7JR6
| H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | Descriptor: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, GLUTATHIONE, Hematopoietic prostaglandin D synthase, ... | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | Deposit date: | 2020-08-11 | Release date: | 2021-05-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg.Med.Chem.Lett., 47, 2021
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7JR8
| H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ... | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | Deposit date: | 2020-08-11 | Release date: | 2021-05-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg.Med.Chem.Lett., 47, 2021
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1MNT
| SOLUTION STRUCTURE OF DIMERIC MNT REPRESSOR (1-76) | Descriptor: | MNT REPRESSOR | Authors: | Burgering, M.J.M, Boelens, R, Gilbert, D.E, Breg, J.N, Knight, K.L, Sauer, R.T, Kaptein, R. | Deposit date: | 1994-06-28 | Release date: | 1994-09-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of dimeric Mnt repressor (1-76). Biochemistry, 33, 1994
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7N41
| Crystal structure of TagA with UDP-ManNAc | Descriptor: | (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase | Authors: | Martinez, O.E, Cascio, D, Clubb, R.T. | Deposit date: | 2021-06-03 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J.Biol.Chem., 298, 2021
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2RCE
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7CY0
| Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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7SJY
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3DDW
| Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055 | Descriptor: | (2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Nolte, R.T. | Deposit date: | 2008-06-06 | Release date: | 2009-01-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy. Bioorg.Med.Chem.Lett., 19, 2009
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830C
| COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | Descriptor: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | Authors: | Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F. | Deposit date: | 1998-08-06 | Release date: | 1999-08-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors. Nat.Struct.Biol., 6, 1999
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6YSE
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7QPB
| Catalytic C-lobe of the HECT-type ubiquitin ligase E6AP in complex with a hybrid foldamer-peptide macrocycle | Descriptor: | Isoform I of Ubiquitin-protein ligase E3A, hybrid foldamer-peptide macrocycle | Authors: | Dengler, S, Howard, R.T, Morozov, V, Tsiamantas, C, Douat, C, Suga, H, Huc, I. | Deposit date: | 2022-01-03 | Release date: | 2023-09-27 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.342 Å) | Cite: | Display Selection of a Hybrid Foldamer-Peptide Macrocycle. Angew.Chem.Int.Ed.Engl., 62, 2023
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4FZS
| Structure of human SNX1 BAR domain | Descriptor: | Sorting nexin-1 | Authors: | van Weering, J.R.T, Sessions, R.B, Traer, C.J, Kloer, D.P, Bhatia, V.K, Stamou, D, Hurley, J.H, Cullen, P.J. | Deposit date: | 2012-07-07 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular insight into vesicle-to-tubule membrane remodeling by SNX-BAR proteins To be Published
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6LNH
| Crystal structure of IDO from Bacillus thuringiensis | Descriptor: | FE (III) ION, L-isoleucine-4-hydroxylase, MERCURY (II) ION | Authors: | Feng, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2019-12-30 | Release date: | 2021-01-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of IDO from Bacillus thuringiensis to be published
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6R4N
| Crystal structure of S. cerevisia Niemann-Pick type C protein NPC2 with ergosterol bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, ... | Authors: | Winkler, M.B.L, Kidmose, R.T, Pedersen, B.P. | Deposit date: | 2019-03-22 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins. Cell, 179, 2019
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3LGT
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3LH3
| DFP modified DegS delta PDZ | Descriptor: | Protease degS | Authors: | Sohn, J, Grant, R.A, Sauer, R.T. | Deposit date: | 2010-01-21 | Release date: | 2010-08-25 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allostery is an intrinsic property of the protease domain of DegS: implications for enzyme function and evolution. J.Biol.Chem., 285, 2010
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4PER
| Structure of Gallus gallus ribonuclease inhibitor complexed with Gallus gallus ribonuclease I | Descriptor: | Angiogenin, Ribonuclease Inhibitor | Authors: | Bianchetti, C.M, Lomax, J.E, Raines, R.T, Fox, B.G. | Deposit date: | 2014-04-24 | Release date: | 2014-06-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Functional evolution of ribonuclease inhibitor: insights from birds and reptiles. J.Mol.Biol., 426, 2014
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6R4M
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6DKQ
| Crystal structure of the Shr Hemoglobin Interacting Domain 2 | Descriptor: | Heme-binding protein Shr, SULFATE ION | Authors: | Macdonald, R, Cascio, D, Collazo, M.J, Clubb, R.T. | Deposit date: | 2018-05-30 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains. J.Biol.Chem., 293, 2018
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6DN1
| CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1151 SPLIT RNA | Descriptor: | 10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | Deposit date: | 2018-06-05 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem. Biol., 13, 2018
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4PEQ
| Structure of bovine ribonuclease inhibitor complexed with bovine ribonuclease I | Descriptor: | Ribonuclease pancreatic, Ribonuclease/angiogenin inhibitor 1 | Authors: | Bianchetti, C.M, Lomax, J.E, Raines, R.T, Fox, B.G. | Deposit date: | 2014-04-24 | Release date: | 2014-06-25 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Functional evolution of ribonuclease inhibitor: insights from birds and reptiles. J.Mol.Biol., 426, 2014
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8IH4
| Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant | Descriptor: | Butyrophilin subfamily 2 member A2 | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-22 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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8IGT
| Crystal Structure of Intracellular B30.2 Domain of BTN2A1 | Descriptor: | Butyrophilin subfamily 2 member A1, ZINC ION | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2023-02-21 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells. Nature, 621, 2023
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4GMA
| Crystal structure of the adenosylcobalamin riboswitch | Descriptor: | Adenosylcobalamin, Adenosylcobalamin riboswitch | Authors: | Reyes, F.E, Johnson, J.E, Polaski, J.T, Batey, R.T. | Deposit date: | 2012-08-15 | Release date: | 2012-10-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.94 Å) | Cite: | B12 cofactors directly stabilize an mRNA regulatory switch. Nature, 492, 2012
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6NCJ
| Structure of HIV-1 Integrase with potent 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives Allosteric Site Inhibitors | Descriptor: | (2~{S})-2-[4-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-2-methyl-6-[[(1~{S},2~{R})-2-phenylcyclopropyl]methyl]-7,8-dihydro-5~{H}-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase, ... | Authors: | Nolte, R.T. | Deposit date: | 2018-12-11 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 5,6,7,8-Tetrahydro-1,6-naphthyridine Derivatives as Potent HIV-1-Integrase-Allosteric-Site Inhibitors. J. Med. Chem., 62, 2019
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