2HCS
 
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6NKM
 | | Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate | | Descriptor: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | | Authors: | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-01-07 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
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6NFI
 | | BTK in complex with inhibitor N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide | | Descriptor: | N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide, SULFATE ION, Tyrosine-protein kinase BTK | | Authors: | Damm-Ganamet, K.L, Mirzadegan, T. | | Deposit date: | 2018-12-20 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J.Chem.Inf.Model., 59, 2019
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6N1E
 | | Crystal structure of X. citri phosphoglucomutase in complex with 1-methyl-glucose 6-phosphate | | Descriptor: | 1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose, MAGNESIUM ION, Phosphomannomutase/phosphoglucomutase | | Authors: | Beamer, L.J, Stiers, K.M. | | Deposit date: | 2018-11-08 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Synthesis, Derivatization, and Structural Analysis of Phosphorylated Mono-, Di-, and Trifluorinated d-Gluco-heptuloses by Glucokinase: Tunable Phosphoglucomutase Inhibition.
Acs Omega, 4, 2019
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6NM9
 | | CryoEM structure of the LbCas12a-crRNA-AcrVA4 dimer | | Descriptor: | AcrVA4, Cpf1, MAGNESIUM ION, ... | | Authors: | Chang, L, Li, Z, Zhang, H. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
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6NME
 | | Structure of LbCas12a-crRNA | | Descriptor: | Cpf1, MAGNESIUM ION, crRNA | | Authors: | Chang, L, Li, Z, Zhang, H. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (5.67 Å) | | Cite: | Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
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6MX6
 | | The Prp8 intein of Cryptococcus neoformans | | Descriptor: | Pre-mRNA-processing-splicing factor 8 | | Authors: | Li, Z, Li, H. | | Deposit date: | 2018-10-30 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | Spliceosomal Prp8 intein at the crossroads of protein and RNA splicing.
Plos Biol., 17, 2019
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6MOO
 | | Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | | Descriptor: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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6NXE
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2HOC
 | | Crystal structure of the human carbonic anhydrase II in complex with the 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide inhibitor | | Descriptor: | 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Menchise, V, Di Fiore, A, De Simone, G. | | Deposit date: | 2006-07-14 | | Release date: | 2006-10-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.
Bioorg.Med.Chem.Lett., 16, 2006
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2L3Y
 | | Solution structure of mouse IL-6 | | Descriptor: | Interleukin-6 | | Authors: | Veverka, V, Redpath, N.T, Carrington, B, Muskett, F.W, Taylor, R.J, Henry, A.J, Carr, M.D. | | Deposit date: | 2010-09-25 | | Release date: | 2011-09-28 | | Last modified: | 2013-01-02 | | Method: | SOLUTION NMR | | Cite: | Conservation of functional sites on interleukin-6 and implications for evolution of signaling complex assembly and therapeutic intervention.
J.Biol.Chem., 287, 2012
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2LDC
 | | Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2) | | Descriptor: | Estrogen receptor-binding stapled peptide SP1 | | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | | Deposit date: | 2011-05-20 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
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2LDD
 | | Solution structure of the estrogen receptor-binding stapled peptide SP6 (Ac-EKHKILXRLLXDS-NH2) | | Descriptor: | Estrogen receptor-binding stapled peptide SP6 | | Authors: | Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. | | Deposit date: | 2011-05-21 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Design and structure of stapled peptides binding to estrogen receptors.
J.Am.Chem.Soc., 133, 2011
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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: | 2023-11-15 | | 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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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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6X86
 | | Crystal Structure of TNFalpha with indolinone compound 11 | | Descriptor: | 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, 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 (2.93 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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6XW7
 | | Crystal structure of murine norovirus P domain in complex with Nanobody NB-5829 and glycochenodeoxycholate (GCDCA) | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, GLYCOCHENODEOXYCHOLIC ACID, ... | | Authors: | Kilic, T, Sabin, C, Hansman, G. | | Deposit date: | 2020-01-23 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
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6X81
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6XIB
 | | PCSK9(deltaCRD) in complex with cyclic peptide 30 | | Descriptor: | GLYCEROL, Peptide 30, 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 (1.546 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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6XIC
 | | PCSK9(deltaCRD) in complex with cyclic peptide 40 | | Descriptor: | GLYCEROL, Peptide 40, 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 (1.377 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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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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6XW6
 | | Crystal structure of murine norovirus P domain in complex with Nanobody NB-5853 | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, MAGNESIUM ION, ... | | Authors: | Kilic, T, Sabin, C, Hansman, G. | | Deposit date: | 2020-01-23 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
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6XNK
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