PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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5HTE	Recombinant bovine beta-lactoglobulin variant L1A/I2S (sBlgB#2) 分子名称: Beta-lactoglobulin 著者 Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K. 登録日 2016-01-26 公開日 2016-07-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation. Mol Biotechnol., 58, 2016
7ZHN	Crystal structure of TTBK1 in complex with AMG28 分子名称: 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ... 著者 Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-04-06 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
5HTZ	BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide 分子名称: (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1 著者 Orth, P. 登録日 2016-01-27 公開日 2016-11-09 最終更新日 2017-01-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease. J. Med. Chem., 59, 2016
5HT9	Crystal structure of M-crystallin in the presence of nickel 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta/gama crystallin family protein, MAGNESIUM ION, ... 著者 Jamkhindikar, A, Srivastava, S.S, Sankaranarayanan, R. 登録日 2016-01-26 公開日 2017-02-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.869 Å) 主引用文献 Inconspicuous nickel-binding methanoarchaeal betagamma-crystallins To Be Published
7ZGL	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Levy, C, Kavanagh, M. 登録日 2022-04-04 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor To Be Published
7ZHQ	Crystal structure of TTBK1 in complex with compound 10 (7-009) 分子名称: (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... 著者 Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-04-06 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
7ZHO	Crystal structure of TTBK1 in complex with compound 3 (7-001) 分子名称: 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol, PHOSPHATE ION, ... 著者 Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-04-06 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
5HUM	The crystal structure of neuraminidase from A/Sichuan/26221/2014 influenza virus 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, neuraminidase 著者 Yang, H, Carney, P.J, Guo, Z, Chang, J.C, Stevens, J. 登録日 2016-01-27 公開日 2016-04-13 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Molecular Characterizations of Surface Proteins Hemagglutinin and Neuraminidase from Recent H5Nx Avian Influenza Viruses. J.Virol., 90, 2016
7ZHP	Crystal structure of TTBK1 in complex with compound 9 (7-005) 分子名称: 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ... 著者 Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-04-06 公開日 2023-04-19 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis. Sci Rep, 13, 2023
5HVP	CRYSTALLOGRAPHIC ANALYSIS OF A COMPLEX BETWEEN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AND ACETYL-PEPSTATIN AT 2.0-ANGSTROMS RESOLUTION 分子名称: ACETYL-*PEPSTATIN, CHLORIDE ION, HIV-1 PROTEASE 著者 Fitzgerald, P.M.D, Mckeever, B.M, Vanmiddlesworth, J.F, Springer, J.P. 登録日 1990-04-30 公開日 1991-10-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystallographic analysis of a complex between human immunodeficiency virus type 1 protease and acetyl-pepstatin at 2.0-A resolution. J.Biol.Chem., 265, 1990
7BYO	Lysozyme structure SS1 from SS mode 分子名称: Lysozyme C 著者 Kang, H.S, Lee, S.J. 登録日 2020-04-24 公開日 2021-03-31 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range Nat Photonics, 2021
4U7Q	Structure of wild-type HIV protease in complex with photosensitive inhibitor PDI-6 分子名称: N~2~-({[7-(diethylamino)-2-oxo-2H-chromen-4-yl]methoxy}carbonyl)-N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease 著者 Pachl, P, Rezacova, P, Schimer, J. 登録日 2014-07-31 公開日 2015-03-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. Nat Commun, 6, 2015
5HZ6	FABP4 in complex with 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid 分子名称: 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte 著者 Ehler, A, Rudolph, M.G. 登録日 2016-02-02 公開日 2016-12-14 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors. Bioorg. Med. Chem. Lett., 26, 2016
4U7V	Structure of wild-type HIV protease in complex with degraded photosensitive inhibitor 分子名称: BETA-MERCAPTOETHANOL, N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-L-valinamide, V-1 protease 著者 Pachl, P, Rezacova, P, Schimer, J. 登録日 2014-07-31 公開日 2015-03-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. Nat Commun, 6, 2015
6HY8	Cu(II)-substituted Wells-Dawson binding to Hen Egg-White Lysozyme (HEWL) 分子名称: CHLORIDE ION, Cu(II)-substituted Wells-Dawson, Lysozyme C, ... 著者 Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. 登録日 2018-10-19 公開日 2019-10-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Noncovalent Complexes Formed between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme Eur J Inorg Chem, 2019
7BYP	Lysozyme structure SASE1 from SASE mode 分子名称: Lysozyme C 著者 Kang, H.S, Lee, S.J. 登録日 2020-04-24 公開日 2021-03-31 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range Nat Photonics, 2021
6HYF	Crystal structure of the third FNIII domain from rat beta4 integrin, a binding site for periaxin 分子名称: Integrin beta-4 著者 Raasakka, A, Kursula, P. 登録日 2018-10-20 公開日 2019-05-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Direct Binding of the Flexible C-Terminal Segment of Periaxin to beta 4 Integrin Suggests a Molecular Basis for CMT4F. Front Mol Neurosci, 12, 2019
5HMJ	Re-refinement of 4xan: hen lysozyme with carboplatin in sodium bromide solution 分子名称: ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ... 著者 Helliwell, J.R. 登録日 2016-01-16 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.299901 Å) 主引用文献 Re-refinement of 4xan: hen egg-white lysozyme with carboplatin in sodium bromide solution. Acta Crystallogr F Struct Biol Commun, 72, 2016
4UAL	MRCK beta in complex with BDP00005290 分子名称: 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... 著者 Schuettelkopf, A.W. 登録日 2014-08-10 公開日 2014-10-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 A novel small-molecule MRCK inhibitor blocks cancer cell invasion. Cell Commun. Signal, 12, 2014
8BD0	Human Gamma-D crystallin R36S mutant with DTT-Cystein Protein modification 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Human Gamma-D Crystallin R36S 著者 Yorke, B.A, Hill, J.A. 登録日 2022-10-17 公開日 2023-11-01 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin. Commun Chem, 7, 2024
4U8Z	Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) 分子名称: 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 著者 Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. 登録日 2014-08-05 公開日 2015-03-18 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
4UBS	The crystal structure of cytochrome P450 105D7 from Streptomyces avermitilis in complex with Diclofenac 分子名称: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... 著者 Xu, L.H, Ikeda, H, Arakawa, T, Wakagi, T, Shoun, H, Fushinobu, S. 登録日 2014-08-13 公開日 2014-11-05 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural basis for the 4'-hydroxylation of diclofenac by a microbial cytochrome P450 monooxygenase. Appl.Microbiol.Biotechnol., 99, 2015
4UB7	High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond 分子名称: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha 著者 Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. 登録日 2014-08-12 公開日 2015-07-01 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures. Acs Chem.Biol., 10, 2015
6WAX	C-terminal SH2 domain of p120RasGAP 分子名称: 1,2-ETHANEDIOL, Ras GTPase-activating protein 1, SULFATE ION 著者 Jaber Chehayeb, R, Wang, J, Stiegler, A.L, Boggon, T.J. 登録日 2020-03-26 公開日 2020-06-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The GTPase-activating protein p120RasGAP has an evolutionarily conserved "FLVR-unique" SH2 domain. J.Biol.Chem., 295, 2020
7BU4	Crystal structure of CK2a1 complexed with KY49 分子名称: 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid, Casein Kinase 2 subunit alpha 著者 Tsuyuguchi, M, Kinoshita, T. 登録日 2020-04-04 公開日 2021-04-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.70227313 Å) 主引用文献 Design, synthesis and SAR studies of protein kinase CK2 inhibitors with a purine scaffold To Be Published

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