5AH4
| The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | Descriptor: | CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-04 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | 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. | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-03 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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4WZS
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1A5I
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1AL0
| PROCAPSID OF BACTERIOPHAGE PHIX174 | Descriptor: | CAPSID PROTEIN GPF, SCAFFOLDING PROTEIN GPB, SCAFFOLDING PROTEIN GPD, ... | Authors: | Rossmann, M.G, Dokland, T. | Deposit date: | 1997-06-06 | Release date: | 1998-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of a viral procapsid with molecular scaffolding. Nature, 389, 1997
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7AAP
| Nsp7-Nsp8-Nsp12 SARS-CoV2 RNA-dependent RNA polymerase in complex with template:primer dsRNA and favipiravir-RTP | Descriptor: | MAGNESIUM ION, Non-structural protein 12, Non-structural protein 7, ... | Authors: | 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. | Deposit date: | 2020-09-04 | Release date: | 2020-09-23 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | 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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2HWC
| A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A | Descriptor: | 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), ... | Authors: | Kim, K.H, Rossmann, M.G. | Deposit date: | 1994-01-25 | Release date: | 1994-11-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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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2HWB
| A comparison of the anti-rhinoviral drug binding pocket in hrv14 and hrv1a | Descriptor: | 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), ... | Authors: | Kim, K.H, Rossmann, M.G. | Deposit date: | 1994-01-25 | Release date: | 1994-11-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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 | Descriptor: | 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), ... | Authors: | Kim, K.H, Rossmann, M.G. | Deposit date: | 1994-01-25 | Release date: | 1994-09-30 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | 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 | Descriptor: | 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), ... | Authors: | Kim, K.H, Rossmann, M.G. | Deposit date: | 1994-01-25 | Release date: | 1994-09-30 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A. J.Mol.Biol., 230, 1993
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1BDA
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6RCJ
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe | Descriptor: | GLYCEROL, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2019-04-11 | Release date: | 2020-05-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | 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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6RD2
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2 | Descriptor: | (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, ... | Authors: | Barone, M, Roske, Y. | Deposit date: | 2019-04-12 | Release date: | 2020-05-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 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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6RCF
| ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH | Descriptor: | 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 | Authors: | Barone, M, Roske, Y. | Deposit date: | 2019-04-11 | Release date: | 2020-05-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 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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4WD6
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6XVT
| ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2 | Descriptor: | ACY-SC1-SC2-SC3-SC4-SC5-NME, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Le Cong, K, Roske, Y. | Deposit date: | 2020-01-22 | Release date: | 2020-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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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6XXR
| ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEA-NH2 | Descriptor: | Ac-[2-Cl-F]-PPPPTEDEA-NH2, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Le Cong, K, Roske, Y. | Deposit date: | 2020-01-28 | Release date: | 2020-11-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | 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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6OAC
| PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | Descriptor: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, McPhail, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase. J.Med.Chem., 62, 2019
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3CBG
| Functional and Structural Characterization of a Cationdependent O-Methyltransferase from the Cyanobacterium Synechocystis Sp. Strain PCC 6803 | Descriptor: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, ... | Authors: | Kopycki, J.G, Neumann, P, Stubbs, M.T. | Deposit date: | 2008-02-22 | Release date: | 2008-06-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional and Structural Characterization of a Cation-dependent O-Methyltransferase from the Cyanobacterium Synechocystis sp. Strain PCC 6803 J.Biol.Chem., 283, 2008
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4ZEJ
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3ESF
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1AOK
| VIPOXIN COMPLEX | Descriptor: | ACETATE ION, VIPOXIN COMPLEX | Authors: | Perbandt, M, Wilson, J.C, Eschenburg, S, Betzel, C. | Deposit date: | 1997-07-07 | Release date: | 1998-01-21 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of vipoxin at 2.0 A: an example of regulation of a toxic function generated by molecular evolution. FEBS Lett., 412, 1997
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3JU4
| Crystal Structure Analysis of EndosialidaseNF at 0.98 A Resolution | Descriptor: | CHLORIDE ION, Endo-N-acetylneuraminidase, N-acetyl-beta-neuraminic acid, ... | Authors: | Schulz, E.C, Neuman, P, Gerardy-Schahn, R, Sheldrick, G.M, Ficner, R. | Deposit date: | 2009-09-14 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure analysis of endosialidase NF at 0.98 A resolution. Acta Crystallogr.,Sect.D, 66, 2010
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6ZM2
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