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7CI2
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BU of 7ci2 by Molmil
Crystal structure of AcrVA2 in complex with partial MbCpf1
Descriptor: AcrVA2, MbCpf1
Authors:Chen, P, Cheng, Z, Wang, Y.
Deposit date:2020-07-07
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Study on Anti-CRISPR Protein AcrVA2
Prog.Biochem.Biophys., 2021
8YE4
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BU of 8ye4 by Molmil
The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF
Descriptor: Beta-2-microglobulin, MHC class I antigen precusor, Spike protein S1, ...
Authors:Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H.
Deposit date:2024-02-21
Release date:2024-08-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants.
J.Biol.Chem., 300, 2024
6RQP
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BU of 6rqp by Molmil
Steady-state-SMX dark state structure of bacteriorhodopsin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
Authors:Weinert, T, Skopintsev, P, James, D, Kekilli, D, Furrer, A, Bruenle, S, Mous, S, Nogly, P, Standfuss, J.
Deposit date:2019-05-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Proton uptake mechanism in bacteriorhodopsin captured by serial synchrotron crystallography.
Science, 365, 2019
4IEH
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BU of 4ieh by Molmil
Crystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3 domain interactions
Descriptor: Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide
Authors:Xie, X, Kulathila, R.
Deposit date:2012-12-13
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions.
ACS Med Chem Lett, 4, 2013
3BU7
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BU of 3bu7 by Molmil
Crystal Structure and Biochemical Characterization of GDOsp, a Gentisate 1,2-Dioxygenase from Silicibacter Pomeroyi
Descriptor: FE (II) ION, Gentisate 1,2-dioxygenase
Authors:Chen, J, Wang, M.Z, Zhu, G.Y, Zhang, X.C, Rao, Z.H.
Deposit date:2008-01-02
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure and mutagenic analysis of GDOsp, a gentisate 1,2-dioxygenase from Silicibacter pomeroyi.
Protein Sci., 17, 2008
6M9B
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BU of 6m9b by Molmil
Wild-type streptavidin in complex with biotin solved by native SAD with data collected at 6 keV
Descriptor: BIOTIN, Streptavidin
Authors:Finke, A.D.
Deposit date:2018-08-23
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.548 Å)
Cite:Making routine native SAD a reality: lessons from beamline X06DA at the Swiss Light Source.
Acta Crystallogr D Struct Biol, 75, 2019
6IZO
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BU of 6izo by Molmil
Crystal structure of DNA polymerase sliding clamp from Caulobacter crescentus
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp, DI(HYDROXYETHYL)ETHER
Authors:Jiang, X, Zhang, L, Teng, M, Li, X.
Deposit date:2018-12-20
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Caulobacter crescentus beta sliding clamp employs a noncanonical regulatory model of DNA replication.
Febs J., 287, 2020
8J17
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BU of 8j17 by Molmil
Crystal structure of IsPETase variant
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Yin, Q.D, Wang, Y.X.
Deposit date:2023-04-12
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Efficient polyethylene terephthalate biodegradation by an engineered Ideonella sakaiensis PETase with a fixed substrate-binding W156 residue
Green Chem, 2013
7PO7
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BU of 7po7 by Molmil
Phosphoglycolate phosphatase from Mus musculus
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Schloetzer, J, Schindelin, H, Fratz, S.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
7POE
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BU of 7poe by Molmil
Phosphoglycolate Phosphatase with Inhibitor CP1
Descriptor: 2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid, GLYCEROL, Glycerol-3-phosphate phosphatase, ...
Authors:Schloetzer, J, Fratz, S, Schindelin, H.
Deposit date:2021-09-08
Release date:2022-12-21
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Glycolytic flux control by drugging phosphoglycolate phosphatase.
Nat Commun, 13, 2022
5VI7
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BU of 5vi7 by Molmil
Crystal structure of the Zika virus NS3 helicase
Descriptor: SULFATE ION, helicase
Authors:Bukrejewska, M, Derewenda, U, Derewenda, Z.S.
Deposit date:2017-04-14
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Crystal structures of the methyltransferase and helicase from the ZIKA 1947 MR766 Uganda strain.
Acta Crystallogr D Struct Biol, 73, 2017
6JIR
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BU of 6jir by Molmil
Crystal structure of C. crescentus beta sliding clamp with PEG bound to putative beta-motif tethering region
Descriptor: 1,2-ETHANEDIOL, Beta sliding clamp, DI(HYDROXYETHYL)ETHER, ...
Authors:Jiang, X, Teng, M, Li, X.
Deposit date:2019-02-23
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Caulobacter crescentus beta sliding clamp employs a noncanonical regulatory model of DNA replication.
Febs J., 287, 2020
8DNN
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BU of 8dnn by Molmil
Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 80 FAB HEAVY CHAIN, 80 FAB LIGHT CHAIN, ...
