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5DY9
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BU of 5dy9 by Molmil
Y68T Hfq from Methanococcus jannaschii in complex with AMP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Nikulin, A.D, Mikhailina, A.O, Lekontseva, N.V, Balobanov, V.A, Nikonova, E.Y, Tishchenko, S.V.
Deposit date:2015-09-24
Release date:2016-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii.
J. Biomol. Struct. Dyn., 35, 2017
6KP2
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BU of 6kp2 by Molmil
Quadruple mutant plasmodium falciparum dihydrofolate reductase complexed with B10042
Descriptor: 5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-14
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
7SIF
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BU of 7sif by Molmil
Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ...
Authors:Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
6X7N
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BU of 6x7n by Molmil
LnmK in complex with 2-nitronate-propionyl-amino(dethia)-CoA
Descriptor: Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium
Authors:Stunkard, L.M, Kick, B.J, Lohman, J.R.
Deposit date:2020-05-30
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
6JFX
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BU of 6jfx by Molmil
Crystal structure of Pullulanase from Paenibacillus barengoltzii complex with maltopentaose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q.
Deposit date:2019-02-12
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii.
Acta Crystallogr D Struct Biol, 76, 2020
5PZO
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BU of 5pzo by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE C316N IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-5-[3-({2-METHYL-1-OXO-1-[(1,3,4-THIADIAZOL-2-YL)AMINO]PROPAN-2-YL}CARBAMOYL)PHENYL]-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-5-[3-({2-methyl-1-oxo-1-[(1,3,4-thiadiazol-2-yl)amino]propan-2-yl}carbamoyl)phenyl]-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
6IWM
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BU of 6iwm by Molmil
Structural insight into probable lipid transfer mechanism of non-specific lipid transfer protein via intermediate structures in Solanum melongena
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Non-specific lipid-transfer protein, ...
Authors:Madni, Z.K, Salunke, D.M.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural insights into the lipid transfer mechanism of a non-specific lipid transfer protein.
Plant J., 102, 2020
6A1E
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BU of 6a1e by Molmil
Crystal structure of a synthase 1 from Santalum album in complex with ligand fps
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONATE ION, GLYCEROL, ...
Authors:Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-06-07
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
6KPR
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BU of 6kpr by Molmil
Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with B12155 inhibitor
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]butanoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Vitsupakorn, D.
Deposit date:2019-08-15
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:6-Hydrophobic aromatic substituent pyrimethamine analogues as potential antimalarials for pyrimethamine-resistant Plasmodium falciparum.
Bioorg.Med.Chem., 27, 2019
6H6I
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BU of 6h6i by Molmil
Ferric murine neuroglobin Gly-loop mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G.
Deposit date:2018-07-27
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating.
Sci Rep, 9, 2019
5PZK
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BU of 5pzk by Molmil
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-(4-FLUOROPHENYL)-N-METHYL-6-[(METHYLSULFONYL)AMINO]-5-(PROPAN-2-YLOXY)-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2017-02-27
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Hepatitis C Virus NS5B Replicase Palm Site Allosteric Inhibitor (BMS-929075) Advanced to Phase 1 Clinical Studies.
J. Med. Chem., 60, 2017
8CWJ
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BU of 8cwj by Molmil
Fab arms of antibodies 4C12-B12 and CR3022 bound to pangolin receptor binding domain (pRBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2022-05-19
Release date:2023-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.449 Å)
Cite:Neutralization of CoV-2 omicron lineages by affinity-matured class 5 antibodies
To Be Published
6IWN
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BU of 6iwn by Molmil
Structural insight into probable lipid transfer mechanism of non-specific lipid transfer protein via intermediate structures in Solanum melongena
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MYRISTIC ACID, ...
Authors:Madni, Z.K, Salunke, D.M.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.408 Å)
Cite:Structural insights into the lipid transfer mechanism of a non-specific lipid transfer protein.
Plant J., 102, 2020
6AW4
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BU of 6aw4 by Molmil
1.50A resolution structure of catechol O-methyltransferase (COMT) from Nannospalax galili
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catechol O-methyltransferase, GLYCEROL, ...
