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8GZ2
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BU of 8gz2 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin
Descriptor: (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ...
Authors:Li, Y, Jiang, D.
Deposit date:2022-09-24
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
4UX5
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BU of 4ux5 by Molmil
Structure of DNA complex of PCG2
Descriptor: 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3', 5'-D(*CP*TP*TP*AP*CP*GP*CP*GP*TP*CP*AP*TP*TP*GP)-3', TRANSCRIPTION FACTOR MBP1
Authors:Liu, J, Huang, J, Zhao, Y, Liu, H, Wang, D, Yang, J, Zhao, W, Taylor, I.A, Peng, Y.
Deposit date:2014-08-19
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of DNA Recognition by Pcg2 Reveals a Novel DNA Binding Mode for Winged Helix-Turn-Helix Domains.
Nucleic Acids Res., 43, 2015
2RMX
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BU of 2rmx by Molmil
Solution structure of the SHP-1 C-terminal SH2 domain complexed with a tyrosine-phosphorylated peptide from NKG2A
Descriptor: NKG2-A/NKG2-B type II integral membrane protein, Tyrosine-protein phosphatase non-receptor type 6
Authors:Kasai, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-11-30
Release date:2008-12-02
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structural basis for the recognition of the two NKG2A immunoreceptor tyrosine-based inhibitory motifs (ITIMs) by the C-terminal SH2 domain of protein tyrosine phosphatase SHP-1
To be Published
5SPK
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BU of 5spk by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003296134 - (R) isomer
Descriptor: 3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HS3
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BU of 8hs3 by Molmil
Gi bound orphan GPR20 in ligand-free state
Descriptor: Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-16
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
4V6X
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BU of 4v6x by Molmil
Structure of the human 80S ribosome
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Anger, A.M, Armache, J.-P, Berninghausen, O, Habeck, M, Subklewe, M, Wilson, D.N, Beckmann, R.
Deposit date:2013-02-27
Release date:2014-07-09
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structures of the human and Drosophila 80S ribosome.
Nature, 497, 2013
4USS
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BU of 4uss by Molmil
Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione
Descriptor: GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION
Authors:Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A.
Deposit date:2014-07-13
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones.
FEBS Lett., 589, 2015
5SPL
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BU of 5spl by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000611664196 - (S,S) isomer
Descriptor: Non-structural protein 3, [(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl](7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
2RNO
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BU of 2rno by Molmil
Solution Structure of the N-terminal SAP Domain of SUMO E3 Ligases from Oryza sativa
Descriptor: Putative DNA-binding protein
Authors:Suzuki, R, Shindo, H, Tase, A, Yamazaki, T.
Deposit date:2008-01-30
Release date:2008-12-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structures and DNA binding properties of the N-terminal SAP domains of SUMO E3 ligases from Saccharomyces cerevisiae and Oryza sativa.
Proteins, 75, 2009
8HFB
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BU of 8hfb by Molmil
Evolved variant of quercetin 2,4-dioxygenase from Bacillus subtilis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, NICKEL (II) ION, ...
Authors:Eom, H, Song, W.J.
Deposit date:2022-11-10
Release date:2023-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Underlying Role of Hydrophobic Environments in Tuning Metal Elements for Efficient Enzyme Catalysis.
J.Am.Chem.Soc., 145, 2023
5SPJ
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BU of 5spj by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000893101964
Descriptor: 5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4UT4
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BU of 4ut4 by Molmil
Burkholderia pseudomallei heptokinase WcbL, D-mannose complex.
Descriptor: CHLORIDE ION, PUTATIVE SUGAR KINASE, alpha-D-mannopyranose
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-18
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
2RHX
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BU of 2rhx by Molmil
Crystal structure of the 3-MBT repeats from human L3MBTL1 bound to dimethyl-lysine
Descriptor: Lethal(3)malignant brain tumor-like protein, N-DIMETHYL-LYSINE, SULFATE ION, ...
Authors:Li, H, Patel, D.J.
