PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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6BQ8	Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(~2~H_2_)amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2-hydroxy-7-(~2~H)hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](~2~H)-1,9-dihydro-6H-purin-6-one, STRONTIUM ION, ... 著者 Kim, C, Kovalevsky, A, Gerlits, O. 登録日 2017-11-27 公開日 2018-03-21 最終更新日 2024-04-03 実験手法 NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION 主引用文献 Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator. Biochemistry, 57, 2018
5ZJ3	Textilinin-1, A Kunitz-Type Serine Protease Inhibitor From pichia expression system 分子名称: Kunitz-type serine protease inhibitor textilinin-1 著者 Ou, X.J, li, N. 登録日 2018-03-19 公開日 2019-04-03 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Textilinin-1, A Kunitz-Type Serine Protease Inhibitor expressed from picha system by LIAONING GRAND NUOKANG BIOPHARMACEUTICAL CO.,LTD To Be Published
8GYE	Crystal Structure of the 4-1BB in complex with ZG033 Fab 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Tumor necrosis factor receptor superfamily member 9, ... 著者 Zhu, M, Cheng, L.S, Gao, Y. 登録日 2022-09-22 公開日 2023-09-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal Structure of the 4-1BB in complex with ZG033 Fab To Be Published
4OIK	(Quasi-)Racemic X-ray crystal structure of glycosylated chemokine Ser-CCL1. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1, CITRIC ACID, ... 著者 Okamoto, R, Mandal, K, Sawaya, M.R, Kajihara, Y, Yeates, T.O, Kent, S.B.H. 登録日 2014-01-19 公開日 2014-05-07 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 (Quasi-)Racemic X-ray Structures of Glycosylated and Non-Glycosylated Forms of the Chemokine Ser-CCL1 Prepared by Total Chemical Synthesis. Angew.Chem.Int.Ed.Engl., 53, 2014
8GEY	Crystal structure of human cellular retinol binding protein 1 in complex with 4-(hydroxymethyl)-1-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]piperidin-4-ol 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol, Retinol-binding protein 1 著者 Plau, J, Golczak, M. 登録日 2023-03-07 公開日 2023-10-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
5VZN	Wild-type sperm whale myoglobin with nitric oxide 分子名称: GLYCEROL, Myoglobin, NITRIC OXIDE, ... 著者 Wang, B, Thomas, L.M, Richter-Addo, G.B. 登録日 2017-05-29 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
8GD2	Crystal structure of human cellular retinol binding protein 1 in complex with N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(2-thienylmethyl)methanamine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine, Retinol-binding protein 1 著者 Plau, J, Golczak, M. 登録日 2023-03-03 公開日 2023-10-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
5VIZ	X-Ray structure of Insulin Glargine 分子名称: Insulin, chain alpha, chain beta 著者 Reyes-Grajeda, J.P, Romero, A. 登録日 2017-04-17 公開日 2017-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 X-Ray structure of Insulin Glargine To Be Published
4ORW	Three-dimensional structure of the C65A-K59A double mutant of Human lipocalin-type Prostaglandin D Synthase apo-form 分子名称: Prostaglandin-H2 D-isomerase 著者 Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. 登録日 2014-02-12 公開日 2014-08-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.664 Å) 主引用文献 High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
4OS8	Three-dimensional structure of the C65A-W54F-W112F triple mutant of Human lipocalin-type Prostaglandin D Synthase apo-form 分子名称: Prostaglandin-H2 D-isomerase 著者 Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. 登録日 2014-02-12 公開日 2014-08-06 最終更新日 2020-02-26 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
8GEV	Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine 分子名称: 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1 著者 Plau, J, Golczak, M. 登録日 2023-03-07 公開日 2023-10-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
4OO5	Crystal Structure of S-nitrosated Human Thioredoxin Mutant 分子名称: Thioredoxin 著者 The, J, Weichsel, A, Montfort, W.R. 登録日 2014-01-30 公開日 2014-02-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Crystal Structure of a Thioredoxin Mutant Displays a Dynamic N-terminal Loop Surrounding an S-nitrosation Site To be Published
6E8F	Crystal Structure of Human Protocadherin-15 EC3-5 CD2-1 分子名称: CALCIUM ION, Protocadherin-15, SODIUM ION 著者 Choudhary, D, Tamilselvan, E, Sotomayor, M. 登録日 2018-07-29 公開日 2019-07-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception. Proc.Natl.Acad.Sci.USA, 2020
