7SQ7
 
 | | Cryo-EM structure of mouse PI(3,5)P2-bound TRPML1 channel at 2.41 Angstrom resolution | | 分子名称: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, ... | | 著者 | Gan, N, Han, Y, Jiang, Y. | | 登録日 | 2021-11-04 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (2.41 Å) | | 主引用文献 | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4Q6F
 | | Crystal structure of human BAZ2A PHD zinc finger in complex with unmodified H3K4 histone peptide | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, ZINC ION, ... | | 著者 | Tallant, C, Overvoorde, L, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-04-22 | | 公開日 | 2014-05-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
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7AD6
 | | Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide. | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | | 著者 | Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R. | | 登録日 | 2020-09-14 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
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9MDK
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5EAT
 | | 5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM WITH SUBSTRATE ANALOG FARNESYL HYDROXYPHOSPHONATE | | 分子名称: | 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID, 5-EPI-ARISTOLOCHENE SYNTHASE, MAGNESIUM ION | | 著者 | Starks, C.M, Back, K, Chappell, J, Noel, J.P. | | 登録日 | 1997-07-24 | | 公開日 | 1997-11-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase.
Science, 277, 1997
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3DS6
 | | P38 complex with a phthalazine inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | | 著者 | Herberich, B, Syed, R, Li, V, Grosfeld, D. | | 登録日 | 2008-07-11 | | 公開日 | 2008-10-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.
J.Med.Chem., 51, 2008
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8BW1
 | | Yeast 20S proteasome in complex with an engineered fellutamide derivative (C14QAL) | | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Bozhueyuek, K.A.J, Praeve, L, Kegler, C, Kaiser, S, Shi, Y, Kuttenlochner, W, Schenk, L, Groll, M, Hochberg, G.K.A, Bode, H.B. | | 登録日 | 2022-12-06 | | 公開日 | 2023-12-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Evolution-inspired engineering of nonribosomal peptide synthetases.
Science, 383, 2024
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3HBG
 | | Structure of recombinant Chicken Liver Sulfite Oxidase mutant C185S | | 分子名称: | HYDROXY(DIOXO)MOLYBDENUM, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, Sulfite Oxidase mutant C185S | | 著者 | Qiu, J.A. | | 登録日 | 2009-05-04 | | 公開日 | 2010-04-14 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The structures of the C185S and C185A mutants of sulfite oxidase reveal rearrangement of the active site.
Biochemistry, 49, 2010
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6DWE
 | | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and BRD0059-bound form | | 分子名称: | (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ... | | 著者 | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-06-26 | | 公開日 | 2018-07-11 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.691 Å) | | 主引用文献 | Crystal structure of tryptophan synthase from M. tuberculosis - closed form with BRD6309 bound
To be Published
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6C3D
 | | O2-, PLP-dependent L-arginine hydroxylase RohP quinonoid II complex | | 分子名称: | (2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Hedges, J.B, Ryan, K.S. | | 登録日 | 2018-01-09 | | 公開日 | 2018-03-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
ACS Chem. Biol., 13, 2018
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6DOA
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5WU3
 | | Crystal structure of human Tut1 bound with MgUTP, form II | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Yamashita, S, Tomita, K. | | 登録日 | 2016-12-16 | | 公開日 | 2017-05-31 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.703 Å) | | 主引用文献 | Crystal structures of U6 snRNA-specific terminal uridylyltransferase
Nat Commun, 8, 2017
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8YJC
 | | Structure of Vibrio vulnificus MARTX cysteine protease domain C3727A | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, INOSITOL HEXAKISPHOSPHATE, Multifunctional autoprocessing repeat-in-toxin (MARTX), ... | | 著者 | Chen, L, Khan, H, Tan, L, Li, X, Zhang, G, Im, Y.J. | | 登録日 | 2024-03-01 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural basis of the activation of MARTX cysteine protease domain from Vibrio vulnificus.
