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4K9J
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BU of 4k9j by Molmil
Structure of Re(CO)3(4,7-dimethyl-phen)(Thr126His)(Lys122Trp)(His83Glu)(Trp48Phe)(Tyr72Phe)(Tyr108Phe)AzCu(II), a Rhenium modified Azurin mutant
Descriptor: (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION
Authors:Takematsu, K, Williamson, H.R, Blanco-Rodriguez, A.M, Sokolova, L, Nikolovski, P, Kaiser, J.T, Towrie, M, Clark, I.P, Vlcek Jr, A, Winkler, J.R, Gray, H.B.
Deposit date:2013-04-20
Release date:2013-10-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tryptophan-accelerated electron flow across a protein-protein interface.
J.Am.Chem.Soc., 135, 2013
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-05-01
Release date:2021-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
4K9Q
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BU of 4k9q by Molmil
The Crystal Structure of Benzoylformate Decarboxylase from Polynucleobacter necessarius
Descriptor: Benzoylformate Decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Brodkin, H.R, Novak, W.R.P, McLeish, M.J.
Deposit date:2013-04-20
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:The Crystal Structure of Benzoylformate Decarboxylase from Polynucleobacter necessarius
To be Published
6DKS
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BU of 6dks by Molmil
Structure of the Rbpj-SHARP-DNA Repressor Complex
Descriptor: DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Maltose/maltodextrin-binding periplasmic protein, ...
Authors:Kovall, R.A, VanderWielen, B.D, Yuan, Z.
Deposit date:2018-05-30
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural and Functional Studies of the RBPJ-SHARP Complex Reveal a Conserved Corepressor Binding Site.
Cell Rep, 26, 2019
7C3E
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BU of 7c3e by Molmil
Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora
Descriptor: AofleA, GLYCEROL, SULFATE ION
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.183 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
4KCI
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BU of 4kci by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-(ethane-1,2-diylbis(3,1-phenylene))bis(thiophene-2-carboximidamide)
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-24
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
7C8B
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BU of 7c8b by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK
Descriptor: 3C-like proteinase, CHLORIDE ION, Z-VAD(OMe)-FMK
Authors:Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
Deposit date:2020-05-29
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the SARS-CoV-2 main protease in complex with Z-VAD(OMe)-FMK
To Be Published
4KEJ
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BU of 4kej by Molmil
Crystal structure of mouse Ryanodine Receptor 2 (1-217) disease mutant R169Q
Descriptor: Ryanodine receptor 2
Authors:Kimlicka, L, Van Petegem, F.
Deposit date:2013-04-25
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.553 Å)
Cite:Type 2 Ryanodine Receptor Domain A Contains a Unique and Dynamic alpha-Helix That Transitions to a beta-Strand in a Mutant Linked with a Heritable Cardiomyopathy.
J.Mol.Biol., 425, 2013
4KG8
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BU of 4kg8 by Molmil
Crystal structure of light mutant
Descriptor: Tumor necrosis factor ligand superfamily member 14
Authors:Liu, W, Zhan, C, Kumar, P.R, Bonanno, J.B, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-04-28
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly.
Structure, 22, 2014
7CCJ
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BU of 7ccj by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
Descriptor: DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein
Authors:Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X.
Deposit date:2020-06-17
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
7CCD
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BU of 7ccd by Molmil
Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA
Descriptor: DNA (5'-D(*CP*AP*CP*GP*TP*TP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*GP*AS*AP*CP*GP*TP*G)-3'), HNHc domain-containing protein
Authors:Yu, H, Li, J, Liu, G, Zhao, G, Wang, Y, Hu, W, Deng, Z, Gan, J, Zhao, Y, He, X.
Deposit date:2020-06-16
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses.
Nucleic Acids Res., 48, 2020
4KP4
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BU of 4kp4 by Molmil
Deciphering cis-trans directionality and visualizing autophosphorylation in histidine kinases.
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Osmolarity sensor protein EnvZ, ...
Authors:Casino, P, Miguel-Romero, L, Marina, A.
Deposit date:2013-05-13
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Visualizing autophosphorylation in histidine kinases.
Nat Commun, 5, 2014
7CHC
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BU of 7chc by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab H, BD-368-2 Fab L, BD-629 Fab H, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
6D67
