6APK
 
 | | Trans-acting transferase from Disorazole synthase solved by serial femtosecond XFEL crystallography | | 分子名称: | DisD protein | | 著者 | Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Khosla, C, Soltis, S.M, Cohen, A.E. | | 登録日 | 2017-08-17 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
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6APB
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5NBX
 | | ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-9]-OH | | 分子名称: | ACY-2L5-PRO-PRO-8SN, BROMIDE ION, Protein enabled homolog | | 著者 | Barone, M, Roske, Y. | | 登録日 | 2017-03-02 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5VZY
 | | Crystal structure of crenezumab Fab in complex with Abeta | | 分子名称: | Amyloid beta A4 protein, Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Crenezumab Fab light chain,Immunoblobulin light chain | | 著者 | Ultsch, M, Wang, W. | | 登録日 | 2017-05-29 | | 公開日 | 2017-08-09 | | 最終更新日 | 2017-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin.
Sci Rep, 6, 2016
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8G49
 | | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound | | 分子名称: | Fluorophosphonate-binding serine hydrolase E, methyl 2-formyl-2-[3-methyl-4-(3-phenoxybenzamido)phenyl]hydrazine-1-carboxylate | | 著者 | Fellner, M, Bakker, A.T, Martin, N.I, Stelt, M. | | 登録日 | 2023-02-08 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound
To be published
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6N9Q
 | | Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bind to substrate C4-AHL | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ... | | 著者 | Bergonzi, C, Schwab, M, Elias, M. | | 登録日 | 2018-12-03 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
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1L1E
 | | Crystal Structure of Mycolic Acid Cyclopropane Synthase PcaA Complexed with S-adenosyl-L-homocysteine | | 分子名称: | CARBONATE ION, S-ADENOSYL-L-HOMOCYSTEINE, mycolic acid synthase | | 著者 | Huang, C.-C, Smith, C.V, Glickman, M.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2002-02-15 | | 公開日 | 2002-03-06 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis.
J.Biol.Chem., 277, 2002
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6BJM
 | | Human ABO(H) blood group glycosyltransferase GTB R188K mutant | | 分子名称: | ABO blood group (Transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ... | | 著者 | Gagnon, S.M.L, Legg, M.S.G, Evans, S.V. | | 登録日 | 2017-11-06 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Conserved residues Arg188 and Asp302 are critical for active site organization and catalysis in human ABO(H) blood group A and B glycosyltransferases.
Glycobiology, 28, 2018
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1L0R
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7B83
 | | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | | 分子名称: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ... | | 著者 | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | 登録日 | 2020-12-12 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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8OFK
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under reducing conditions (space group C 2 2 21) | | 分子名称: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ... | | 著者 | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | 登録日 | 2023-03-15 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.713 Å) | | 主引用文献 | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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5N18
 | | Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2) | | 分子名称: | 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL | | 著者 | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | 登録日 | 2017-02-05 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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5CWZ
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8OIH
 | | Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group C 2 2 21) | | 分子名称: | 1,2-ETHANEDIOL, 8-AZAXANTHINE, BROMIDE ION, ... | | 著者 | Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A. | | 登録日 | 2023-03-22 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
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1LMH
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1PT6
 | | I domain from human integrin alpha1-beta1 | | 分子名称: | GLYCEROL, Integrin alpha-1, MAGNESIUM ION | | 著者 | Nymalm, Y, Puranen, J.S, Nyholm, T.K.M, Kapyla, J, Kidron, H, Pentikainen, O, Airenne, T.T, Heino, J, Slotte, J.P, Johnson, M.S, Salminen, T.A. | | 登録日 | 2003-06-23 | | 公開日 | 2004-04-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Jararhagin-derived RKKH peptides induce structural changes in alpha1I domain of human integrin alpha1beta1.
J.Biol.Chem., 279, 2004
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6C3E
 | | CRYSTAL STRUCTURE OF RIP1 KINASE BOUND TO INHIBITOR | | 分子名称: | 2-benzyl-5-nitro-1H-benzimidazole, Receptor-interacting serine/threonine-protein kinase 1 | | 著者 | Saikatendu, K.S, Yoshikawa, M. | | 登録日 | 2018-01-09 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of 7-Oxo-2,4,5,7-tetrahydro-6 H-pyrazolo[3,4- c]pyridine Derivatives as Potent, Orally Available, and Brain-Penetrating Receptor Interacting Protein 1 (RIP1) Kinase Inhibitors: Analysis of Structure-Kinetic Relationships.
J. Med. Chem., 61, 2018
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6NB5
 | | Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment | | 分子名称: | LCA60 antigen-binding (Fab) fragment, heavy chain, light chain | | 著者 | Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2018-12-06 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
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1PXA
 | | CRYSTAL STRUCTURES OF MUTANT PSEUDOMONAS AERUGINOSA P-HYDROXYBENZOATE HYDROXYLASE: THE TYR201PHE, TYR385PHE, AND ASN300ASP VARIANTS | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID | | 著者 | Lah, M.S, Palfey, B.A, Schreuder, H.A, Ludwig, M.L. | | 登録日 | 1994-09-27 | | 公開日 | 1995-02-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structures of mutant Pseudomonas aeruginosa p-hydroxybenzoate hydroxylases: the Tyr201Phe, Tyr385Phe, and Asn300Asp variants.
Biochemistry, 33, 1994
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5D4J
 | | Chloride-bound form of a copper nitrite reductase from Alcaligenes faecals | | 分子名称: | ACETIC ACID, CHLORIDE ION, COPPER (II) ION, ... | | 著者 | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | | 登録日 | 2015-08-07 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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5D9C
 | | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | | 著者 | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | 登録日 | 2015-08-18 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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7QQE
 | | Nuclear factor one X - NFIX in P41212 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nuclear factor 1 X-type, ZINC ION | | 著者 | Lapi, M, Chaves-Sanjuan, A, Gourlay, L.J, Tiberi, M, Polentarutti, M, Demitri, N, Bais, G, Nardini, M. | | 登録日 | 2022-01-07 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Nuclear factor one X - NFIX in P41212
To Be Published
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7QQD
 | | Nuclear factor one X - NFIX in P21 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NFI binding site (forward), NFI binding site (reverse), ... | | 著者 | Lapi, M, Chaves-Sanjuan, A, Gourlay, L.J, Tiberi, M, Polentarutti, M, Demitri, N, Bais, G, Nardini, M. | | 登録日 | 2022-01-07 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Nuclear factor one X - NFIX in P41212
To Be Published
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7QRM
 | | Cryo-EM structure of catalytically active Spinacia oleracea cytochrome b6f in complex with endogenous plastoquinones at 2.7 A resolution | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | | 著者 | Sarewicz, M, Szwalec, M, Indyka, P, Rawski, M, Pintscher, S, Pietras, R, Mielecki, B, Jaciuk, M, Glatt, S, Osyczka, A. | | 登録日 | 2022-01-11 | | 公開日 | 2023-01-25 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | High-resolution cryo-EM structures of plant cytochrome b 6 f at work.
Sci Adv, 9, 2023
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5N15
 | | First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ... | | 著者 | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | | 登録日 | 2017-02-05 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
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