8GEU	Crystal structure of human cellular retinol binding protein 1 in complex with methyl({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)[(1-methylpyrazol-4-yl)methyl]amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine, Retinol-binding protein 1 著者 Plau, J, Golczak, M. 登録日 2023-03-07 公開日 2023-10-11 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms. Acs Chem.Biol., 18, 2023
5VD0	CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH MK1775 分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, DI(HYDROXYETHYL)ETHER, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase 著者 Zhu, J.-Y, Schonbrunn, E. 登録日 2017-04-01 公開日 2017-08-23 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors. J. Med. Chem., 60, 2017
7UOS	Structure of WNK1 inhibitor complex 分子名称: 1,2-ETHANEDIOL, 4-[bromo(dichloro)methanesulfonyl]-N-cyclohexyl-2-nitroaniline, Serine/threonine-protein kinase WNK1 著者 Akella, R, Goldsmith, E.J, Akella, R. 登録日 2022-04-13 公開日 2023-04-19 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structure of WNK1 inhibitor complex To Be Published
6EAV	Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 4(1) 2(1) 2 分子名称: CALCIUM ION, CYS-THR-LYS, Cationic trypsin 著者 Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. 登録日 2018-08-03 公開日 2019-08-07 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.391 Å) 主引用文献 Crystallographic structure of the cyclic heptapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 4(1) 2(1) 2 To Be Published
6EB5	Crystal Structure of Human Protocadherin-15 EC2-3 V250N 分子名称: CALCIUM ION, Protocadherin-15 著者 Choudhary, D, Sotomayor, M. 登録日 2018-08-04 公開日 2019-08-21 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception. Proc.Natl.Acad.Sci.USA, 2020
5VFJ	Crystal structure of BnSP-7 from bothrops pauloensis complexed with caffeic acid 分子名称: Basic phospholipase A2 homolog BnSP-7, CAFFEIC ACID, SULFATE ION 著者 De Lima, L.F.G, Fontes, M.R.M. 登録日 2017-04-07 公開日 2017-12-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.084 Å) 主引用文献 Structural studies with BnSP-7 reveal an atypical oligomeric conformation compared to phospholipases A2-like toxins. Biochimie, 142, 2017
7DIH	Crystal structure of Thermoglobin Y29F mutant in complex with imidazole 分子名称: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Muraki, N, Aono, S. 登録日 2020-11-19 公開日 2021-01-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural Characterization of Y29F Mutant of Thermoglobin from a Hyperthermophilic Bacterium Aquifex aeolicus Chem Lett., 2021
6ER7	CHEMOTAXIS PROTEIN CHEY FROM Pyrococcus horikoshiI 分子名称: 120aa long hypothetical chemotaxis protein (CheY) 著者 Paithankar, K.S, Enderle, M.E, Wirthensohn, D, Grininger, M, Oesterhelt, D. 登録日 2017-10-17 公開日 2018-10-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Structure of the archaeal chemotaxis protein CheY in a domain-swapped dimeric conformation. Acta Crystallogr.,Sect.F, 75, 2019
6ILJ	Cryo-EM structure of Echovirus 6 complexed with its attachment receptor CD55 at PH 5.5 分子名称: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... 著者 Gao, G.F, Liu, S, Zhao, X, Peng, R. 登録日 2018-10-18 公開日 2019-05-15 最終更新日 2019-11-06 実験手法 ELECTRON MICROSCOPY (3.6 Å) 主引用文献 Human Neonatal Fc Receptor Is the Cellular Uncoating Receptor for Enterovirus B. Cell, 177, 2019
5Z1C	The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 分子名称: 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator 著者 Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. 登録日 2017-12-25 公開日 2018-12-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 49, 2018
5VJ3	HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site 分子名称: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, MAGNESIUM ION, Protease 著者 Tiefenbrunn, T, Stout, C.D. 登録日 2017-04-18 公開日 2018-04-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease to be published
5VJA	Crystal Structure of human zipper-interacting protein kinase (ZIPK, alias DAPK3) in complex with a pyrazolo[3,4-d]pyrimidinone ligand (HS38) 分子名称: (2R)-2-{[1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanamide, DIMETHYL SULFOXIDE, Death-associated protein kinase 3, ... 著者 Carlson, D.A, Singer, M.R, Sutherland, C, Redondo, C, Alexander, L, Hughes, P.F, Knapp, S, MacDonald, J.A, Haystead, T.A.J. 登録日 2017-04-19 公開日 2018-08-08 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Targeting Pim Kinases and DAPK3 to Control Hypertension. Cell Chem Biol, 25, 2018

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