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8T1R
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BU of 8t1r by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 2
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(3-methoxyphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
8T1Q
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BU of 8t1q by Molmil
Crystal structure of human CPSF73 catalytic segment in complex with compound 1
Descriptor: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-5-yl]-~{N}-[3-(4-ethanoylphenyl)phenyl]propanamide, CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 3, ...
Authors:Huang, J, Tong, L.
Deposit date:2023-06-02
Release date:2023-11-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3.
Cell Chem Biol, 31, 2024
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
Descriptor: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
4WG4
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BU of 4wg4 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1613
to be published
4O99
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BU of 4o99 by Molmil
Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16
Descriptor: Acetyl-CoA acetyltransferase, GLYCEROL
Authors:Kim, E.J, Kim, J, Kim, S, Kim, K.J.
Deposit date:2014-01-02
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure and biochemical characterization of PhaA from Ralstonia eutropha, a polyhydroxyalkanoate-producing bacterium.
Biochem.Biophys.Res.Commun., 452, 2014
3RUJ
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BU of 3ruj by Molmil
Crystal Structure of N-terminal region of yeast Atg7
Descriptor: Ubiquitin-like modifier-activating enzyme ATG7
Authors:Hong, S.B, Kim, B.W, Song, H.K.
Deposit date:2011-05-05
Release date:2011-11-23
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into noncanonical E1 enzyme activation from the structure of autophagic E1 Atg7 with Atg8.
Nat.Struct.Mol.Biol., 18, 2011
3RUI
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BU of 3rui by Molmil
Crystal structure of Atg7C-Atg8 complex
Descriptor: Autophagy-related protein 8, Ubiquitin-like modifier-activating enzyme ATG7, ZINC ION
Authors:Hong, S.B, Kim, B.W, Song, H.K.
Deposit date:2011-05-05
Release date:2011-11-23
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:Insights into noncanonical E1 enzyme activation from the structure of autophagic E1 Atg7 with Atg8.
Nat.Struct.Mol.Biol., 18, 2011
2MBC
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BU of 2mbc by Molmil
Solution Structure of human holo-PRL-3 in complex with vanadate
Descriptor: Protein tyrosine phosphatase type IVA 3
Authors:Jeong, K, Kang, D, Kim, J, Shin, S, Jin, B, Lee, C, Kim, E, Jeon, Y.H, Kim, Y.
Deposit date:2013-07-29
Release date:2013-10-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and backbone dynamics of vanadate-bound PRL-3: comparison of 15N nuclear magnetic resonance relaxation profiles of free and vanadate-bound PRL-3.
Biochemistry, 53, 2014
7LHZ
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BU of 7lhz by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25)
Descriptor: (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2021-01-26
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
7X6I
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BU of 7x6i by Molmil
Cryo-EM structure of the human TRPC5 ion channel in complex with G alpha i3 subunits, class1
Descriptor: (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Won, J, Jeong, H, Lee, H.H.
Deposit date:2022-03-07
Release date:2023-04-26
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:Molecular architecture of the G alpha i -bound TRPC5 ion channel.
Nat Commun, 14, 2023
7X6C
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BU of 7x6c by Molmil
Cryo-EM structure of the human TRPC5 ion channel in lipid nanodiscs, class1
Descriptor: (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, ...
Authors:Won, J, Jeong, H, Lee, H.H.
Deposit date:2022-03-07
Release date:2023-05-24
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Molecular architecture of the G alpha i -bound TRPC5 ion channel.
Nat Commun, 14, 2023
7E69
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BU of 7e69 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-3
Descriptor: N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E65
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BU of 7e65 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3
Descriptor: (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E60
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BU of 7e60 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 1
Descriptor: (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid, Peptidase M23, ZINC ION
Authors:Min, K, Yoon, H.J, Choi, Y, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E64
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BU of 7e64 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-2
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E67
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BU of 7e67 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2
Descriptor: N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E61
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BU of 7e61 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Min, K.J, Yoon, H.J, Choi, Y, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E63
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BU of 7e63 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-1
Descriptor: 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
7E66
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BU of 7e66 by Molmil
The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-1
Descriptor: N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide, Peptidase M23, ZINC ION
Authors:Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H.
Deposit date:2021-02-21
Release date:2022-02-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
4QF1
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BU of 4qf1 by Molmil
Crystal structure of unliganded CH59UA, the inferred unmutated ancestor of the RV144 anti-HIV antibody lineage producing CH59
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CH59UA Fab fragment of heavy chain, CHLORIDE ION, ...
Authors:Wiehe, K, Easterhoff, D, Luo, K, Nicely, N.I, Bradley, T, Jaeger, F.H, Dennison, S.M, Zhang, R, Lloyd, K.E, Stolarchuk, C, Parks, R, Sutherland, L.L, Scearce, R.M, Morris, L, Kaewkungwal, J, Nitayaphan, S, Pitisuttithum, P, Rerks-Ngarm, S, Michael, N, Kim, J, Kelsoe, G, Montefiori, D.C, Tomaras, G, Bonsignori, M, Santra, S, Kepler, T.B, Alam, S.M, Moody, M.A, Liao, H.-X, Haynes, B.F.
Deposit date:2014-05-19
Release date:2015-02-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibody Light-Chain-Restricted Recognition of the Site of Immune Pressure in the RV144 HIV-1 Vaccine Trial Is Phylogenetically Conserved.
Immunity, 41, 2014
5F8E
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BU of 5f8e by Molmil
Rv2258c-SAH
Descriptor: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
5F8F
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BU of 5f8f by Molmil
Rv2258c-SFG
Descriptor: GLYCEROL, Methyltransferase, SINEFUNGIN
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016
7XL9
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BU of 7xl9 by Molmil
The structure of HucR with urate
Descriptor: CHLORIDE ION, Transcriptional regulator, MarR family, ...
Authors:Park, S.Y.
Deposit date:2022-04-21
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:The structure of Deinococcus radiodurans transcriptional regulator HucR retold with the urate bound.
Biochem.Biophys.Res.Commun., 615, 2022
5F8C
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BU of 5f8c by Molmil
Rv2258c-unbound
Descriptor: GLYCEROL, Methyltransferase
Authors:Im, H.N, Suh, S.W.
Deposit date:2015-12-09
Release date:2016-06-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of Rv2258c from Mycobacterium tuberculosis H37Rv, an S-adenosyl-l-methionine-dependent methyltransferase
J.Struct.Biol., 193, 2016

224004

數據於2024-08-21公開中

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