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3DD3
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BU of 3dd3 by Molmil
Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta
Descriptor: (eta6-benzene)ruthenium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, ...
Authors:Parker, L.J.
Deposit date:2008-06-05
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rational design of an organometallic glutathione transferase inhibitor
Angew.Chem.Int.Ed.Engl., 48, 2009
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
Authors:Wang, W.H, Jiang, T.
Deposit date:2008-07-07
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
5VXA
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BU of 5vxa by Molmil
Structure of the human Mesh1-NADPH complex
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Rose, J, Zhou, P.
Deposit date:2017-05-23
Release date:2018-05-23
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MESH1 is a cytosolic NADPH phosphatase that regulates ferroptosis.
Nat Metab, 2, 2020
6KRW
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BU of 6krw by Molmil
Crystal Structure of AtPTP1 at 1.4 angstrom
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, IODIDE ION, ...
Authors:Zhao, Y.Y, Luo, Z.P, Wang, J, Wu, J.W.
Deposit date:2019-08-22
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of AtPTP1 at 1.4 Angstroms
To Be Published
7CAM
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BU of 7cam by Molmil
SARS-CoV-2 main protease (Mpro) apo structure (space group P212121)
Descriptor: 3C-like proteinase
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y.
Deposit date:2020-06-09
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug.
Am J Cancer Res, 10, 2020
7CB7
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BU of 7cb7 by Molmil
1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y, Hung, M.C.
Deposit date:2020-06-10
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug.
Am J Cancer Res, 10, 2020
4WU8
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BU of 4wu8 by Molmil
Structure of trPtNAP-NCP145
Descriptor: DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Chua, E.Y.D, Davey, C.A.
Deposit date:2014-10-31
Release date:2015-09-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Stereochemical control of nucleosome targeting by platinum-intercalator antitumor agents.
Nucleic Acids Res., 43, 2015
3N9J
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BU of 3n9j by Molmil
Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J, Parker, M.W.
Deposit date:2010-05-30
Release date:2011-05-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Studies of glutathione transferase P1-1 bound to a platinum(IV)-based anticancer compound reveal the molecular basis of its activation.
To be Published
7DDC
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BU of 7ddc by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine
Descriptor: 3C-like proteinase, Tafenoquine
Authors:Chen, Y, Wang, Y.C, Yang, C.S, Hung, M.C.
Deposit date:2020-10-28
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2.
J.Biol.Chem., 298, 2022
6KRX
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BU of 6krx by Molmil
Crystal Structure of AtPTP1 at 1.7 angstrom
Descriptor: CITRATE ANION, IODIDE ION, Protein-tyrosine-phosphatase PTP1
Authors:Zhao, Y.Y, Luo, Z.P, Wang, J, Wu, J.W.
Deposit date:2019-08-22
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:AtPTP1 positively mediates brassinosteroid signaling from receptor kinases to GSK3-like kinase BIN2
To Be Published
4KGC
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BU of 4kgc by Molmil
Nucleosome Core Particle Containing (ETA6-P-CYMENE)-(1, 2-ETHYLENEDIAMINE)-RUTHENIUM
Descriptor: (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium, DNA (145-mer), Histone H2A, ...
Authors:Adhireksan, Z, Davey, C.A.
Deposit date:2013-04-29
Release date:2014-03-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity
Nat Commun, 5, 2014
8RIV
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BU of 8riv by Molmil
T2R-TTL-1-K08 complex
Descriptor: (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P.
Deposit date:2023-12-19
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8RIW
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BU of 8riw by Molmil
T2R-TTL-1-L01 complex
Descriptor: (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E.
