8SIA
| Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor NS8593 in closed state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ... | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-04-14 | 公開日 | 2023-05-17 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition. Nat Commun, 14, 2023
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8SI2
| Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in apo state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CHOLESTEROL, ... | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-04-14 | 公開日 | 2023-05-17 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition. Nat Commun, 14, 2023
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7UF9
| CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I. | 登録日 | 2022-03-22 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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8SI3
| Cryo-EM structure of TRPM7 in GDN detergent in apo state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ... | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-04-14 | 公開日 | 2023-05-17 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition. Nat Commun, 14, 2023
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8SI8
| Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor VER155008 in closed state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ... | 著者 | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-04-14 | 公開日 | 2023-05-17 | 最終更新日 | 2023-05-24 | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | 主引用文献 | Structural mechanisms of TRPM7 activation and inhibition. Nat Commun, 14, 2023
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7UFE
| Human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide, ... | 著者 | Sevrioukova, I.F. | 登録日 | 2022-03-22 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFA
| CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 著者 | Sevrioukova, I. | 登録日 | 2022-03-22 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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6APM
| Hen egg-white lysozyme (WT), solved with serial millisecond crystallography using synchrotron radiation | 分子名称: | Lysozyme C, SODIUM ION | 著者 | Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, 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 (2.05 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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7UFB
| CYP3A4 bound to an inhibitor | 分子名称: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[2-(pyridin-3-yl)acetamido]propyl}sulfanyl)-N-[(pyridin-3-yl)methyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I. | 登録日 | 2022-03-22 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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8B2D
| CRYSTAL STRUCTURE OF BACTERIAL FLAVIN CONTAINING MONOOXYGENASE THERMORESISTANT MUTANT, IN COMPLEX WITH NADP+ | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Cea-Rama, I, Sanz-Aparicio, J, Ferrer Martinez, M, Goris, M, Bjerga, G. | 登録日 | 2022-09-13 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Increased Thermostability of an Engineered Flavin-Containing Monooxygenase to Remediate Trimethylamine in Fish Protein Hydrolysates. Appl.Environ.Microbiol., 89, 2023
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4DYM
| Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 | 分子名称: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ... | 著者 | Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2012-02-29 | 公開日 | 2012-03-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 To be Published
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2WWH
| Plasmodium falciparum thymidylate kinase in complex with AP5dT | 分子名称: | P1-(5'-ADENOSYL)P5-(5'-THYMIDYL)PENTAPHOSPHATE, SODIUM ION, THYMIDILATE KINASE, ... | 著者 | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P.G, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | 登録日 | 2009-10-23 | 公開日 | 2010-04-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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2B61
| Crystal Structure of Homoserine Transacetylase | 分子名称: | Homoserine O-acetyltransferase | 著者 | Mirza, I.A, Nazi, I, Korczynska, M, Wright, G.D, Berghuis, A.M. | 登録日 | 2005-09-29 | 公開日 | 2005-11-15 | 最終更新日 | 2018-02-07 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal Structure of Homoserine Transacetylase from Haemophilus influenzae Reveals a New Family of alpha/beta-Hydrolases Biochemistry, 44, 2005
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8ABS
| Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid | 分子名称: | (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ... | 著者 | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | 登録日 | 2022-07-04 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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8ABR
| Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid | 分子名称: | Cytochrome P450, HEME B/C, HEXANOIC ACID, ... | 著者 | Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H. | 登録日 | 2022-07-04 | 公開日 | 2023-07-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling. Febs J., 290, 2023
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5J0E
| Crystal structures of Pribnow box consensus promoter sequence (P32) | 分子名称: | Complementary sequence, Pribnow box consensus promoter sequence, ZINC ION | 著者 | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | 登録日 | 2016-03-28 | 公開日 | 2016-05-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structure elucidation of the Pribnow box consensus promoter sequence by racemic DNA crystallography. Nucleic Acids Res., 44, 2016
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3FWI
| Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, tetragonal crystal form | 分子名称: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | 著者 | Schlichting, I, von Koenig, K, Aldag, C, Hilvert, D. | 登録日 | 2009-01-18 | 公開日 | 2009-03-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
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7UQW
| PCC6803 Cyanophycinase S132DAP covalently bound to cyanophycin dimer | 分子名称: | (2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid, Cyanophycinase, FORMAMIDE, ... | 著者 | Sharon, I, Schmeing, T.M. | 登録日 | 2022-04-20 | 公開日 | 2022-08-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | The structure of cyanophycinase in complex with a cyanophycin degradation intermediate. Biochim Biophys Acta Gen Subj, 1866, 2022
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3PMH
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8SP8
| Human TRP channel TRPV6 in cNW30 nanodiscs inhibited by tetrahydrocannabivarin (THCV) | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHLORIDE ION, ... | 著者 | Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I. | 登録日 | 2023-05-02 | 公開日 | 2023-08-23 | 実験手法 | ELECTRON MICROSCOPY (2.79 Å) | 主引用文献 | Molecular pathway and structural mechanism of human oncochannel TRPV6 inhibition by the phytocannabinoid tetrahydrocannabivarin. Nat Commun, 14, 2023
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1NAK
| IGG1 FAB FRAGMENT (83.1) COMPLEX WITH 16-RESIDUE PEPTIDE (RESIDUES 304-321 OF HIV-1 GP120 (MN ISOLATE)) | 分子名称: | Fab 83.1 - heavy chain, Fab 83.1 - light chain, Peptide MP1 | 著者 | Stanfield, R.L, Ghiara, J.B, Saphire, E.O, Profy, A.T, Wilson, I.A. | 登録日 | 2002-11-27 | 公開日 | 2003-11-18 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Recurring conformation of the human immunodeficiency virus type 1 gp120 V3 loop. Virology, 315, 2003
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7UPS
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8SS8
| Structure of AMPA receptor GluA2 complex with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK and antiepileptic drug perampanel (closed state) | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ... | 著者 | Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I. | 登録日 | 2023-05-08 | 公開日 | 2023-09-06 | 最終更新日 | 2023-10-25 | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | 主引用文献 | Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2. Nat.Struct.Mol.Biol., 30, 2023
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8B1K
| DtpB-Nb132-NV | 分子名称: | ASN-VAL, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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8B1D
| DtpB-Nb132-APF | 分子名称: | ALA-PRO-PHE, DECANE, DODECANE, ... | 著者 | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | 登録日 | 2022-09-09 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition. Cell Rep, 42, 2023
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