5LW4
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4Q2Z
| Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE356, from a non-human primate | 分子名称: | Heavy chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, Light chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody | 著者 | Navis, M, Tran, K, Bale, S, Phad, G, Guenaga, J, Wilson, R, Soldemo, M, McKee, K, Sundling, C, Mascola, J, Li, Y, Wyatt, R.T, Hedestam, G.B.K. | 登録日 | 2014-04-10 | 公開日 | 2014-09-17 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | HIV-1 Receptor Binding Site-Directed Antibodies Using a VH1-2 Gene Segment Orthologue Are Activated by Env Trimer Immunization. Plos Pathog., 10, 2014
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5BRA
| Crystal Structure of a putative Periplasmic Solute binding protein (IPR025997) from Ochrobactrum Anthropi ATCC49188 (Oant_2843, TARGET EFI-511085) | 分子名称: | Putative periplasmic binding protein with substrate ribose | 著者 | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-05-30 | 公開日 | 2015-06-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.971 Å) | 主引用文献 | Crystal Structure of a putative Periplasmic Solute binding protein (IPR025997) from Ochrobactrum Anthropi ATCC49188(Oant_2843, TARGET EFI-511085) To be published
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7KKK
| SARS-CoV-2 Spike in complex with neutralizing nanobody Nb6 | 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, Spike glycoprotein, ... | 著者 | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | 登録日 | 2020-10-27 | 公開日 | 2020-11-11 | 最終更新日 | 2021-04-21 | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | 主引用文献 | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike. Science, 370, 2020
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7KOL
| The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496 inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ... | 著者 | Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-11-09 | 公開日 | 2020-11-18 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496 to be published
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7KWJ
| Spermidine N-acetyltransferase SpeG K23-Q34 chimera from Vibrio cholerae and hSSAT | 分子名称: | Spermidine N(1)-acetyltransferase | 著者 | Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L. | 登録日 | 2020-12-01 | 公開日 | 2020-12-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity. Front Mol Biosci, 8, 2021
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5M7R
| Structure of human O-GlcNAc hydrolase | 分子名称: | Protein O-GlcNAcase | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | 登録日 | 2016-10-28 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5MBD
| Structure of a bacterial light-regulated adenylyl cylcase | 分子名称: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | 登録日 | 2016-11-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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5AQI
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | ADENINE, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5AQK
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, DIMETHYL SULFOXIDE, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5M7T
| Structure of human O-GlcNAc hydrolase with PugNAc type inhibitor | 分子名称: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, Protein O-GlcNAcase | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | 登録日 | 2016-10-28 | 公開日 | 2017-03-29 | 最終更新日 | 2017-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5M8K
| Crystal structure of Eremococcus coleocola manganese transporter mutant E129Q | 分子名称: | Divalent metal cation transporter MntH | 著者 | Manatschal, C, Ehrnstorfer, I.A, Arnold, F.M, Laederach, J, Dutzler, R. | 登録日 | 2016-10-29 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Structural and mechanistic basis of proton-coupled metal ion transport in the SLC11/NRAMP family. Nat Commun, 8, 2017
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5AMN
| The Discovery of 2-Substituted Phenol Quinazolines as Potent and Selective RET Kinase Inhibitors | 分子名称: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | 著者 | Newton, R, Bowler, K, Burns, E.M, Chapman, P, Fairweather, E, Fritzl, S, Goldberg, K, Hamilton, N.M, Holt, S.V, Hopkins, G.V, Jones, S.D, Jordan, A.M, Lyons, A, McDonald, N.Q, Maguire, L.A, Mould, D.P, Purkiss, A.G, Small, H.F, Stowell, A, Thomson, G.J, Waddell, I.D, Waszkowycz, B, Watson, A.J, Ogilvie, D.J. | 登録日 | 2015-03-11 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity. Eur J Med Chem, 112, 2016
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5AP4
| Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | 分子名称: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, ... | 著者 | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | 登録日 | 2015-09-14 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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5MBJ
| Structure of a bacterial light-regulated adenylyl cyclase | 分子名称: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | 登録日 | 2016-11-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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5AQQ
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7-methylquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5MED
| Cyanothece lipoxygenase 2 (CspLOX2) | 分子名称: | 1,3-PROPANDIOL, 1,4-BUTANEDIOL, 1-BUTANOL, ... | 著者 | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | 登録日 | 2016-11-14 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation. Sci Rep, 7, 2017
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5AQR
| Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methoxyquinazolin-4-amine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ... | 著者 | Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M. | 登録日 | 2015-09-22 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms. Sci Rep, 6, 2016
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5MEZ
| Crystal structure of Smad4-MH1 bound to the GGCT site. | 分子名称: | CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ... | 著者 | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | 登録日 | 2016-11-16 | 公開日 | 2017-11-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors. Nat Commun, 8, 2017
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3R8P
| CDK2 in complex with inhibitor NSK-MC1-6 | 分子名称: | (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2 | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-03-24 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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4QGI
| X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, Protease | 著者 | Mahon, B.P, McKenna, R, Goldfarb, N. | 登録日 | 2014-05-22 | 公開日 | 2014-07-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.896 Å) | 主引用文献 | Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency. Biochemistry, 54, 2015
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3ROY
| CDK2 in complex with inhibitor KVR-1-154 | 分子名称: | 1,2-ETHANEDIOL, 4-(hexylamino)-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-04-26 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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5AMD
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4QE9
| Open MthK pore structure soaked in 10 mM Ba2+/100 mM K+ | 分子名称: | Calcium-gated potassium channel MthK, POTASSIUM ION | 著者 | Guo, R, Zeng, W, Cui, H, Chen, L, Ye, S. | 登録日 | 2014-05-15 | 公開日 | 2014-07-09 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Ionic interactions of Ba2+ blockades in the MthK K+ channel J.Gen.Physiol., 144, 2014
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5AOM
| Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883 | 分子名称: | CELLULAR TUMOR ANTIGEN P53, GLYCEROL, N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide, ... | 著者 | Joerger, A.C, Boeckler, F.M, Wilcken, R. | 登録日 | 2015-09-10 | 公開日 | 2015-12-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
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