1NMC
| COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 15 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | 著者 | Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M. | 登録日 | 1997-12-21 | 公開日 | 1998-09-23 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Three-dimensional structures of single-chain Fv-neuraminidase complexes. J.Mol.Biol., 279, 1998
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5IU5
| Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCICCGA)2 | 分子名称: | BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*IP*CP*CP*GP*A)-3'), Ru(tap)2(dppz) complex | 著者 | Hall, J.P, Cardin, C.J. | 登録日 | 2016-03-17 | 公開日 | 2017-06-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Unexpected enhancement of sensitised photo-oxidation by a Ru(II) complex on replacement of guanine with inosine in DNA To Be Published
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3INW
| HSP90 N-TERMINAL DOMAIN with pochoxime A | 分子名称: | (5E,9E,11E)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime], DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | 著者 | Korndoerfer, I.P. | 登録日 | 2009-08-13 | 公開日 | 2010-08-18 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Inhibition of HSP90 with pochoximes: SAR and structure-based insights. Chembiochem, 10, 2009
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3INX
| HSP90 N-TERMINAL DOMAIN with pochoxime B | 分子名称: | (5E,9E,11E)-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime], DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | 著者 | Korndoerfer, I.P. | 登録日 | 2009-08-13 | 公開日 | 2010-08-18 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Inhibition of HSP90 with pochoximes: SAR and structure-based insights. Chembiochem, 10, 2009
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5KNH
| CRYSTAL STRUCTURE OF DARPIN 6G9 IN COMPLEX WITH CYNO IL-13 | 分子名称: | ACETATE ION, DARPIN 6G9, IL13 | 著者 | Teplyakov, A, Malia, T, Obmolova, G, Gilliland, G. | 登録日 | 2016-06-28 | 公開日 | 2016-12-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Conformational flexibility of an anti-IL-13 DARPin. Protein Eng. Des. Sel., 30, 2017
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1Z9H
| Microsomal prostaglandin E synthase type-2 | 分子名称: | ACETATE ION, CHLORIDE ION, INDOMETHACIN, ... | 著者 | Yamada, T, Komoto, J, Watanabe, K, Ohmiya, Y, Takusagawa, F. | 登録日 | 2005-04-02 | 公開日 | 2005-05-17 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure and Possible Catalytic Mechanism of Microsomal Prostaglandin E Synthase Type 2 (mPGES-2). J.Mol.Biol., 348, 2005
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8TNN
| Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with gp42 antibody A10 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, A10 heavy chain, A10 light chain, ... | 著者 | Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I. | 登録日 | 2023-08-02 | 公開日 | 2024-03-27 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3.36 Å) | 主引用文献 | Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells. Immunity, 57, 2024
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5AOQ
| Structural basis of neurohormone perception by the receptor tyrosine kinase Torso | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PREPROPTTH, TORSO | 著者 | Jenni, S, Goyal, Y, von Grotthuss, M, Shvartsman, S.Y, Klein, D.E. | 登録日 | 2015-09-11 | 公開日 | 2015-11-25 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Basis of Neurohormone Perception by the Receptor Tyrosine Kinase Torso. Mol.Cell, 60, 2015
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1MZI
| Solution ensemble structures of HIV-1 gp41 2F5 mAb epitope | 分子名称: | 2F5 epitope of HIV-1 gp41 fusion protein | 著者 | Barbato, G, Bianchi, E, Ingallinella, P, Hurni, W.H, Miller, M.D, Ciliberto, G, Cortese, R, Bazzo, R, Shiver, J.W, Pessi, A. | 登録日 | 2002-10-08 | 公開日 | 2003-09-02 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural analysis of the epitope of the anti-HIV antibody 2F5 sheds light into its mechanism of neutralization and HIV fusion. J.Mol.Biol., 330, 2003
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3CID
| Structure of BACE Bound to SCH726222 | 分子名称: | Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | 著者 | Strickland, C, Cumming, J. | 登録日 | 2008-03-11 | 公開日 | 2008-06-10 | 最終更新日 | 2017-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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5WDZ
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7F9I
| The apo-form structure of EnrR | 分子名称: | EnrR repressor | 著者 | Gan, J.H, Wang, Q.Y. | 登録日 | 2021-07-04 | 公開日 | 2022-05-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Xenogeneic nucleoid-associated EnrR thwarts H-NS silencing of bacterial virulence with unique DNA binding. Nucleic Acids Res., 50, 2022