Authors:Muthuraman, K, Kucharska, I, Ivanochko, D, Julien, J.P.
Deposit date:2022-07-11
Release date:2023-05-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A multi-specific, multi-affinity antibody platform neutralizes sarbecoviruses and confers protection against SARS-CoV-2 in vivo.
Sci Transl Med, 15, 2023
4ZZH
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BU of 4zzh by Molmil
SIRT1/Activator Complex
Descriptor: (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1001 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
8THU
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BU of 8thu by Molmil
Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1
Descriptor: DNA (145-MER), DNA (146-MER), Histone H2A.Z, ...
Authors:Abini-Agbomson, S, Armache, K.-J.
Deposit date:2023-07-18
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1.
Mol.Cell, 83, 2023
8T9F
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BU of 8t9f by Molmil
Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1
Descriptor: DNA (122-MER), Histone H2A.Z, Histone H2B 1.1, ...
Authors:Abini-Agbomson, S, Armache, K.-J.
Deposit date:2023-06-23
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Catalytic and non-catalytic mechanisms of histone H4 lysine 20 methyltransferase SUV420H1.
Mol.Cell, 83, 2023
5VIM
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BU of 5vim by Molmil
Crystal structure of the Zika virus NS5 methyltransferase.
Descriptor: Methyltransferase, S-ADENOSYLMETHIONINE, SULFATE ION
Authors:Bukrejewska, M, Derewenda, Z.S, Derewenda, U.
Deposit date:2017-04-17
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the methyltransferase and helicase from the ZIKA 1947 MR766 Uganda strain.
Acta Crystallogr D Struct Biol, 73, 2017
5YWX
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BU of 5ywx by Molmil
Crystal structure of hematopoietic prostaglandin D synthase in complex with F092
Descriptor: GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ...
Authors:Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A.
Deposit date:2017-11-30
Release date:2018-09-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.
Bioorg. Med. Chem., 26, 2018
7ZKS
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BU of 7zks by Molmil
SRPK1 IN COMPLEX WITH INHIBITOR
Descriptor: CHLORIDE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, SRSF protein kinase 1
Authors:Graedler, U.
Deposit date:2022-04-13
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023
7ZKX
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BU of 7zkx by Molmil
SRPK2 IN COMPLEX WITH INHIBITOR
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, N-[3-[[[2-(6-chloranyl-5-fluoranyl-1H-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide, ...
Authors:Graedler, U.
Deposit date:2022-04-13
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:MSC-1186, a Highly Selective Pan-SRPK Inhibitor Based on an Exceptionally Decorated Benzimidazole-Pyrimidine Core.
J.Med.Chem., 66, 2023
7CE1
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BU of 7ce1 by Molmil
Complex STRUCTURE OF TRANSCRIPTION FACTOR SghR with its COGNATE DNA
Descriptor: LacI-type transcription factor, promoter DNA
Authors:Ye, F.Z, Wang, C, Yan, X.F, Zhang, L.H, Gao, Y.G.
Deposit date:2020-06-21
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of a novel repressor, SghR, controllingAgrobacteriuminfection by cross-talking to plants.
J.Biol.Chem., 295, 2020
7CDV
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BU of 7cdv by Molmil
STRUCTURE OF A NOVEL VIRULENCE REGULATION FACTOR SghR
Descriptor: LacI-type transcription factor
Authors:Ye, F.Z, Wang, C, Yan, X.F, Zhang, L.H, Gao, Y.G.
Deposit date:2020-06-20
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of a novel repressor, SghR, controllingAgrobacteriuminfection by cross-talking to plants.
J.Biol.Chem., 295, 2020
2GDZ
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BU of 2gdz by Molmil
Crystal structure of 15-hydroxyprostaglandin dehydrogenase type1, complexed with NAD+
Descriptor: NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Pilka, E.S, Guo, K, Kavanagh, K, Von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-03-17
Release date:2006-04-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships.
Plos One, 5, 2010
6O96
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BU of 6o96 by Molmil
Dot1L bound to the H2BK120 Ubiquitinated nucleosome
Descriptor: DNA (146-MER), Histone H2A, Histone H2B 1.1, ...
Authors:Valencia-Sanchez, M.I, De Ioannes, P.E, Miao, W, Vasilyev, N, Chen, R, Nudler, E, Armache, J.-P, Armache, K.-J.
Deposit date:2019-03-13
Release date:2019-04-24
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural Basis of Dot1L Stimulation by Histone H2B Lysine 120 Ubiquitination.
Mol.Cell, 74, 2019
8SXF
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BU of 8sxf by Molmil
The C-terminal protease CtpA-LbcA complex of pseudomonas aeruginosa with the TPR at the high position
Descriptor: Probable carboxyl-terminal protease, TPR repeat-containing protein PA4667, polyA
Authors:Hsu, H.-C, Li, H.
Deposit date:2023-05-22
Release date:2024-03-06
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024

224201

数据于2024-08-28公开中

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