6RCF
 
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH | | 分子名称: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog | | 著者 | Barone, M, Roske, Y. | | 登録日 | 2019-04-11 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6RCJ
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6RD2
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2 | | 分子名称: | (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, GLYCEROL, NITRATE ION, ... | | 著者 | Barone, M, Roske, Y. | | 登録日 | 2019-04-12 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1KVP
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5AH4
 | | The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | | 分子名称: | CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION | | 著者 | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | 登録日 | 2015-02-04 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.313 Å) | | 主引用文献 | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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5AGV
 | | The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | | 分子名称: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | | 著者 | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | 登録日 | 2015-02-03 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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7AAP
 | | Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP | | 分子名称: | MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ... | | 著者 | Naydenova, K, Muir, K.W, Wu, L.F, Zhang, Z, Coscia, F, Peet, M, Castro-Hartman, P, Qian, P, Sader, K, Dent, K, Kimanius, D, Sutherland, J.D, Lowe, J, Barford, D, Russo, C.J. | | 登録日 | 2020-09-04 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Structure of the SARS-CoV-2 RNA-dependent RNA polymerase in the presence of favipiravir-RTP.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6XXR
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1AYM
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6XVT
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2 | | 分子名称: | ACY-SC1-SC2-SC3-SC4-SC5-NME, NITRATE ION, Protein enabled homolog, ... | | 著者 | Barone, M, Le Cong, K, Roske, Y. | | 登録日 | 2020-01-22 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1C8M
 | | REFINED CRYSTAL STRUCTURE OF HUMAN RHINOVIRUS 16 COMPLEXED WITH VP63843 (PLECONARIL), AN ANTI-PICORNAVIRAL DRUG CURRENTLY IN CLINICAL TRIALS | | 分子名称: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, HUMAN RHINOVIRUS 16 COAT PROTEIN, ZINC ION | | 著者 | Chakravarty, S, Bator, C.M, Pevear, D.C, Diana, G.D, Rossmann, M.G. | | 登録日 | 2000-05-26 | | 公開日 | 2000-11-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | THE REFINED STRUCTURE OF A PICORNAVIRUS INHIBITOR CURRENTLY IN CLINICAL TRIALS, WHEN COMPLEXED WITH HUMAN RHINOVIRUS 16
to be published
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6T7P
 | | human plasmakallikrein protease domain in complex with active site directed inhibitor | | 分子名称: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | | 著者 | Renatus, M. | | 登録日 | 2019-10-22 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.416 Å) | | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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6TS5
 | | Coagulation factor XI protease domain in complex with active site inhibitor | | 分子名称: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | | 著者 | Renatus, M, Schiering, N. | | 登録日 | 2019-12-20 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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1AYN
 | | HUMAN RHINOVIRUS 16 COAT PROTEIN | | 分子名称: | HUMAN RHINOVIRUS 16 COAT PROTEIN, LAURIC ACID, MYRISTIC ACID, ... | | 著者 | Hadfield, A.T, Oliveira, M.A, Zhao, R, Rossmann, M.G. | | 登録日 | 1997-11-06 | | 公開日 | 1998-01-21 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The structure of human rhinovirus 16.
Structure, 1, 1993
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5WHR
 | | Discovery of a novel and selective IDO-1 inhibitor PF-06840003 and its characterization as a potential clinical candidate. | | 分子名称: | (3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Greasley, S.E, Kaiser, S.E, Feng, J.L, Stewart, A. | | 登録日 | 2017-07-18 | | 公開日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate.
J. Med. Chem., 60, 2017
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2HWB
 | | A comparison of the anti-rhinoviral drug binding pocket in hrv14 and hrv1a | | 分子名称: | 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | | 著者 | Kim, K.H, Rossmann, M.G. | | 登録日 | 1994-01-25 | | 公開日 | 1994-11-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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2HWF
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2HWC
 | | A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A | | 分子名称: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | | 著者 | Kim, K.H, Rossmann, M.G. | | 登録日 | 1994-01-25 | | 公開日 | 1994-11-01 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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2HWD
 | | A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A | | 分子名称: | 5-(3-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PROPYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP2), ... | | 著者 | Kim, K.H, Rossmann, M.G. | | 登録日 | 1994-01-25 | | 公開日 | 1994-09-30 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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2HWE
 | | A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A | | 分子名称: | 5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE, HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP2), ... | | 著者 | Kim, K.H, Rossmann, M.G. | | 登録日 | 1994-01-25 | | 公開日 | 1994-09-30 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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1AL0
 | | PROCAPSID OF BACTERIOPHAGE PHIX174 | | 分子名称: | CAPSID PROTEIN GPF, SCAFFOLDING PROTEIN GPB, SCAFFOLDING PROTEIN GPD, ... | | 著者 | Rossmann, M.G, Dokland, T. | | 登録日 | 1997-06-06 | | 公開日 | 1998-01-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Structure of a viral procapsid with molecular scaffolding.
Nature, 389, 1997
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1CD3
 | | PROCAPSID OF BACTERIOPHAGE PHIX174 | | 分子名称: | PROTEIN (CAPSID PROTEIN GPF), PROTEIN (SCAFFOLDING PROTEIN GPB), PROTEIN (SCAFFOLDING PROTEIN GPD), ... | | 著者 | Rossmann, M.G, Dokland, T. | | 登録日 | 1999-03-05 | | 公開日 | 1999-04-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | The role of scaffolding proteins in the assembly of the small, single-stranded DNA virus phiX174.
J.Mol.Biol., 288, 1999
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1A5I
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3JU4
 | | Crystal Structure Analysis of EndosialidaseNF at 0.98 A Resolution | | 分子名称: | CHLORIDE ION, Endo-N-acetylneuraminidase, N-acetyl-beta-neuraminic acid, ... | | 著者 | Schulz, E.C, Neuman, P, Gerardy-Schahn, R, Sheldrick, G.M, Ficner, R. | | 登録日 | 2009-09-14 | | 公開日 | 2010-02-02 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Structure analysis of endosialidase NF at 0.98 A resolution.
Acta Crystallogr.,Sect.D, 66, 2010
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1QJX
 | | HUMAN RHINOVIRUS 16 COAT PROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUND WIN68934 | | 分子名称: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL, MYRISTIC ACID, PROTEIN VP1, ... | | 著者 | Hadfield, A.T, Diana, G.D, Rossmann, M.G. | | 登録日 | 1999-07-06 | | 公開日 | 1999-07-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Analysis of Three Structurally Related Antiviral Compounds in Complex with Human Rhinovirus 16
Proc.Natl.Acad.Sci.USA, 96, 1999
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