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PDB: 52230 件

5JQ2
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BU of 5jq2 by Molmil
Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with N-palmitoylglycine
分子名称: N-PALMITOYLGLYCINE, P450 BM3 L407C heme domain mutant, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Kloos, M.
登録日2016-05-04
公開日2016-10-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies.
Biochim.Biophys.Acta, 1864, 2016
6OWJ
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BU of 6owj by Molmil
Zn-mediated polymerization of human SFPQ
分子名称: Splicing factor, proline- and glutamine-rich, ZINC ION
著者Lee, M.
登録日2019-05-10
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis of the zinc-induced cytoplasmic aggregation of the RNA-binding protein SFPQ.
Nucleic Acids Res., 48, 2020
6S19
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BU of 6s19 by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from all available diffraction patterns
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.Ch.
登録日2019-06-18
公開日2020-07-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6MG0
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BU of 6mg0 by Molmil
Crystal structure of a 5-domain construct of LgrA in the thiolation state
分子名称: 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, Linear gramicidin synthase subunit A
著者Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M.
登録日2018-09-12
公開日2019-11-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
5CN9
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Ultrafast dynamics in myoglobin: 0.4 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
8CF0
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BU of 8cf0 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
分子名称: 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-02
公開日2024-02-21
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
6S1D
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BU of 6s1d by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 4.57 keV from 20,000 diffraction patterns
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
登録日2019-06-18
公開日2020-07-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6S1G
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BU of 6s1g by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from 50,000 diffraction patterns.
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
登録日2019-06-18
公開日2020-07-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
6LTN
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BU of 6ltn by Molmil
cryo-EM structure of C-terminal truncated human Pannexin1
分子名称: Pannexin-1
著者Mou, L.Q, Ke, M, Xiao, Q.J, Wu, J.P, Deng, D.
登録日2020-01-23
公開日2020-05-13
最終更新日2020-05-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for gating mechanism of Pannexin 1 channel.
Cell Res., 30, 2020
6LYW
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BU of 6lyw by Molmil
Structural insight into the biological functions of Arabidopsis thaliana ACHT1
分子名称: GLYCEROL, SULFATE ION, Thioredoxin-like 2-1, ...
著者Wang, J.C, Pan, W.M, Wang, M.Z, Zhang, M.
登録日2020-02-16
公開日2020-05-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insight into the biological functions of Arabidopsis thaliana ACHT1.
Int.J.Biol.Macromol., 158, 2020
6FKZ
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BU of 6fkz by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(phenylthio)succinyl-CPS1 peptide
分子名称: 3(R)-(phenylthio)succinyl-CPS1 peptide, 3(S)-(phenylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Pannek, M, Steegborn, C.
登録日2018-01-25
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
8CG9
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BU of 8cg9 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
分子名称: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ...
著者Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
登録日2023-02-03
公開日2024-02-21
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target.
Chem Sci, 15, 2024
6M7G
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BU of 6m7g by Molmil
Crystal structure of ArsN, N-acetyltransferase with substrate phosphinothricin from Pseudomonas putida KT2440
分子名称: PHOSPHINOTHRICIN, Phosphinothricin N-acetyltransferase
著者Venkadesh, S, Dheeman, D.S, Yoshinaga, M, Kandavelu, P, Rosen, B.P.
登録日2018-08-20
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.657 Å)
主引用文献Arsinothricin, an arsenic-containing non-proteinogenic amino acid analog of glutamate, is a broad-spectrum antibiotic.
Commun Biol, 2, 2019
6FGP
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BU of 6fgp by Molmil
NMR solution structure of monomeric CCL5 in complex with a doubly-sulfated N-terminal segment of CCR5
分子名称: C-C chemokine receptor type 5, C-C motif chemokine 5
著者Anglister, J, Abayev, M.
登録日2018-01-11
公開日2018-04-18
最終更新日2022-03-30
実験手法SOLUTION NMR
主引用文献The solution structure of monomeric CCL5 in complex with a doubly sulfated N-terminal segment of CCR5.
FEBS J., 285, 2018
2EHZ
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BU of 2ehz by Molmil
Anaerobic Crystal Structure Analysis of 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexed with 4-methylcatechol
分子名称: 1,2-ETHANEDIOL, 1,2-dihydroxynaphthalene dioxygenase, 4-METHYLCATECHOL, ...