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7F9H
| complex structure of EnrR-DNA | 分子名称: | EnrR repressor, target DNA | 著者 | Gan, J.H, Wang, Q.Y. | 登録日 | 2021-07-04 | 公開日 | 2022-05-11 | 最終更新日 | 2022-05-18 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Xenogeneic nucleoid-associated EnrR thwarts H-NS silencing of bacterial virulence with unique DNA binding. Nucleic Acids Res., 50, 2022
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7CZ0
| Crystal structure of a thermostable green fluorescent protein (TGP) with a synthetic nanobody (Sb92) | 分子名称: | ACETATE ION, CACODYLATE ION, CACODYLIC ACID, ... | 著者 | Cai, H, Yao, H, Li, T, Hutter, C, Tang, Y, Li, Y, Seeger, M, Li, D. | 登録日 | 2020-09-06 | 公開日 | 2021-09-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | 主引用文献 | An improved fluorescent protein tag and its nanobodies for membrane protein expression, stability assay, and purification To Be Published
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7ALS
| Alpha and beta Lactose isomer structure of Galectin 8, N-terminal domain | 分子名称: | CHLORIDE ION, Galectin-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... | 著者 | Hakansson, M, Walse, B, Diehl, C, Kovacic, R. | 登録日 | 2020-10-07 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Alpha and beta Lactose isomer structure of Galectin 8, N-terminal domain To Be Published
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5Q0H
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-11-chloro-8-[(2,6-difluoro-4-methylbenzene-1-carbonyl)amino]-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2017-05-01 | 公開日 | 2017-07-12 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
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5Q0D
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2017-05-01 | 公開日 | 2017-07-12 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
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5Q0F
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4R,5E,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | 著者 | Sheriff, S. | 登録日 | 2017-05-01 | 公開日 | 2017-07-12 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27, 2017
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5QCK
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid | 分子名称: | 1,2-ETHANEDIOL, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | 著者 | Sheriff, S. | 登録日 | 2017-08-10 | 公開日 | 2017-11-08 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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5QCM
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2017-08-10 | 公開日 | 2017-11-08 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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5QCL
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | 分子名称: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | 著者 | Sheriff, S. | 登録日 | 2017-08-10 | 公開日 | 2017-11-08 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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5QQP
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-05-20 | 公開日 | 2019-09-18 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability. Bioorg.Med.Chem.Lett., 29, 2019
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5QCN
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid | 分子名称: | 1,2-ETHANEDIOL, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, Coagulation factor XI, ... | 著者 | Sheriff, S. | 登録日 | 2017-08-10 | 公開日 | 2017-11-08 | 最終更新日 | 2018-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212). J. Med. Chem., 60, 2017
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5QQO
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, ... | 著者 | Sheriff, S. | 登録日 | 2019-05-20 | 公開日 | 2019-09-18 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure based design of macrocyclic factor XIa inhibitors: Discovery of cyclic P1 linker moieties with improved oral bioavailability. Bioorg.Med.Chem.Lett., 29, 2019
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5QTT
| FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate | 分子名称: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | 著者 | Sheriff, S. | 登録日 | 2019-10-16 | 公開日 | 2019-12-25 | 最終更新日 | 2021-05-12 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Potent, Orally Bioavailable and Efficacious Macrocyclic Inhibitors of Factor XIa. Discovery of Pyridine-Based Macrocycles Possessing Phenylazole Carboxamide P1 Groups. J.Med.Chem., 63, 2019
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