Plos One, 19, 2024
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6KIA
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5GOR
 | | Crystal structure of alkaline invertase InvA from Anabaena sp. PCC 7120 | | 分子名称: | Alkaline Invertase, GLYCEROL, SULFATE ION | | 著者 | Xie, J, Cai, K, Hu, H.X, Jiang, Y.L, Yang, F, Hu, P.F, Chen, Y, Zhou, C.Z. | | 登録日 | 2016-07-28 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.673 Å) | | 主引用文献 | Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase
J. Biol. Chem., 291, 2016
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6G2N
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5G27
 | | Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at Room Temperature | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ENDOLYSIN, ... | | 著者 | Gohlke, U, Consentius, P, Loll, B, Mueller, R, Kaupp, M, Heinemann, U, Risse, T. | | 登録日 | 2016-04-07 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-Ray Crystallography and Site-Directed Spin Labeling.
J.Am.Chem.Soc., 138, 2016
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9G68
 | | Crystal structure of Rhizobium etli L-asparaginase ReAV K138A mutant in complex with L-Asn | | 分子名称: | 1,2-ETHANEDIOL, ASPARAGINE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | 登録日 | 2024-07-18 | | 公開日 | 2025-01-15 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Controlling enzyme activity by mutagenesis and metal exchange to obtain crystal structures of stable substrate complexes of Class 3 l-asparaginase.
Febs J., 292, 2025
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5W9E
 | | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | | 分子名称: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | | 著者 | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | | 登録日 | 2017-06-23 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
To be published
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5W85
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9G66
 | | Crystal structure of WT Rhizobium etli L-asparaginase ReAV in complex with L-Asn | | 分子名称: | 1,2-ETHANEDIOL, ASPARAGINE, CADMIUM ION, ... | | 著者 | Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M. | | 登録日 | 2024-07-18 | | 公開日 | 2025-01-15 | | 最終更新日 | 2025-03-19 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Controlling enzyme activity by mutagenesis and metal exchange to obtain crystal structures of stable substrate complexes of Class 3 l-asparaginase.
Febs J., 292, 2025
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9MIE
 | | Human NLRP3 complex with compound 2 in the closed hexamer | | 分子名称: | (2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-yl)-5-(trifluoromethyl)phenol, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | | 著者 | Mammoliti, O, Carbajo, R.J, Perez-Benito, L, Yu, X. | | 登録日 | 2024-12-12 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | | 主引用文献 | Discovery of Potent and Brain-Penetrant Bicyclic NLRP3 Inhibitors with Peripheral and Central In Vivo Activity.
J.Med.Chem., 68, 2025
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9MIG
 | | Cryo-EM structure of Human NLRP3 complex with compound 3 | | 分子名称: | (2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol, ADENOSINE-5'-TRIPHOSPHATE, NACHT, ... | | 著者 | Mammoliti, O, Carbajo, R.J, Perez-Benito, L, Yu, X, Prieri, M.L.C, Bontempi, L, Embrechts, S, Paesmans, I, Bassi, M, Bhattacharya, A, Roman, S.C, Hoog, S.D, Demin, S, Gijsen, H.J.M, Hache, G, Jacobs, T, Jerhaoui, S, Leenaerts, J, Lutter, F.H, Matico, R, Oehlrich, D, Perrier, M, Ryabchuk, P, Schepens, W, Sharma, S, Somers, M, Suarez, J, Surkyn, M, Opdenbosch, N.V, Verhulst, T, Bottelbergs, A. | | 登録日 | 2024-12-12 | | 公開日 | 2025-02-26 | | 最終更新日 | 2025-03-12 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Discovery of Potent and Brain-Penetrant Bicyclic NLRP3 Inhibitors with Peripheral and Central In Vivo Activity.
J.Med.Chem., 68, 2025
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5JTU
 | | Crystal structure of GPb in complex with 8b | | 分子名称: | (1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | | 登録日 | 2016-05-09 | | 公開日 | 2016-08-24 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
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5WCX
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