5CXZ
| SYK catalytic domain complexed with naphthyridine inhibitor | 分子名称: | CHLORIDE ION, GLYCEROL, N-{7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl}propane-1,3-diamine, ... | 著者 | Thoma, G, Veenstra, S, Strang, R, Blanz, J, Vangrevelinghe, E, Berghausen, J, Lee, C.C, Zerwes, H.-G. | 登録日 | 2015-07-29 | 公開日 | 2015-09-16 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg.Med.Chem.Lett., 25, 2015
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6KDV
| Crystal structure of TtCas1-DNA complex | 分子名称: | CRISPR-associated endonuclease Cas1 2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*GP*GP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*CP*CP*AP*GP*CP*AP*TP*CP*GP*AP*CP*TP*C)-3') | 著者 | Wang, Y.L, Li, J.Z, Yang, J, Wang, J.Y. | 登録日 | 2019-07-02 | 公開日 | 2019-12-18 | 最終更新日 | 2020-05-06 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | Crystal structure of Cas1 in complex with branched DNA. Sci China Life Sci, 63, 2020
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5Z9Z
| The C-terminal RRM domain of Arabidopsis SMALL RNA DEGRADING NUCLEASE 1 (E329A/E330A/E332A) | 分子名称: | CITRATE ANION, Small RNA degrading nuclease 1 | 著者 | Chen, J, Liu, L, You, C, Gu, J, Ruan, W, Zhang, L, Cao, C, Gan, J, Huang, Y, Chen, X, Ma, J. | 登録日 | 2018-02-05 | 公開日 | 2018-06-27 | 最終更新日 | 2018-10-03 | 実験手法 | X-RAY DIFFRACTION (2.049 Å) | 主引用文献 | Structural and biochemical insights into small RNA 3' end trimming by Arabidopsis SDN1. Nat Commun, 9, 2018
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5DDU
| Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PMP | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CrmG, GLYCEROL, ... | 著者 | Xu, J, Feng, Z, Liu, J. | 登録日 | 2015-08-25 | 公開日 | 2016-08-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis Acs Chem.Biol., 11, 2016
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4JCL
| Crystal structure of Alpha-CGT from Paenibacillus macerans at 1.7 Angstrom resolution | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | 著者 | Wu, L, Zhou, J, Wu, J, Li, J, Chen, J. | 登録日 | 2013-02-22 | 公開日 | 2014-02-26 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structure of Alpha-Cgt from Paenibacillus Macerans at 1.7 Angstrom Resolution To be Published
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3AAP
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5A0E
| Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | 分子名称: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | 著者 | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | 登録日 | 2015-04-19 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis. J.Biol.Chem., 291, 2016
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2FH7
| Crystal structure of the phosphatase domains of human PTP SIGMA | 分子名称: | Receptor-type tyrosine-protein phosphatase S | 著者 | Alvarado, J, Udupi, R, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Rooney, I, Maletic, M, Bain, K.T, Freeman, J.C, Russell, M, Thompson, D.A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2005-12-23 | 公開日 | 2006-01-10 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural genomics of protein phosphatases. J.STRUCT.FUNCT.GENOM., 8, 2007
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1ZZS
| Bovine eNOS N368D single mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | 著者 | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | 登録日 | 2005-06-14 | 公開日 | 2005-12-06 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry, 44, 2005
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4AJP
| Human LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol- 6yl)amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid | 分子名称: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, SULFATE ION, ... | 著者 | Tucker, J.A, Brassington, C, Caputo, A, Ward, R, Pearson, S, Watson, M, Tart, J, Davies, G. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4PAL
| IONIC INTERACTIONS WITH PARVALBUMINS. CRYSTAL STRUCTURE DETERMINATION OF PIKE 4.10 PARVALBUMIN IN FOUR DIFFERENT IONIC ENVIRONMENTS | 分子名称: | CALCIUM ION, MAGNESIUM ION, PARVALBUMIN | 著者 | Declercq, J.P, Tinant, B, Parello, J, Rambaud, J. | 登録日 | 1990-11-08 | 公開日 | 1992-01-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Ionic interactions with parvalbumins. Crystal structure determination of pike 4.10 parvalbumin in four different ionic environments. J.Mol.Biol., 220, 1991
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3AE9
| Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Pentafluorophenyloxy-phenyl)-2-trifluoromethyl-benzamide | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. | 登録日 | 2010-02-04 | 公開日 | 2011-02-09 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
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4PYW
| 1.92 angstrom crystal structure of A1AT:TTAI ternary complex | 分子名称: | ACE-THR-THR-ALA-ILE-NH2, Alpha-1-antitrypsin, GLYCEROL | 著者 | Nyon, M.P, Day, J, Gooptu, B. | 登録日 | 2014-03-28 | 公開日 | 2015-06-10 | 最終更新日 | 2022-08-24 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | An integrative approach combining ion mobility mass spectrometry, X-ray crystallography, and nuclear magnetic resonance spectroscopy to study the conformational dynamics of alpha 1 -antitrypsin upon ligand binding. Protein Sci., 24, 2015
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4Q1B
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4Q1D
| Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine} | 分子名称: | (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | 著者 | Nomme, J, Lavie, A. | 登録日 | 2014-04-03 | 公開日 | 2015-02-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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5A8Y
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | 著者 | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | 登録日 | 2015-07-17 | 公開日 | 2016-08-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: In Vivo Efficacy of the Polar Pyrimidopyridazine Bay-8040 in a Pulmonary Arterial Hypertension Rat Model. Chemmedchem, 11, 2016
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7X6I
| Cryo-EM structure of the human TRPC5 ion channel in complex with G alpha i3 subunits, class1 | 分子名称: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Won, J, Jeong, H, Lee, H.H. | 登録日 | 2022-03-07 | 公開日 | 2023-04-26 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | 主引用文献 | Molecular architecture of the G alpha i -bound TRPC5 ion channel. Nat Commun, 14, 2023
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3ZKS
| BACE2 XAPERONE COMPLEX WITH INHIBITOR | 分子名称: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, XA4813 | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | 登録日 | 2013-01-24 | 公開日 | 2013-05-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D, 69, 2013
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1ZZQ
| Rat nNOS D597N mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | 著者 | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | 登録日 | 2005-06-14 | 公開日 | 2005-12-06 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases. Biochemistry, 44, 2005
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4ETA
| Lysozyme, room temperature, 400 kGy dose | 分子名称: | CHLORIDE ION, Lysozyme C | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | 登録日 | 2012-04-24 | 公開日 | 2012-06-13 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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2FG5
| Crystal structure of human RAB31 in complex with a GTP analogue | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-31 | 著者 | Tempel, W, Wang, J, Ismail, S, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | 登録日 | 2005-12-21 | 公開日 | 2006-01-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | 主引用文献 | Crystal structure of human RAB31 in complex with a GTP analogue To be Published
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7X6C
| Cryo-EM structure of the human TRPC5 ion channel in lipid nanodiscs, class1 | 分子名称: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, ... | 著者 | Won, J, Jeong, H, Lee, H.H. | 登録日 | 2022-03-07 | 公開日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | 主引用文献 | Molecular architecture of the G alpha i -bound TRPC5 ion channel. Nat Commun, 14, 2023
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5D8A
| Crystal structure of recombinant foot-and-mouth-disease virus A22-H2093F empty capsid | 分子名称: | VP1, VP2, VP3, ... | 著者 | Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I. | 登録日 | 2015-08-16 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-based energetics of protein interfaces guides foot-and-mouth disease virus vaccine design. Nat.Struct.Mol.Biol., 22, 2015
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4Q18
| Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol] | 分子名称: | 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | 著者 | Nomme, J, Lavie, A. | 登録日 | 2014-04-03 | 公開日 | 2014-11-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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5DCP
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