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7CUA
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BU of 7cua by Molmil
The structure of YoeB dimer from Staphylococcus aureus
分子名称: SULFATE ION, YoeB
著者Yue, J, Xue, L.
登録日2020-08-21
公開日2020-09-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Distinct oligomeric structures of the YoeB-YefM complex provide insights into the conditional cooperativity of type II toxin-antitoxin system.
Nucleic Acids Res., 48, 2020
6RZH
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BU of 6rzh by Molmil
Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.947 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6S0F
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BU of 6s0f by Molmil
Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ...
著者Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J.
登録日2019-06-14
公開日2019-11-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
5LLJ
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BU of 5llj by Molmil
Maedi-Visna virus (MVV) integrase C-terminal domain (residues 220-276)
分子名称: CHLORIDE ION, Integrase
著者Pye, V.E, Maskell, D.P, Cherepanov, P.
登録日2016-07-27
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A supramolecular assembly mediates lentiviral DNA integration.
Science, 355, 2017
6S0P
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BU of 6s0p by Molmil
Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana
分子名称: FE (III) ION, Plant cysteine oxidase 4
著者White, M.D, Flashman, E, McDonough, M.A.
登録日2019-06-17
公開日2020-07-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
7C66
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BU of 7c66 by Molmil
Crystal structure of beta-glycosides-binding protein of ABC transporter in a closed state bound to cellobiose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-21
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
6RPR
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BU of 6rpr by Molmil
LEM domain of Emerin mutant T43I in complex with BAF dimer and the Igfold of the lamin A/C
分子名称: LEM domain of emerin mutant T43I, Prelamin-A/C, SULFATE ION, ...
著者Essawy, N, Samson, C.
登録日2019-05-14
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献An Emerin LEM-Domain Mutation Impairs Cell Response to Mechanical Stress.
Cells, 8, 2019
5LNQ
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BU of 5lnq by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetoacetyl-CoA.
分子名称: 3-ketoacyl-CoA thiolase-like protein, ACETOACETYL-COENZYME A
著者Harijan, R.K, Kiema, T.-R, Wierenga, R.K.
登録日2016-08-06
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystallographic substrate binding studies of Leishmania mexicana SCP2-thiolase (type-2): unique features of oxyanion hole-1.
Protein Eng. Des. Sel., 30, 2017
5LOL
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BU of 5lol by Molmil
Glutathione-bound Dehydroascorbate Reductase 2 of Arabidopsis thaliana
分子名称: GLUTATHIONE, GLYCEROL, Glutathione S-transferase DHAR2, ...
著者Young, D.R, Pallo, A, Bodra, N, Messens, J.
登録日2016-08-09
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Arabidopsis thaliana dehydroascorbate reductase 2: Conformational flexibility during catalysis.
Sci Rep, 7, 2017
5LPF
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BU of 5lpf by Molmil
Kallikrein-related peptidase 10
分子名称: Kallikrein-10, SULFATE ION
著者Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H.
登録日2016-08-12
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10.
Biol.Chem., 397, 2016
7C8U
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BU of 7c8u by Molmil
The crystal structure of COVID-19 main protease in complex with GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase
著者Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The crystal structure of COVID-19 main protease in complex with GC376
To Be Published
6RQR
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BU of 6rqr by Molmil
Extended NHERF1 PDZ2 domain in complex with the PDZ-binding motif of CFTR
分子名称: Na(+)/H(+) exchange regulatory cofactor NHE-RF1,Cystic fibrosis transmembrane conductance regulator
著者Martin, E.R, Ford, R.C, Robinson, R.C.
登録日2019-05-16
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献In vivocrystals reveal critical features of the interaction between cystic fibrosis transmembrane conductance regulator (CFTR) and the PDZ2 domain of Na+/H+exchange cofactor NHERF1.
J.Biol.Chem., 295, 2020
5LNX
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BU of 5lnx by Molmil
Crystal structure of MmgC, an acyl-CoA dehydrogenase from bacillus subtilis.
分子名称: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL
著者Baker, G.E, Race, P.R.
