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7NRA
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BU of 7nra by Molmil
The structure of the SBP TarP_Sse in complex with cinnamate
Descriptor: HYDROCINNAMIC ACID, TRAP dicarboxylate transporter, DctP subunit
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-03
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NRR
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BU of 7nrr by Molmil
The structure of the SBP TarP_Csal in complex with caffeate
Descriptor: CAFFEIC ACID, MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-04
Release date:2021-10-06
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NSW
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BU of 7nsw by Molmil
The structure of the SBP TarP_Csal in complex with coumarate
Descriptor: 1,2-ETHANEDIOL, 4'-HYDROXYCINNAMIC ACID, MAGNESIUM ION, ...
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-08
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
Descriptor: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-12-27
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
7NYC
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BU of 7nyc by Molmil
cryoEM structure of 3C9-sMAC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Menny, A, Couves, E.C, Bubeck, D.
Deposit date:2021-03-22
Release date:2021-10-06
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of soluble membrane attack complex packaging for clearance.
Nat Commun, 12, 2021
5J9O
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BU of 5j9o by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 1-(2-(methylamino)-1H-benzo[d]imidazol-6-yl)guanidine
Descriptor: CHLORIDE ION, GLYCEROL, N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine, ...
Authors:Ehrmann, F.R, Heine, A, Klebe, G.
Deposit date:2016-04-10
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published
7NTD
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BU of 7ntd by Molmil
The structure of the SBP TarP_Csal in complex with ferulate
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-09
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NTE
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BU of 7nte by Molmil
The structure of an open conformation of the SBP TarP_Csal
Descriptor: MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-09
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
5JAM
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BU of 5jam by Molmil
Yersinia pestis FabV variant T276V
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C.
Deposit date:2016-04-12
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
3QU0
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BU of 3qu0 by Molmil
CDK2 in complex with inhibitor RC-2-38
Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-02-23
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
2JLX
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BU of 2jlx by Molmil
Dengue virus 4 NS3 helicase in complex with ssRNA and ADP-Vanadate
Descriptor: 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J.
Deposit date:2008-09-15
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein.
Embo J., 27, 2008
4Q31
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BU of 4q31 by Molmil
The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FORMIC ACID, ...
Authors:Tan, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2014-04-10
Release date:2014-05-07
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural dynamics of a methionine gamma-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate.
Struct Dyn, 3, 2016
4Q4M
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BU of 4q4m by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-4-phenyl-1,2-dihydro-1,3,5-triazin-2-one
Descriptor: 6-amino-4-phenyl-1,3,5-triazin-2(1H)-one, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-04-15
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:5-Azacytosines as a Novel Scaffold to Inhibit Z. mobilis TGT with Expected Improved Bioavailability and Synthetic Accessibility
To be Published
4Q7D
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BU of 4q7d by Molmil
Wild type Fc (wtFc)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]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, Ig gamma-1 chain C region
Authors:Ahmed, A.A, Giddens, J, Pincetic, A, Lomino, J.V, Ravetch, J.V, Wang, L.X, Bjorkman, P.J.
Deposit date:2014-04-24
Release date:2014-07-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural characterization of anti-inflammatory immunoglobulin g fc proteins.
J.Mol.Biol., 426, 2014
5JH8
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BU of 5jh8 by Molmil
Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472
Descriptor: (2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Chang, C, Michalska, K, Tesar, C, Clancy, S, Joachimiak, A.
Deposit date:2016-04-20
Release date:2016-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.018 Å)
Cite:Crystal structure of chitinase from Chromobacterium violaceum ATCC 12472
To Be Published
8B1N
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BU of 8b1n by Molmil
Crystal structure of TrmD-Tm1570 from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Kluza, A, Lewandowska, I, Augustyniak, R, Sulkowska, J.
Deposit date:2022-09-10
Release date:2022-09-28
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens.
Front Mol Biosci, 10, 2023
7OEK
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BU of 7oek by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ091
Descriptor: 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-05-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
5JJQ
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BU of 5jjq by Molmil
Crystal structure of IdnL1
Descriptor: 5'-O-[(R)-{[(3S)-3-aminobutanoyl]oxy}(hydroxy)phosphoryl]adenosine, AMP-dependent synthetase and ligase, CHLORIDE ION
Authors:Cieslak, J, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2016-04-25
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biochemical characterization and structural insight into aliphatic beta-amino acid adenylation enzymes IdnL1 and CmiS6
Proteins, 85, 2017
7OEL
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BU of 7oel by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ097
Descriptor: ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-05-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEF
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BU of 7oef by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ038
Descriptor: 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-05-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
7OEE
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BU of 7oee by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ019b
Descriptor: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-05-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
4Q8S
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BU of 4q8s by Molmil
Crystal structure of mammalian Peptidoglycan recognition protein PGRP-S with paranitrophenyl palmitate and N-acetyl glucosamine at 2.09 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrophenyl hexadecanoate, GLYCEROL, ...
Authors:Yamini, S, Sharma, P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2014-04-28
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of mammalian Peptidoglycan recognition protein PGRP-S with paranitrophenyl palmitate and N-acetyl glucosamine at 2.09 A resolution
To be Published
5JMB
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BU of 5jmb by Molmil
The Crystal structure of the N-terminal domain of a novel cellulases from Bacteroides coprocola
Descriptor: Uncharacterized protein
Authors:Tan, K, Gu, M, Jedrzejczak, R, Joachimiak, A.
Deposit date:2016-04-28
Release date:2016-06-29
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Crystal structure of the N-terminal domain of a novel cellulases from Bacteroides coprocola (CASP target)
To Be Published
7OEI
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BU of 7oei by Molmil
Crystal structure of the human METTL3-METTL14 complex with compound UOZ083
Descriptor: (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Huang, D, Caflisch, A.
Deposit date:2021-05-03
Release date:2021-10-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
2JLW
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BU of 2jlw by Molmil
Dengue virus 4 NS3 helicase in complex with ssRNA2
Descriptor: 5'-R(*UP*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', GLYCEROL, PHOSPHATE ION, ...
Authors:Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J.
Deposit date:2008-09-15
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein
Embo J., 27, 2008

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