4HEU
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4HWB
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4HWW
| Crystal structure of human Arginase-1 complexed with inhibitor 9 | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | Deposit date: | 2012-11-09 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
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4Y76
| Factor Xa complex with GTC000401 | Descriptor: | CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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4Y79
| Factor Xa complex with GTC000406 | Descriptor: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | Authors: | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | Deposit date: | 2015-02-13 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides. J. Med. Chem., 50, 2007
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6X83
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6XG7
| 1.3 A Resolution Structure of the of the NHL Repeat Region of D. melanogaster Thin | Descriptor: | SULFATE ION, TETRAETHYLENE GLYCOL, Thin, ... | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Bawa, S, Geisbrecht, E.R. | Deposit date: | 2020-06-17 | Release date: | 2020-12-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Costameric integrin and sarcoglycan protein levels are altered in a Drosophila model for Limb-girdle muscular dystrophy type 2H. Mol.Biol.Cell, 32, 2021
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4HF4
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6X81
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4YGY
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4H1J
| Crystal structure of PYK2 with the pyrazole 13a | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]urea, Protein-tyrosine kinase 2-beta | Authors: | Han, S. | Deposit date: | 2012-09-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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6XKQ
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-250 Heavy Chain, CV07-250 Light Chain, ... | Authors: | Yuan, M, Liu, H, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-06-26 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model. Cell, 183, 2020
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6XKP
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ... | Authors: | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | Deposit date: | 2020-06-26 | Release date: | 2020-10-14 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model. Cell, 183, 2020
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6XW4
| Crystal structure of murine norovirus P domain in complex with Nanobody NB-5867 | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, Nanobody NB-5867 | Authors: | Kilic, T, Sabin, C, Hansman, G. | Deposit date: | 2020-01-23 | Release date: | 2020-04-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus. J.Virol., 94, 2020
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4IMJ
| Novel Modifications on C-terminal Domain of RNA Polymerase II can Fine-tune the Phosphatase Activity of Ssu72 | Descriptor: | CG14216, CTD, PHOSPHATE ION, ... | Authors: | Luo, Y, Yogesha, S.D, Zhang, Y. | Deposit date: | 2013-01-03 | Release date: | 2013-08-07 | Last modified: | 2013-10-23 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Novel Modifications on C-terminal Domain of RNA Polymerase II Can Fine-tune the Phosphatase Activity of Ssu72. Acs Chem.Biol., 8, 2013
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4YZI
| Crystal structure of blue-shifted channelrhodopsin mutant (T198G/G202A) | Descriptor: | OLEIC ACID, RETINAL, Sensory opsin A,Archaeal-type opsin 2, ... | Authors: | Kato, H.E, Kamiya, M, Ishitani, R, Hayashi, S, Nureki, O. | Deposit date: | 2015-03-25 | Release date: | 2015-05-27 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomistic design of microbial opsin-based blue-shifted optogenetics tools. Nat Commun, 6, 2015
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6XOX
| cryo-EM of human GLP-1R bound to non-peptide agonist LY3502970 | Descriptor: | 3-[(1S,2S)-1-(5-[(4S)-2,2-dimethyloxan-4-yl]-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl)-2-methylcyclopropyl]-1,2,4-oxadiazol-5(4H)-one, Alpha subunit of Gs with N-terminus swapped with equivalent residues in Gi,Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas, Glucagon-like peptide 1 receptor, ... | Authors: | Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S. | Deposit date: | 2020-07-07 | Release date: | 2020-11-18 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for GLP-1 receptor activation by LY3502970, an orally active nonpeptide agonist. Proc.Natl.Acad.Sci.USA, 117, 2020
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6XID
| PCSK9(deltaCRD) in complex with cyclic peptide 51 | Descriptor: | GLYCEROL, Peptide 51, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
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6XNK
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6X85
| Crystal Structure of TNFalpha with indolinone compound 9 | Descriptor: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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4H1M
| Crystal structure of PYK2 with the indole 10c | Descriptor: | 7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamide, Protein-tyrosine kinase 2-beta | Authors: | Han, S. | Deposit date: | 2012-09-10 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4YGX
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4YH1
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6XIF
| PCSK9(deltaCRD) in complex with cyclic peptide 83 | Descriptor: | GLYCEROL, Peptide 83, Proprotein convertase subtilisin/kexin type 9 | Authors: | Orth, P. | Deposit date: | 2020-06-19 | Release date: | 2020-11-18 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.774 Å) | Cite: | Series of Novel and Highly Potent Cyclic Peptide PCSK9 Inhibitors Derived from an mRNA Display Screen and Optimized via Structure-Based Design. J.Med.Chem., 63, 2020
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6X82
| Crystal Structure of TNFalpha with isoquinoline compound 4 | Descriptor: | 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor | Authors: | Longenecker, K.L, Stoll, V.S. | Deposit date: | 2020-06-01 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design. J.Med.Chem., 64, 2021
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