4BFA
 
 | | Crystal structure of E. coli dihydrouridine synthase C (DusC) | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NITRATE ION, ... | | 著者 | Byrne, R.T, Whelan, F, Konevega, A, Aziz, N, Rodnina, M, Antson, A.A. | | 登録日 | 2013-03-16 | | 公開日 | 2013-11-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Major Reorientation of tRNA Substrates Defines Specificity of Dihydrouridine Synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
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1C8W
 | | THR45GLY VARIANT OF RIBONUCLEASE A | | 分子名称: | ACETATE ION, CHLORIDE ION, PROTEIN (Ribonuclease A) | | 著者 | Kelemen, B.R, Sweeney, R.T, Schultz, L.W, Raines, R.T. | | 登録日 | 1999-07-30 | | 公開日 | 2002-05-01 | | 最終更新日 | 2018-03-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Excavating an active site: the nucleobase specificity of ribonuclease A.
Biochemistry, 39, 2000
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3DDW
 | | Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055 | | 分子名称: | (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, ... | | 著者 | Nolte, R.T. | | 登録日 | 2008-06-06 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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3DDS
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3DD1
 | | Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine, ... | | 著者 | Nolte, R.T. | | 登録日 | 2008-06-04 | | 公開日 | 2009-04-21 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | 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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7JR6
 | | H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | | 分子名称: | 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, ... | | 著者 | Nolte, R.T, Somers, D.O, Gampe, R.T. | | 登録日 | 2020-08-11 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ... | | 著者 | Nolte, R.T, Somers, D.O, Gampe, R.T. | | 登録日 | 2020-08-11 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | 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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4KPE
 | | Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate | | 分子名称: | (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid, DNA topoisomerase 4 subunit A, DNA topoisomerase 4 subunit B, ... | | 著者 | Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R. | | 登録日 | 2013-05-13 | | 公開日 | 2014-11-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.43 Å) | | 主引用文献 | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
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4U5I
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4U5K
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4WNQ
 | | THE MOLECULAR BASES OF DELTA/ALPHA-BETA T-CELL MEDIATED ANTIGEN RECOGNITION | | 分子名称: | TCR Variable Beta 2 (TRBV20) chain and TCR constant Beta chain, TCR Variable Delta 1 chain and TCR constant Alpha chain | | 著者 | Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I. | | 登録日 | 2014-10-14 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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4WO4
 | | The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition. | | 分子名称: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I. | | 登録日 | 2014-10-15 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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4KT8
 | | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | | 分子名称: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | | 著者 | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | 登録日 | 2013-05-20 | | 公開日 | 2014-02-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
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4KPF
 | | Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate | | 分子名称: | (3aS,4R)-4-amino-13-cyclopropyl-8-fluoro-10-oxo-3a,4,5,6,10,13-hexahydro-1H,3H-pyrrolo[2',1':3,4][1,4]oxazepino[5,6-h]quinoline-11-carboxylic acid, E-site1, E-site2, ... | | 著者 | Laponogov, I, Pan, X.-S, Vesekov, D.A, Cirz, R.T, Wagman, A.S, Moser, H.E, Fisher, L.M, Sanderson, M.R. | | 登録日 | 2013-05-13 | | 公開日 | 2014-11-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
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7B1O
 | | Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22 | | 分子名称: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1 | | 著者 | Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M. | | 登録日 | 2020-11-25 | | 公開日 | 2021-09-29 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
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4KTE
 | | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human primate | | 分子名称: | GE148 Heavy Chain Fab, GE148 Light Chain Fab, GLYCEROL, ... | | 著者 | Poulsen, C, Tran, K, Stanfield, R, Wyatt, R.T. | | 登録日 | 2013-05-20 | | 公開日 | 2014-02-05 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Vaccine-elicited primate antibodies use a distinct approach to the HIV-1 primary receptor binding site informing vaccine redesign.
Proc.Natl.Acad.Sci.USA, 111, 2014
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830C
 | | COLLAGENASE-3 (MMP-13) COMPLEXED TO A SULPHONE-BASED HYDROXAMIC ACID | | 分子名称: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, MMP-13, ... | | 著者 | 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. | | 登録日 | 1998-08-06 | | 公開日 | 1999-08-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 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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6PVU
 | | RNase A in complex with hexametaphosphate | | 分子名称: | 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone, Ribonuclease pancreatic | | 著者 | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | | 登録日 | 2019-07-21 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
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6PVW
 | | RNase A in complex with cp4pA | | 分子名称: | 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone, 5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine, Ribonuclease pancreatic | | 著者 | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | | 登録日 | 2019-07-21 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
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6JJS
 | | Crystal structure of an enzyme from Penicillium herquei in condition2 | | 分子名称: | ACETATE ION, PhnH | | 著者 | Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2019-02-26 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei.
Biochem.Biophys.Res.Commun., 516, 2019
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6JJT
 | | Crystal structure of an enzyme from Penicillium herquei in condition1 | | 分子名称: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, PhnH | | 著者 | Fen, Y, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2019-02-26 | | 公開日 | 2020-01-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Crystal structure and proposed mechanism of an enantioselective hydroalkoxylation enzyme from Penicillium herquei.
Biochem.Biophys.Res.Commun., 516, 2019
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6PVX
 | | RNase A in complex with p5U | | 分子名称: | 5'-O-[(R)-hydroxy{[(S)-hydroxy{[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]uridine, Ribonuclease pancreatic | | 著者 | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | | 登録日 | 2019-07-21 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
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6PVV
 | | RNase A in complex with p5A | | 分子名称: | ADENOSINE-5'-PENTAPHOSPHATE, Ribonuclease pancreatic | | 著者 | Windsor, I.W, Sheppard, S.M, Cummins, C.C, Raines, R.T. | | 登録日 | 2019-07-21 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Nucleoside Tetra- and Pentaphosphates Prepared Using a Tetraphosphorylation Reagent Are Potent Inhibitors of Ribonuclease A.
J.Am.Chem.Soc., 141, 2019
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6PXK
 | | 3.65 Angstroms resolution structure of HslU with an axial-channel plug | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU, SULFATE ION, ... | | 著者 | Baytshtok, V, Grant, R.A, Sauer, R.T. | | 登録日 | 2019-07-26 | | 公開日 | 2020-07-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.647 Å) | | 主引用文献 | Heat activates the AAA+ HslUV protease by melting an axial autoinhibitory plug.
Cell Rep, 34, 2021
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6KA2
 | | Crystal structure of a Thebaine synthase from Papaver somniferum in complex with TBN | | 分子名称: | (4R,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline, Thebaine synthase 2 | | 著者 | Xue, J, Yu, X.J, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2019-06-20 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural insights into thebaine synthase 2 catalysis.
Biochem.Biophys.Res.Commun., 529, 2020
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