Deposit date:2007-10-09
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Lower Lysine Methylation State-Specific Readout by MBT Repeats of L3MBTL1 and an Engineered PHD Finger.
Mol.Cell, 28, 2007
5SPN
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BU of 5spn by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00010608284
Descriptor: 1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HBA
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BU of 8hba by Molmil
Crystal structure of NAD-II riboswitch (single strand) with NAD
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, RNA (55-MER)
Authors:Peng, X, Lilley, D.M.J, Huang, L.
Deposit date:2022-10-27
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structures of the NAD+-II riboswitch reveal two distinct ligand-binding pockets.
Nucleic Acids Res., 51, 2023
2TPT
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BU of 2tpt by Molmil
STRUCTURAL AND THEORETICAL STUDIES SUGGEST DOMAIN MOVEMENT PRODUCES AN ACTIVE CONFORMATION OF THYMIDINE PHOSPHORYLASE
Descriptor: SULFATE ION, THYMIDINE PHOSPHORYLASE
Authors:Pugmire, M.J, Cook, W.J, Jasanoff, A, Walter, M.R, Ealick, S.E.
Deposit date:1997-11-24
Release date:1999-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and theoretical studies suggest domain movement produces an active conformation of thymidine phosphorylase.
J.Mol.Biol., 281, 1998
4UV2
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BU of 4uv2 by Molmil
Structure of the curli transport lipoprotein CsgG in a non-lipidated, pre-pore conformation
Descriptor: CURLI PRODUCTION TRANSPORT COMPONENT CSGG
Authors:Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H.
Deposit date:2014-08-04
Release date:2014-09-24
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg.
Nature, 516, 2014
2RIG
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BU of 2rig by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT RABBIT INTERFERON-GAMMA AT 2.7-ANGSTROMS RESOLUTION
Descriptor: INTERFERON-GAMMA
Authors:Samudzi, C.T, Burton, L.E, Rubin, J.R.
Deposit date:1993-01-11
Release date:1993-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of recombinant rabbit interferon-gamma at 2.7-A resolution.
J.Biol.Chem., 266, 1991
4UXO
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BU of 4uxo by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ...
Authors:Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
Deposit date:2014-08-27
Release date:2014-09-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
8HIL
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BU of 8hil by Molmil
A cryo-EM structure of B. oleracea RNA polymerase V at 3.57 Angstrom
Descriptor: DNA-dependent RNA polymerase IV and V subunit 2, DNA-directed RNA polymerase V largest subunit, DNA-directed RNA polymerase subunit, ...
Authors:Du, X, Xie, G, Hu, H, Du, J.
Deposit date:2022-11-20
Release date:2023-03-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structure and mechanism of the plant RNA polymerase V.
Science, 379, 2023
5SPB
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BU of 5spb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894404 - (R,R) and (S,S) isomers
Descriptor: (1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SOL
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BU of 5sol by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000910475722 - (S,R) isomer
Descriptor: (8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HBS
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BU of 8hbs by Molmil
Crystal of rAlfNmt
Descriptor: Glycylpeptide N-tetradecanoyltransferase
Authors:Wang, Y, Wang, S.
Deposit date:2022-10-30
Release date:2023-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:N -Myristoyltransferase, a Potential Antifungal Candidate Drug-Target for Aspergillus flavus.
Microbiol Spectr, 11, 2023
4UZ5
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BU of 4uz5 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM IV - 2.1A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, NOTUM
Authors:Zebisch, M, Jones, E.Y.
Deposit date:2014-09-04
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
2ROB
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BU of 2rob by Molmil
Solution structure of calcium bound soybean calmodulin isoform 4 C-terminal domain
Descriptor: CALCIUM ION, Calmodulin
Authors:Ishida, H, Huang, H, Yamniuk, A.P, Takaya, Y, Vogel, H.J.
Deposit date:2008-03-14
Release date:2008-04-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structures of two soybean calmodulin isoforms provide a structural basis for their selective target activation properties
J.Biol.Chem., 283, 2008

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數據於2024-10-16公開中

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