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BU of 6d67 by Molmil
Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion (maltose bound form) in complex with the designed AR protein mbp3_16
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Designed AR protein mbp3_16, ...
Authors:Gumpena, R, Lountos, G.T, Waugh, D.S.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4K4C
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BU of 4k4c by Molmil
X-ray crystal structure of E. coli YbdB complexed with phenacyl-CoA
Descriptor: Proofreading thioesterase EntH, phenacyl coenzyme A
Authors:Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2013-04-12
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4KRD
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BU of 4krd by Molmil
Crystal Structure of Pho85-Pcl10 Complex
Descriptor: Cyclin-dependent protein kinase PHO85, PHO85 cyclin-10
Authors:Quiocho, F.A, Zheng, F.
Deposit date:2013-05-16
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:New Structural Insights into Phosphorylation-free Mechanism for Full Cyclin-dependent Kinase (CDK)-Cyclin Activity and Substrate Recognition.
J.Biol.Chem., 288, 2013
4KT0
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BU of 4kt0 by Molmil
Crystal structure of a virus like photosystem I from the cyanobacterium Synechocystis PCC 6803
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Mazor, Y, Nataf, D, Toporik, H, Nelson, N.
Deposit date:2013-05-19
Release date:2014-02-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of virus-like photosystem I complexes from the mesophilic cyanobacterium Synechocystis PCC 6803.
Elife, 3, 2014
4K9O
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BU of 4k9o by Molmil
Crystal Structure of the Phe397Ala mutant of Benzoylformate Decarboxylase from Pseudomonas putida
Descriptor: Benzoylformate decarboxylase, CALCIUM ION, GLYCEROL, ...
Authors:Brodkin, H.R, McLeish, M.J.
Deposit date:2013-04-20
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Crystal Structure of the Phe397Ala mutant of Benzoylformate Decarboxylase from Pseudomonas putida
To be Published
7CRZ
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BU of 7crz by Molmil
Crystal structure of human glucose transporter GLUT3 bound with C3361
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ...
Authors:Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N.
Deposit date:2020-08-14
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents.
Proc.Natl.Acad.Sci.USA, 118, 2021
7CBY
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BU of 7cby by Molmil
Structure of FOXG1 DNA binding domain bound to DBE2 DNA site
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), ...
Authors:Dai, S.Y, Li, J, Chen, Y.H.
Deposit date:2020-06-15
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.646 Å)
Cite:Structural Basis for DNA Recognition by FOXG1 and the Characterization of Disease-causing FOXG1 Mutations.
J.Mol.Biol., 432, 2020
7CH5
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BU of 7ch5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab
Descriptor: BD-629 Fab H, BD-629 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CM3
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BU of 7cm3 by Molmil
Cryo-EM structure of human NALCN in complex with FAM155A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, J, Yan, Z, Ke, M.
Deposit date:2020-07-24
Release date:2020-11-11
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the human sodium leak channel NALCN in complex with FAM155A.
Nat Commun, 11, 2020
7CNA
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BU of 7cna by Molmil
Crystal structure of Spindlin1/C11orf84 complex bound to histone H3K4me3K9me3 peptide
Descriptor: ALA-ARG-THR-M3L-GLN-THR-ALA-ARG-M3L-SER-GLY, ALA-ARG-THR-M3L-GLN-THR-ALA-ARG-M3L-SER-THR, BENZAMIDINE, ...
Authors:Qian, C.M.
Deposit date:2020-07-30
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural mechanism of bivalent histone H3K4me3K9me3 recognition by the Spindlin1/C11orf84 complex in rRNA transcription activation.
Nat Commun, 12, 2021
7CTQ
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BU of 7ctq by Molmil
Peptidyl tryptophan dihydroxylase QhpG essential for tryptophylquinone cofactor biogenesis
Descriptor: (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, HEXANE-1,6-DIOL, ...
Authors:Oozeki, T, Nakai, T, Okajima, T.
Deposit date:2020-08-20
Release date:2021-02-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Functional and structural characterization of a flavoprotein monooxygenase essential for biogenesis of tryptophylquinone cofactor.
Nat Commun, 12, 2021
6DY3
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BU of 6dy3 by Molmil
Caenorhabditis elegans N-acylethanolamine-hydrolyzing acid amidase (NAAA) ortholog
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, N-acylethanolamine-hydrolyzing acid amidase alpha-subunit, N-acylethanolamine-hydrolyzing acid amidase beta-subunit
Authors:Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
Deposit date:2018-07-01
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

223790

数据于2024-08-14公开中

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