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5Y12
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BU of 5y12 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-methoxynaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5ZNP
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BU of 5znp by Molmil
Crystal structure of PtSHL in complex with an H3K4me3 peptide
Descriptor: 15-mer peptide from Histone H3.2, SHORT LIFE family protein, ZINC ION
Authors:Lv, X, Du, J.
Deposit date:2018-04-10
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
5ZNR
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BU of 5znr by Molmil
Crystal structure of PtSHL in complex with an H3K27me3 peptide
Descriptor: 17-mer peptide from Histone H3.2, SHORT LIFE family protein, SULFATE ION, ...
Authors:Lv, X, Du, J.
Deposit date:2018-04-10
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
5ZWZ
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BU of 5zwz by Molmil
Crystal structure of Arabidopsis thaliana AGDP1 AGD34
Descriptor: Agenet domain-containing protein
Authors:Du, X, Du, J.
Deposit date:2018-05-17
Release date:2018-11-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Arabidopsis AGDP1 links H3K9me2 to DNA methylation in heterochromatin
Nat Commun, 9, 2018
5ZWX
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BU of 5zwx by Molmil
Crystal structure of Raphanus sativus AGDP1 AGD12 in complex with an H3K9me2 peptide
Descriptor: DUF724 domain-containing protein 6-like, H3(1-15)K9me2 peptide
Authors:Du, X, Du, J.
Deposit date:2018-05-17
Release date:2018-11-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Arabidopsis AGDP1 links H3K9me2 to DNA methylation in heterochromatin
Nat Commun, 9, 2018
6UK1
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BU of 6uk1 by Molmil
Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Vorobiev, S.M, Vernon, R.M, Khazanov, N, Senderowitz, H, Forman-Kay, J.D, Hunt, J.F.
Deposit date:2019-10-03
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:A thermodynamically stabilized form of the second nucleotide binding domain from human CFTR shows a catalytically inactive conformation
To Be Published
8TXE
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BU of 8txe by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 5
Descriptor: (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8TXH
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BU of 8txh by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 14
Descriptor: (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8TXG
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BU of 8txg by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 8
Descriptor: (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
7WHI
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BU of 7whi by Molmil
The state 2 complex structure of Omicron spike with Bn03 (2-up RBD, 4 nanobodies)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2021-12-30
Release date:2022-05-11
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
7WHK
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BU of 7whk by Molmil
The state 3 complex structure of Omicron spike with Bn03 (2-up RBD, 5 nanobodies)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2021-12-30
Release date:2022-05-11
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
7WHJ
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BU of 7whj by Molmil
The state 1 complex structure of Omicron spike with Bn03 (1-up RBD, 3 nanobodies)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bn03_nano1, Bn03_nano2, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2021-12-30
Release date:2022-05-11
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Broad neutralization of SARS-CoV-2 variants by an inhalable bispecific single-domain antibody.
Cell, 185, 2022
1YFJ
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BU of 1yfj by Molmil
T4Dam in Complex with AdoHcy and 15-mer Oligonucleotide Showing Semi-specific and Specific Contact
Descriptor: 5'-D(*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*G)-3', CALCIUM ION, CHLORIDE ION, ...
Authors:Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X.
Deposit date:2005-01-02
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
1YF3
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BU of 1yf3 by Molmil
T4Dam in Complex with AdoHcy and 13-mer Oligonucleotide Making Non- and Semi-specific (~1/4) Contact
Descriptor: 5'-D(*AP*CP*CP*AP*TP*GP*AP*TP*CP*TP*GP*AP*C)-3', 5'-D(*TP*GP*TP*CP*AP*GP*AP*TP*CP*AP*TP*GP*G)-3', DNA adenine methylase, ...
Authors:Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X.
Deposit date:2004-12-30
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
7X9E
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BU of 7x9e by Molmil
Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide
Descriptor: 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide
Authors:Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B.
Deposit date:2022-03-15
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2.
Nat Microbiol, 7, 2022
1YFL
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BU of 1yfl by Molmil
T4Dam in Complex with Sinefungin and 16-mer Oligonucleotide Showing Semi-specific and Specific Contact and Flipped Base
Descriptor: 5'-D(P*TP*CP*AP*CP*AP*GP*GP*AP*TP*CP*CP*TP*GP*TP*GP*A)-3', DNA adenine methylase, SINEFUNGIN
Authors:Horton, J.R, Liebert, K, Hattman, S, Jeltsch, A, Cheng, X.
Deposit date:2005-01-03
Release date:2005-05-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Transition from Nonspecific to Specific DNA Interactions along the Substrate-Recognition Pathway of Dam Methyltransferase.
Cell(Cambridge,Mass.), 121, 2005
4Z8U
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BU of 4z8u by Molmil
CRYSTAL STRUCTURE OF AvrRxo1-ORF1:-ORF2 WITH ATP
Descriptor: ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ...
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
4Z8T
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BU of 4z8t by Molmil
CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 WITH SULPHATE IONS
Descriptor: ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ...
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
4Z8V
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BU of 4z8v by Molmil
CRYSTAL STRUCTURE OF AVRRXO1-ORF1:-ORF2 COMPLEX, NATIVE.
Descriptor: AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
4Z8Q
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BU of 4z8q by Molmil
CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 COMPLEX, SELENOMETHIONINE SUBSTITUTED.
Descriptor: AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2022-03-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
6IP0
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BU of 6ip0 by Molmil
Crystal structure of Arabidopsis thaliana JMJ13 catalytic domain in complex with AKG
Descriptor: 2-OXOGLUTARIC ACID, NICKEL (II) ION, SULFATE ION, ...
Authors:Hu, H, Du, J.
Deposit date:2018-11-01
Release date:2019-04-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Arabidopsis H3K27me3 demethylase JUMONJI 13 is a temperature and photoperiod dependent flowering repressor.
Nat Commun, 10, 2019
6IP4
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BU of 6ip4 by Molmil
Crystal structure of Arabidopsis thaliana JMJ13 catalytic domain in complex with NOG and an H3K27me3 peptide
Descriptor: Arabidopsis JMJ13, Histone H3.2, N-OXALYLGLYCINE, ...
Authors:Hu, H, Du, J.
Deposit date:2018-11-02
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Arabidopsis H3K27me3 demethylase JUMONJI 13 is a temperature and photoperiod dependent flowering repressor.
Nat Commun, 10, 2019
6J6K
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BU of 6j6k by Molmil
Apo-state streptavidin
Descriptor: Streptavidin
Authors:Fan, X, Wang, J, Lei, J.L, Wang, H.W.
Deposit date:2019-01-15
Release date:2019-05-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
6J6J
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BU of 6j6j by Molmil
Biotin-bound streptavidin
Descriptor: BIOTIN, Streptavidin
Authors:Fan, X, Wang, J, Lei, J.L, Wang, H.W.
Deposit date:2019-01-15
Release date:2019-05-29
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Single particle cryo-EM reconstruction of 52 kDa streptavidin at 3.2 Angstrom resolution.
Nat Commun, 10, 2019
6LFP
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BU of 6lfp by Molmil
Cry3Aa protein for enzyme entrapment
Descriptor: Cry3Aa protein
Authors:Heater, B.S, Chan, M.K.
Deposit date:2019-12-03
Release date:2020-10-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:In Vivo Enzyme Entrapment in a Protein Crystal.
J.Am.Chem.Soc., 142, 2020

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