7FVT
| Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one | Descriptor: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | Authors: | Xu, B, Benz, J, Cumming, J.G, Rudolph, M.G. | Deposit date: | 2023-04-18 | Release date: | 2023-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.081 Å) | Cite: | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens. Acs Med.Chem.Lett., 14, 2023
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8CCE
| The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)butanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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8C8C
| Crystal Structure of Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (PI5P4Ka) bound to an inhibitor | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, ~{N}-(3-chloranyl-4-methoxy-phenyl)-7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine | Authors: | Harborne, S.P.D, Howard, T.D, Ogg, D.T. | Deposit date: | 2023-01-19 | Release date: | 2023-04-26 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Identification of ARUK2002821 as an isoform-selective PI5P4K alpha inhibitor. Rsc Med Chem, 14, 2023
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8CCC
| The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)propanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid | Descriptor: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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6DOM
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6DP2
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6DPO
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4UF1
| Deerpox virus DPV022 in complex with Bak BH3 | Descriptor: | Antiapoptotic membrane protein, Bcl-2 homologous antagonist/killer, SULFATE ION | Authors: | Burton, D.R, Kvansakul, M. | Deposit date: | 2014-12-23 | Release date: | 2015-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Deerpox Virus-Mediated Inhibition of Apoptosis. Acta Crystallogr.,Sect.D, 71, 2015
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4UFJ
| Mouse Galactocerebrosidase complexed with iso-galacto-fagomine lactam IGL | Descriptor: | (3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
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6DTH
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8CRZ
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8CRY
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4UO8
| Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with 6SO4-3SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ... | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-05-31 | Release date: | 2014-07-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza. Proc.Natl.Acad.Sci.USA, 111, 2014
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4UGX
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(3-((ethyl(2-(3-fluorophenyl)ethyl)amino)methyl)phenyl)thiophene-2- carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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8CS0
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6DWN
| Structure of Human Cytochrome P450 1A1 with Erlotinib | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bart, A.G, Scott, E.E. | Deposit date: | 2018-06-26 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands. J. Biol. Chem., 293, 2018
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6DCL
| Crystal structure of UP1 bound to pri-miRNA-18a terminal loop | Descriptor: | 1,2-ETHANEDIOL, Heterogeneous nuclear ribonucleoprotein A1, RNA (5'-R(*AP*GP*UP*AP*GP*AP*UP*UP*AP*GP*C)-3') | Authors: | Kooshapur, H, Sattler, M. | Deposit date: | 2018-05-07 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Structural basis for terminal loop recognition and stimulation of pri-miRNA-18a processing by hnRNP A1. Nat Commun, 9, 2018
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8C5D
| Glutathione transferase P1-1 from Mus musculus | Descriptor: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Papageorgiou, A.C. | Deposit date: | 2023-01-06 | Release date: | 2023-05-24 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Inhibition Analysis and High-Resolution Crystal Structure of Mus musculus Glutathione Transferase P1-1. Biomolecules, 13, 2023
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6DD5
| Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein | Descriptor: | GLYCEROL, MMB-1 Cas6 Fused to Maltose Binding Protein,CRISPR-associated endonuclease Cas1, SULFATE ION, ... | Authors: | Stamos, J.L, Mohr, G, Silas, S, Makarova, K.S, Markham, L.M, Yao, J, Lucas-Elio, P, Sanchez-Amat, A, Fire, A.Z, Koonin, E.V, Lambowitz, A.M. | Deposit date: | 2018-05-09 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Reverse Transcriptase-Cas1 Fusion Protein Contains a Cas6 Domain Required for Both CRISPR RNA Biogenesis and RNA Spacer Acquisition. Mol. Cell, 72, 2018
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6DVB
| Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 5nt spacer | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lin, W, Das, K, Feng, Y, Ebright, R.H. | Deposit date: | 2018-06-23 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis of ECF-sigma-factor-dependent transcription initiation. Nat Commun, 10, 2019
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4UG6
| Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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8CGC
| Structure of CSF1R in complex with a pyrollopyrimidine (compound 23) | Descriptor: | (2S)-2-hydroxybutanedioic acid, GLYCEROL, Macrophage colony-stimulating factor 1 receptor, ... | Authors: | Aarhus, T.I, Bjornstad, F, Wolowczyk, C, Larsen, K.U, Rognstad, L, Leithaug, T, Unger, A, Habenberger, P, Wolff, A, Bjorkoy, G, Pridans, C, Eickhoff, J, Klebl, B, Hoff, B.H, Sundby, E. | Deposit date: | 2023-02-03 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.925 Å) | Cite: | Synthesis and Development of Highly Selective Pyrrolo[2,3- d ]pyrimidine CSF1R Inhibitors Targeting the Autoinhibited Form. J.Med.Chem., 66, 2023
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6DEY
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4UFM
| Mouse Galactocerebrosidase complexed with 1-deoxy-galacto-nojirimycin DGJ | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-04-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
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8CIC
| Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ... | Authors: | Cheng, R.K.Y, Markovic-Mueller, S, Hennig, M. | Deposit date: | 2023-02-09 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction. Commun Chem, 6, 2023
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