Deposit date:2023-12-19
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8HQN
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BU of 8hqn by Molmil
Activation mechanism of GPR132 by 9(S)-HODE
Descriptor: (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQE
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BU of 8hqe by Molmil
Cryo-EM structure of the apo-GPR132-Gi
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HQM
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BU of 8hqm by Molmil
Activation mechanism of GPR132 by NPGLY
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-13
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8HVI
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BU of 8hvi by Molmil
Activation mechanism of GPR132 by compound NOX-6-7
Descriptor: 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, J.L, Ding, J.H, Sun, J.P, Yu, X.
Deposit date:2022-12-26
Release date:2023-10-11
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Functional screening and rational design of compounds targeting GPR132 to treat diabetes.
Nat Metab, 5, 2023
8JO2
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BU of 8jo2 by Molmil
Structural basis of transcriptional activation by the OmpR/PhoB-family response regulator PmrA
Descriptor: DNA (65-MER), DNA-binding transcriptional regulator BasR, DNA-directed RNA polymerase subunit alpha, ...
Authors:Lou, Y.-C, Huang, H.-Y, Chen, C, Wu, K.-P.
Deposit date:2023-06-06
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:Structural basis of transcriptional activation by the OmpR/PhoB-family response regulator PmrA.
Nucleic Acids Res., 51, 2023
8IDE
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BU of 8ide by Molmil
Structure of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme (TsaN)
Descriptor: MANGANESE (II) ION, N(6)-L-threonylcarbamoyladenine synthase
Authors:Zhang, Z.L, Jin, M.Q, Yu, Z.J, Chen, W, Wang, X.L, Lei, D.S, Zhang, W.H.
Deposit date:2023-02-13
Release date:2023-07-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structure-function analysis of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme reveals a prototype of tRNA t6A and ct6A synthetases.
Nucleic Acids Res., 51, 2023
7W85
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BU of 7w85 by Molmil
Structural of the filamentous Escherichia coli glutamine synthetase
Descriptor: Glutamine synthetase, NICKEL (II) ION
Authors:Huang, P.-C, Chen, S.-K, Wu, K.-P.
Deposit date:2021-12-07
Release date:2022-04-06
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for the helical filament formation of Escherichia coli glutamine synthetase.
Protein Sci., 31, 2022
6NJ7
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BU of 6nj7 by Molmil
11-BETA DEHYDROGENASE ISOZYME 1 IN COMPLEX WITH COLLETOIC ACID
Descriptor: (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Miller, D.J, Rivas, F.
Deposit date:2019-01-02
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanistic Insight on the Mode of Action of Colletoic Acid.
J.Med.Chem., 62, 2019
1F03
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BU of 1f03 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
Descriptor: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
Deposit date:2000-05-14
Release date:2000-06-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
1F04
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BU of 1f04 by Molmil
SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH CYTOCHROME C
Descriptor: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wu, Y.B, Lu, J, Qian, C.M, Tang, W.X, Li, E.C, Wang, J.F, Wang, Y.H, Wang, W.H, Lu, J.X, Xie, Y, Huang, Z.X.
Deposit date:2000-05-14
Release date:2000-06-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of cytochrome b(5) mutant (E44/48/56A/D60A) and its interaction with cytochrome c.
Eur.J.Biochem., 268, 2001
7W1R
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BU of 7w1r by Molmil
Crystal structure of human Suv3 monomer
Descriptor: ATP-dependent RNA helicase SUPV3L1, mitochondrial
Authors:Jain, M, Yuan, H.S.
Deposit date:2021-11-20
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dimeric assembly of human Suv3 helicase promotes its RNA unwinding function in mitochondrial RNA degradosome for RNA decay.
Protein Sci., 31, 2022
5H07
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BU of 5h07 by Molmil
TNIP2-Ub complex, C2 form
Descriptor: Polyubiquitin-C, TNFAIP3-interacting protein 2
Authors:Lo, Y.C, Lin, S.C.
Deposit date:2016-10-04
Release date:2017-03-08
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Structural Insights into Linear Tri-ubiquitin Recognition by A20-Binding Inhibitor of NF-kappa B, ABIN-2
Structure, 25, 2017

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