6W65
 
 | | Human PARP16 in complex with RBN010860 | | 分子名称: | 1,2-ETHANEDIOL, 5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one, CITRIC ACID, ... | | 著者 | Swinger, K.K, Wigle, T.J, Kuntz, K.W. | | 登録日 | 2020-03-16 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | In Vitro and Cellular Probes to Study PARP Enzyme Target Engagement.
Cell Chem Biol, 27, 2020
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1SLM
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1SLY
 | | COMPLEX OF THE 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE WITH BULGECIN A | | 分子名称: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE | | 著者 | Thunnissen, A.M.W.H, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W. | | 登録日 | 1995-08-02 | | 公開日 | 1996-08-17 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of the 70-kDa soluble lytic transglycosylase complexed with bulgecin A. Implications for the enzymatic mechanism.
Biochemistry, 34, 1995
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1SHC
 | | SHC PTB DOMAIN COMPLEXED WITH A TRKA RECEPTOR PHOSPHOPEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | SHC, TRKA RECEPTOR PHOSPHOPEPTIDE | | 著者 | Zhou, M.-M, Ravichandran, K.S, Olejniczak, E.T, Petros, A.M, Meadows, R.P, Sattler, M, Harlan, J.E, Wade, W.S, Burakoff, S.J, Fesik, S.W. | | 登録日 | 1996-03-27 | | 公開日 | 1997-05-15 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and ligand recognition of the phosphotyrosine binding domain of Shc.
Nature, 378, 1995
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1SLN
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6VSL
 | | Crystal structure of a human fucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Tolbert, W.D, Pazgier, M. | | 登録日 | 2020-02-11 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells.
J.Virol., 95, 2021
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5L2S
 | | The X-ray co-crystal structure of human CDK6 and Abemaciclib. | | 分子名称: | Cyclin-dependent kinase 6, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | | 著者 | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | 登録日 | 2016-08-02 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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6VSZ
 | | Crystal structure of a human afucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana) | | 分子名称: | Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Tolbert, W.D, Pazgier, M. | | 登録日 | 2020-02-12 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells.
J.Virol., 95, 2021
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5KNP
 | | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Hypoxanthin-9-yl)pyrrolidin-3-yl)-oxymethanephosphonic acid | | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | 著者 | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | | 登録日 | 2016-06-28 | | 公開日 | 2017-09-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate
To Be Published
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7ZS7
 | | Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI | | 分子名称: | (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide, ACETATE ION, Cathepsin L, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-05-06 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
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5IE7
 | | Crystal structure of a lactonase double mutant in complex with substrate b | | 分子名称: | (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | | 著者 | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2016-02-25 | | 公開日 | 2017-01-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
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5L2W
 | | The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. | | 分子名称: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, ... | | 著者 | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | 登録日 | 2016-08-02 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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5KZQ
 | | Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | | 分子名称: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | | 著者 | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | | 登録日 | 2016-07-25 | | 公開日 | 2016-12-28 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
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8F35
 | | Apo ELIC in spMSP1D1 nanodiscs with 2:1:1 POPC:POPE:POPG | | 分子名称: | Erwinia chrysanthemi ligand-gated ion channel | | 著者 | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | 登録日 | 2022-11-09 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | | 主引用文献 | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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5IE6
 | | Crystal structure of a lactonase mutant in complex with substrate b | | 分子名称: | (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | | 著者 | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2016-02-25 | | 公開日 | 2017-01-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
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5KTU
 | | Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | | 分子名称: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE | | 著者 | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
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7ZXA
 | | Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-05-20 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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8F33
 | | ELIC with Propylamine in saposin nanodiscs with 2:1:1 POPC:POPE:POPG | | 分子名称: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | | 著者 | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | 登録日 | 2022-11-09 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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8F34
 | | ELIC with Propylamine in spMSP1D1 nanodiscs with 2:1:1 POPC:POPE:POPG | | 分子名称: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | | 著者 | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | 登録日 | 2022-11-09 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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6A8W
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8F32
 | | ELIC with Propylamine in SMA nanodiscs with 2:1:1 POPC:POPE:POPG | | 分子名称: | 3-AMINOPROPANE, Erwinia chrysanthemi ligand-gated ion channel | | 著者 | Dalal, V, Arcario, M.J, Petroff II, J.T, Deitzen, N.M, Tan, B.K, Brannigan, G, Cheng, W.W.L. | | 登録日 | 2022-11-09 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.71 Å) | | 主引用文献 | Lipid nanodisc scaffold and size alter the structure of a pentameric ligand-gated ion channel.
Nat Commun, 15, 2024
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5ZT2
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5L2T
 | | The X-ray co-crystal structure of human CDK6 and Ribociclib. | | 分子名称: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | | 著者 | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | 登録日 | 2016-08-02 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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5IE5
 | | Crystal structure of a lactonase double mutant in complex with substrate a | | 分子名称: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | | 著者 | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2016-02-25 | | 公開日 | 2017-01-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
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8A4W
 | | Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | 登録日 | 2022-06-13 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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