7ZO8
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![BU of 7zo8 by Molmil](/molmil-images/mine/7zo8) | cryo-EM structure of CGT ABC transporter in nanodisc apo state | Descriptor: | Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, DIUNDECYL PHOSPHATIDYL CHOLINE | Authors: | Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D. | Deposit date: | 2022-04-24 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella. Nat.Struct.Mol.Biol., 29, 2022
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7ZO9
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![BU of 7zo9 by Molmil](/molmil-images/mine/7zo9) | cryo-EM structure of CGT ABC transporter in vanadate trapped state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, VANADATE ION | Authors: | Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D. | Deposit date: | 2022-04-24 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella. Nat.Struct.Mol.Biol., 29, 2022
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7ZNU
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![BU of 7znu by Molmil](/molmil-images/mine/7znu) | cryo-EM structure of CGT ABC transporter in detergent micelle | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Beta-(1-->2)glucan export ATP-binding/permease protein NdvA, VANADATE ION | Authors: | Jaroslaw, S, Dong, C.N, Frank, L, Na, W, Renato, Z, Seunho, J, Henning, S, Christoph, D. | Deposit date: | 2022-04-22 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Mechanism of cyclic beta-glucan export by ABC transporter Cgt of Brucella. Nat.Struct.Mol.Biol., 29, 2022
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8CBL
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![BU of 8cbl by Molmil](/molmil-images/mine/8cbl) | Structure of human mitochondrial RNase Z in complex with mitochondrial pre-tRNA-His(0,Ser) | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-His(0,Ser), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, YU, W, LUISI, B, TISNE, C. | Deposit date: | 2023-01-25 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structural basis for human mitochondrial tRNA maturation. Nat Commun, 15, 2024
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5COY
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![BU of 5coy by Molmil](/molmil-images/mine/5coy) | Crystal structure of CC chemokine 5 (CCL5) | Descriptor: | C-C motif chemokine 5, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Liang, W.G, Tang, W. | Deposit date: | 2015-07-20 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.443 Å) | Cite: | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3. Proc.Natl.Acad.Sci.USA, 113, 2016
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8A1R
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![BU of 8a1r by Molmil](/molmil-images/mine/8a1r) | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14, 2023
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6Q3X
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![BU of 6q3x by Molmil](/molmil-images/mine/6q3x) | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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5COX
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![BU of 5cox by Molmil](/molmil-images/mine/5cox) | |
2C4U
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![BU of 2c4u by Molmil](/molmil-images/mine/2c4u) | Crystal structure of the apo form of the 5'-Fluoro-5'-deoxyadenosine synthase enzyme from Streptomyces cattleya | Descriptor: | 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, GLYCEROL | Authors: | McEwan, A.R, Deng, H, Robinson, D.A, DeLaurentis, W, McGlinchey, R.P, O'Hagan, D, Naismith, J.H. | Deposit date: | 2005-10-22 | Release date: | 2006-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates. Org. Biomol. Chem., 4, 2006
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8CZZ
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![BU of 8czz by Molmil](/molmil-images/mine/8czz) | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074 | Descriptor: | 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M. | Deposit date: | 2022-05-25 | Release date: | 2023-05-31 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir. Nat Commun, 14, 2023
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5DEW
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![BU of 5dew by Molmil](/molmil-images/mine/5dew) | Crystal structure of PAK1 in complex with an inhibitor compound 5 | Descriptor: | 8-[(trans-4-aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Oh, A, Tam, C, Wang, W. | Deposit date: | 2015-08-26 | Release date: | 2016-09-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of Selective PAK1 Inhibitor G-5555: Improving Proper-ties by Employing an Unorthodox Low-pKa Polar Moiety To Be Published
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8AQF
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![BU of 8aqf by Molmil](/molmil-images/mine/8aqf) | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | Descriptor: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | Authors: | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | Deposit date: | 2022-08-12 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy To Be Published
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8AYT
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![BU of 8ayt by Molmil](/molmil-images/mine/8ayt) | Crystal structure of SUDV VP40 W95A mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Steinchen, W, Werel, L, Kowalski, K, Essen, L.-O, Becker, S. | Deposit date: | 2022-09-03 | Release date: | 2023-09-13 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of SUDV VP40 W95A mutant To Be Published
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8AYU
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![BU of 8ayu by Molmil](/molmil-images/mine/8ayu) | Crystal structure of SUDV VP40 L117A mutant | Descriptor: | Matrix protein VP40 | Authors: | Werner, A.-D, Steinchen, W, Werel, L, Kowalski, K, Essen, L.-O, Becker, S. | Deposit date: | 2022-09-03 | Release date: | 2023-09-13 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of SUDV VP40 L117A mutant To Be Published
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5DK3
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![BU of 5dk3 by Molmil](/molmil-images/mine/5dk3) | Crystal Structure of Pembrolizumab, a full length IgG4 antibody | 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)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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, Heavy Chain, ... | Authors: | Scapin, G, Prosise, W, Reichert, P. | Deposit date: | 2015-09-02 | Release date: | 2015-11-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure of full-length human anti-PD1 therapeutic IgG4 antibody pembrolizumab. Nat.Struct.Mol.Biol., 22, 2015
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6KZ5
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![BU of 6kz5 by Molmil](/molmil-images/mine/6kz5) | Crystal Structure Analysis of the Csn-B-bounded NUR77 Ligand binding Domain | Descriptor: | Nuclear receptor subfamily 4 group A member 1, ethyl 2-[2-octanoyl-3,5-bis(oxidanyl)phenyl]ethanoate | Authors: | Hong, W, Chen, H, Wu, Q, Lin, T. | Deposit date: | 2019-09-23 | Release date: | 2020-10-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (4.45 Å) | Cite: | Blocking PPAR gamma interaction facilitates Nur77 interdiction of fatty acid uptake and suppresses breast cancer progression. Proc.Natl.Acad.Sci.USA, 117, 2020
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5DNF
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![BU of 5dnf by Molmil](/molmil-images/mine/5dnf) | Crystal structure of CC chemokine 5 (CCL5) oligomer in complex with heparin | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, C-C motif chemokine 5, ... | Authors: | Liang, W.G, Tang, W. | Deposit date: | 2015-09-10 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.549 Å) | Cite: | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3. Proc.Natl.Acad.Sci.USA, 113, 2016
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5DYL
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![BU of 5dyl by Molmil](/molmil-images/mine/5dyl) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form | Descriptor: | cGMP-dependent protein kinase, putative | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-24 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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7ZSD
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![BU of 7zsd by Molmil](/molmil-images/mine/7zsd) | cryo-EM structure of omicron spike in complex with de novo designed binder, local | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-06 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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7ZSS
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![BU of 7zss by Molmil](/molmil-images/mine/7zss) | cryo-EM structure of D614 spike in complex with de novo designed binder | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-08 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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5DYK
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![BU of 5dyk by Molmil](/molmil-images/mine/5dyk) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form | