 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL | 著者 | Timm, D.E. | 登録日 | 2017-10-26 | 公開日 | 2017-11-15 | 最終更新日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
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6BFW
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![BU of 6bfw by Molmil](/molmil-images/mine/6bfw) | BACE crystal structure with hydroxy morpholine inhibitor | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | 著者 | Timm, D.E. | 登録日 | 2017-10-27 | 公開日 | 2017-11-15 | 最終更新日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
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6B96
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![BU of 6b96 by Molmil](/molmil-images/mine/6b96) | Crystal Structure of PDE2 in complex with compound 16 | 分子名称: | 1,2-ETHANEDIOL, 6-chloro-N-{1-[4-(trifluoromethyl)phenyl]cyclopropyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, MAGNESIUM ION, ... | 著者 | Lu, J. | 登録日 | 2017-10-10 | 公開日 | 2017-11-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design. Bioorg. Med. Chem. Lett., 27, 2017
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