著者Neau, D.B, Kelker, M.S, Colbert, C.L, Bolin, J.T.
登録日2007-03-10
公開日2008-02-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural explanation for success and failure in the enzymatic ring-cleavage of 3,4 dihydroxybiphenyl and related PCB metabolites
To be Published
6XTW
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BU of 6xtw by Molmil
HumRadA33F in complex with peptidic inhibitor 6
分子名称: DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
著者Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6MFW
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BU of 6mfw by Molmil
Crystal structure of a 4-domain construct of LgrA in the substrate donation state
分子名称: (2~{R})-~{N}-[3-[2-[[(2~{S})-2-formamido-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-butanamide, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Linear gramicidin synthase subunit A, ...
著者Reimer, J.M, Eivaskhani, M, Schmeing, T.M.
登録日2018-09-12
公開日2019-11-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
6XWE
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BU of 6xwe by Molmil
Crystal structure of LYK3 ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETONITRILE, LysM domain receptor-like kinase 3, ...
著者Gysel, K, Blaise, M, Andersen, K.R.
登録日2020-01-23
公開日2020-08-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Ligand-recognizing motifs in plant LysM receptors are major determinants of specificity.
Science, 369, 2020
8C21
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BU of 8c21 by Molmil
Tetrameric 5-HT3A receptor in Salipro (holo, asymmetric)
分子名称: 5-hydroxytryptamine receptor 3A, SEROTONIN
著者Introini, B, Kudryashev, M.
登録日2022-12-21
公開日2024-07-10
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of tetrameric forms of the serotonin-gated 5-HT3 A receptor ion channel.
Embo J., 43, 2024
6S1E
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BU of 6s1e by Molmil
Structure of thaumatin determined at SwissFEL using native-SAD at 6.06 keV from all available diffraction patterns
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Nass, K, Cheng, R, Vera, L, Mozzanica, A, Redford, S, Ozerov, D, Basu, S, James, D, Knopp, G, Cirelli, C, Martiel, I, Casadei, C, Weinert, T, Nogly, P, Skopintsev, P, Usov, I, Leonarski, F, Geng, T, Rappas, M, Dore, A.S, Cooke, R, Nasrollahi Shirazi, S, Dworkowski, F, Sharpe, M, Olieric, N, Steinmetz, M.O, Schertler, G, Abela, R, Patthey, L, Schmitt, B, Hennig, M, Standfuss, J, Wang, M, Milne, J.C.
登録日2019-06-18
公開日2020-07-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Advances in long-wavelength native phasing at X-ray free-electron lasers.
Iucrj, 7, 2020
8C1Z
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BU of 8c1z by Molmil
Tetrameric 5-HT3aR in Salipro (apo state, symmetric)
分子名称: 5-hydroxytryptamine receptor 3A
著者Introini, B, Kudryashev, M.
登録日2022-12-21
公開日2024-07-10
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of tetrameric forms of the serotonin-gated 5-HT3 A receptor ion channel.
Embo J., 43, 2024
5CNC
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BU of 5cnc by Molmil
Ultrafast dynamics in myoglobin: 0.6 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
8C1W
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BU of 8c1w by Molmil
Tetrameric 5-HT3A receptor in Salipro (apo, asymmetric)
分子名称: 5-hydroxytryptamine receptor 3A
著者Introini, B, Kudryashev, M.
登録日2022-12-21
公開日2024-07-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of tetrameric forms of the serotonin-gated 5-HT3 A receptor ion channel.
Embo J., 43, 2024
6S26
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BU of 6s26 by Molmil
Crystal structure of human wild type STING in complex with 2'-3'-cyclic-GMP-7-deaza-AMP
分子名称: 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein
著者Boura, E, Smola, M, Brynda, J.
登録日2019-06-20
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
J.Med.Chem., 62, 2019
8C20
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Tetrameric 5-HT3aR in Salipro (holo state, symmetric)
分子名称: 5-hydroxytryptamine receptor 3A, SEROTONIN
著者Introini, B, Kudryashev, M.
登録日2022-12-21
公開日2024-07-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of tetrameric forms of the serotonin-gated 5-HT3 A receptor ion channel.
Embo J., 43, 2024

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