登録日2016-08-07
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of acyl-CoA dehydrogenase (MmgC) from bacillus subtilis.
To Be Published
6RR1
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BU of 6rr1 by Molmil
Structure of 10% reduced KpDyP
分子名称: GLYCEROL, Iron-dependent peroxidase, MAGNESIUM ION, ...
著者Pfanzagl, V, Beale, J, Hofbauer, S.
登録日2019-05-16
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray-induced photoreduction of heme metal centers rapidly induces active-site perturbations in a protein-independent manner.
J.Biol.Chem., 295, 2020
5LS7
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BU of 5ls7 by Molmil
Complex of wild type E. coli alpha aspartate decarboxylase with its processing factor PanZ
分子名称: ACETYL COENZYME *A, Aspartate 1-decarboxylase, CARBON DIOXIDE, ...
著者Monteiro, D.C.F, Webb, M.E, Pearson, A.R.
登録日2016-08-22
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献The Mechanism of Regulation of Pantothenate Biosynthesis by the PanD-PanZAcCoA Complex Reveals an Additional Mode of Action for the Antimetabolite N-Pentyl Pantothenamide (N5-Pan).
Biochemistry, 56, 2017
5LQM
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BU of 5lqm by Molmil
Structure of quinolinate synthase Y21F mutant in complex with citrate
分子名称: CITRATE ANION, IRON/SULFUR CLUSTER, Quinolinate synthase A
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2016-08-17
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product.
J.Am.Chem.Soc., 138, 2016
7C6L
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BU of 7c6l by Molmil
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form II)
分子名称: 1,2-ETHANEDIOL, CARBON DIOXIDE, CHLORIDE ION, ...
著者Kanaujia, S.P, Chandravanshi, M, Samanta, R.
登録日2020-05-21
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers.
J.Mol.Biol., 432, 2020
5LSL
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BU of 5lsl by Molmil
Crystal structure of yeast Hsh49p in complex with Cus1p binding domain.
分子名称: Cold sensitive U2 snRNA suppressor 1, Protein HSH49
著者van Roon, A.M, Obayashi, E, Sposito, B, Oubridge, C, Nagai, K.
登録日2016-09-02
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of U2 snRNP SF3b components: Hsh49p in complex with Cus1p-binding domain.
RNA, 23, 2017
7CAN
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BU of 7can by Molmil
Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
著者Li, T, Yao, H, Cai, H, Qin, W, Li, D.
登録日2020-06-09
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
6RS4
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BU of 6rs4 by Molmil
Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus
分子名称: 1,2-ETHANEDIOL, Tabersonine synthase
著者Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
登録日2019-05-21
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
7CAY
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BU of 7cay by Molmil
Crystal Structure of Lon N-terminal domain protein from Xanthomonas campestris
分子名称: ATP-dependent protease
著者Singh, R, Sharma, B, Deshmukh, S, Kumar, A, Makde, R.D.
登録日2020-06-10
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of XCC3289 from Xanthomonas campestris: homology with the N-terminal substrate-binding domain of Lon peptidase.
Acta Crystallogr.,Sect.F, 76, 2020
6RWI
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BU of 6rwi by Molmil
Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RTM
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BU of 6rtm by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking
分子名称: 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
著者Angelucci, F, Silvestri, I, Fata, F, Williams, D.L.
登録日2019-05-24
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
6RTY
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BU of 6rty by Molmil
Crystal structure of the Patched ectodomain in complex with nanobody NB64
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Llama-derived nanobody NB64, Protein patched homolog 1
著者Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-27
公開日2019-10-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
5LU3
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BU of 5lu3 by Molmil
The Structure of Spirochaeta thermophila CBM64
分子名称: 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-oxobutanoic acid, CALCIUM ION, ...
著者Correia, M.A.S, Romao, M.J, Carvalho, A.L.
登録日2016-09-07
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Stability and Ligand Promiscuity of Type A Carbohydrate-binding Modules Are Illustrated by the Structure of Spirochaeta thermophila StCBM64C.
J. Biol. Chem., 292, 2017

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