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3HMM
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BU of 3hmm by Molmil
Structure of Alk5 + GW855857
Descriptor: 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine, TGF-beta receptor type-1
Authors:Smith, W, Janson, C.
Deposit date:2009-05-29
Release date:2009-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of novel quinazoline derivatives and related analogues as potent and selective ALK5 inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2G46
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BU of 2g46 by Molmil
structure of vSET in complex with meK27 H3 Pept. and cofactor product SAH
Descriptor: PBCV-1 histone H3-Lys 27 methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, meK27 H3 Peptide
Authors:Qian, C.M, Zheng, L, Zhou, M.M.
Deposit date:2006-02-21
Release date:2006-12-05
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Structural insights of the specificity and catalysis of a viral histone H3 lysine 27 methyltransferase.
J.Mol.Biol., 359, 2006
7WAA
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BU of 7waa by Molmil
Crystal structure of MCR-1-S treated by AgNO3
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, SILVER ION
Authors:Zhang, Q, Wang, M, Sun, H.
Deposit date:2021-12-13
Release date:2022-03-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Re-sensitization of mcr carrying multidrug resistant bacteria to colistin by silver.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
Descriptor: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
Descriptor: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
Descriptor: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
5GO9
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BU of 5go9 by Molmil
Cryo-EM structure of RyR2 in closed state
Descriptor: RyR2, ZINC ION
Authors:Peng, W, Wu, J.P, Yan, N.
Deposit date:2016-07-26
Release date:2016-10-05
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis for the gating mechanism of the type 2 ryanodine receptor RyR2
Science, 354, 2016
5GS9
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BU of 5gs9 by Molmil
Crystal structure of CASTOR1-arginine
Descriptor: ARGININE, GATS-like protein 3
Authors:Zhang, T, Ding, J.
Deposit date:2016-08-15
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into the arginine-binding specificity of CASTOR1 in amino acid-dependent mTORC1 signaling.
Cell Discov, 2, 2016
5GOA
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BU of 5goa by Molmil
Cryo-EM structure of RyR2 in open state
Descriptor: RyR2, ZINC ION
Authors:Peng, W, Wu, J.P, Yan, N.
Deposit date:2016-07-26
Release date:2016-10-05
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis for the gating mechanism of the type 2 ryanodine receptor RyR2
Science, 354, 2016
5IAW
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BU of 5iaw by Molmil
Novel natural FXR modulator with a unique binding mode
Descriptor: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-22
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
5ICK
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BU of 5ick by Molmil
A unique binding model of FXR LBD with feroline
Descriptor: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-23
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
5GL6
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BU of 5gl6 by Molmil
Msmeg rimP
Descriptor: Ribosome maturation factor RimP
Authors:Chu, T, Lau, T.C.K.
Deposit date:2016-07-08
Release date:2017-07-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The ribosomal maturation factor P fromMycobacterium smegmatisfacilitates the ribosomal biogenesis by binding to the small ribosomal protein S12.
J. Biol. Chem., 294, 2019
5IVX
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BU of 5ivx by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Natarajan, K, Jiang, J, Margulies, D.
Deposit date:2016-03-21
Release date:2017-03-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
5IW1
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BU of 5iw1 by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor
Descriptor: T-CELL RECEPTOR ALPHA CHAIN, T-CELL RECEPTOR BETA CHAIN
Authors:Natarajan, K, Jiang, J, Margulies, D.
Deposit date:2016-03-21
Release date:2017-03-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
5XMA
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BU of 5xma by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme at P43212 space group
Descriptor: DNA (36-MER), DNA/RNA (5'-D(*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*T)-R(P*G)-D(P*GP*GP*TP*GP*CP*GP*TP*TP*AP*CP*A)-3'), Repair DNA polymerase X
Authors:Liu, H.H, Gan, J.H.
Deposit date:2017-05-13
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5XM9
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BU of 5xm9 by Molmil
Crystal structure of AsfvPolX in complex with DNA enzyme.
Descriptor: DNA (23-mer), DNA (36-MER), Repair DNA polymerase X
Authors:Liu, H.H, Gan, J.H.
Deposit date:2017-05-13
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.053 Å)
Cite:Crystal structure of an RNA-cleaving DNAzyme.
Nat Commun, 8, 2017
5YR0
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BU of 5yr0 by Molmil
Structure of Beclin1-UVRAG coiled coil domain complex
Descriptor: Beclin-1, UV radiation resistance associated protein
Authors:Pan, X, Zhao, Y, He, Y.
Deposit date:2017-11-08
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6A85
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BU of 6a85 by Molmil
Crystal structure of a novel DNA quadruplex
Descriptor: AMMONIUM ION, DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*GP*GP*GP*TP*GP*CP*GP*TP*T)-3'), LEAD (II) ION, ...
Authors:Liu, H.H, Gan, J.H.
Deposit date:2018-07-06
Release date:2019-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-resolution DNA quadruplex structure containing all the A-, G-, C-, T-tetrads.
Nucleic Acids Res., 46, 2018
5THO
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BU of 5tho by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205
Descriptor: N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.C, Li, H.
Deposit date:2016-09-30
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
5TKO
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BU of 5tko by Molmil
RNA heptamer duplex with one 2'-5'-linkage
Descriptor: COBALT (II) ION, RNA (5'-R(*GP*GP*AP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3')
Authors:Luo, Z, Sheng, J.
Deposit date:2016-10-07
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:RNA heptamer duplex with one 2'-5'-linkage
To Be Published
5U0Q
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BU of 5u0q by Molmil
RNA-DNA heptamer duplex with one 2'-5'-linkage
Descriptor: COBALT (II) ION, DNA/RNA (5'-R(*GP*GP*AP*GP*C)-D(P*T)-R(P*A)-3'), MAGNESIUM ION, ...
Authors:Luo, Z, Sheng, J.
Deposit date:2016-11-26
Release date:2017-11-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:RNA-DNA heptamer duplex with one 2'-5'-linkage
To Be Published
5TDJ
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BU of 5tdj by Molmil
RNA decamer duplex with four 2'-5'-linkages
Descriptor: RNA (5'-R(*CP*CP*GP*GP*CP*GP*CP*CP*GP*G)-3'), STRONTIUM ION
Authors:Luo, Z, Sheng, J.
Deposit date:2016-09-19
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into RNA duplexes with multiple 2 -5 -linkages.
Nucleic Acids Res., 45, 2017
7X78
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BU of 7x78 by Molmil
L-fuculose 1-phosphate aldolase
Descriptor: L-fuculose phosphate aldolase, MAGNESIUM ION, SULFATE ION
Authors:Lou, X, Zhang, Q, Bartlam, M.
Deposit date:2022-03-09
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural characterization of an L-fuculose-1-phosphate aldolase from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 607, 2022
7FAX
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BU of 7fax by Molmil
Complex structure of TbLeo1 and LW domain from Trypanosoma brucei
Descriptor: TbLW, TbLeo1 peptide
Authors:Liao, S, Gao, J, Tu, X.
Deposit date:2021-07-07
Release date:2022-07-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023

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数据于2024-06-12公开中

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