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6HOM
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BU of 6hom by Molmil
Drosophila NOT4 CBM peptide bound to human CAF40
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CCR4-NOT transcription complex subunit 4, isoform L, ...
Authors:Raisch, T, Izaurralde, E, Weichenrieder, O.
Deposit date:2018-09-17
Release date:2019-02-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A conserved CAF40-binding motif in metazoan NOT4 mediates association with the CCR4-NOT complex.
Genes Dev., 33, 2019
5YL5
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BU of 5yl5 by Molmil
Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, GLYCEROL, ...
Authors:Iqbal, N, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2017-10-17
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of dodecameric Dehydroquinate dehydratase from Acinetobacter baumannii at 1.9A resolution
To Be Published
6JI6
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BU of 6ji6 by Molmil
Crystal structure of glutathione S-transferase complexed and modified with glutathione
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLUTATHIONE, ...
Authors:Okajima, T, Arai, R.
Deposit date:2019-02-20
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of glutathione S-transferase complexed and modified with glutathione
To Be Published
5FTW
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BU of 5ftw by Molmil
Crystal structure of glutamate O-methyltransferase in complex with S- adenosyl-L-homocysteine (SAH) from Bacillus subtilis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHEMOTAXIS PROTEIN METHYLTRANSFERASE, GLYCEROL, ...
Authors:Sharma, R, Dhindwal, S, Batra, M, Aggarwal, M, Kumar, P, Tomar, S.
Deposit date:2016-01-18
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Pentapeptide-Independent Chemotaxis Receptor Methyltransferase (Cher) Reveals Idiosyncratic Structural Determinants for Receptor Recognition.
J.Struct.Biol., 196, 2016
6BSW
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BU of 6bsw by Molmil
Crystal structure of Xyloglucan Xylosyltransferase 1 ternary form
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MANGANESE (II) ION, ...
Authors:Culbertson, A.T, Ehrlich, J.J, Choe, J, Honzatko, R.B, Zabotina, O.A.
Deposit date:2017-12-04
Release date:2018-05-23
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Structure of xyloglucan xylosyltransferase 1 reveals simple steric rules that define biological patterns of xyloglucan polymers.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3P8K
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BU of 3p8k by Molmil
Crystal Structure of a putative carbon-nitrogen family hydrolase from Staphylococcus aureus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Gordon, R.D, Qiu, W, Battaile, K, Lam, K, Soloveychik, M, Benetteraj, D, Romanov, V, Pai, E.F, Chirgadze, N.Y.
Deposit date:2010-10-14
Release date:2011-10-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of carbon-nitrogen family hydrolase from Staphylococcus aureus
To be Published
6NYT
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BU of 6nyt by Molmil
Munc13-1 C2B-domain, calcium bound
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Tomchick, D.R, Rizo, J, Machius, M, Lu, J.
Deposit date:2019-02-12
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.369 Å)
Cite:Munc13 C2B domain is an activity-dependent Ca2+ regulator of synaptic exocytosis.
Nat. Struct. Mol. Biol., 17, 2010
5FL5
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BU of 5fl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
4QT9
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BU of 4qt9 by Molmil
Crystal structure of a putative glucoamylase (BACCAC_03554) from Bacteroides caccae ATCC 43185 at 2.05 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, putative glucoamylase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-07-07
Release date:2014-08-06
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a putative glucoamylase (BACCAC_03554) from Bacteroides caccae ATCC 43185 at 2.05 A resolution
To be published
6JWG
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BU of 6jwg by Molmil
Crystal structure of Formate dehydrogenase mutant C256I/E261P/S381I from Pseudomonas sp. 101
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Formate dehydrogenase, GLYCEROL
Authors:Feng, Y, Guo, X, Xue, S, Zhao, Z.
Deposit date:2019-04-20
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
6K40
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BU of 6k40 by Molmil
Crystal structure of alkyl hydroperoxide reductase from D. radiodurans R1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkyl hydroperoxide reductase AhpD, DI(HYDROXYETHYL)ETHER, ...
Authors:Kim, M.-K, Zhang, J, Zhao, L.
Deposit date:2019-05-22
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of the AhpD-like protein DR1765 from Deinococcus radiodurans R1.
Biochem.Biophys.Res.Commun., 529, 2020

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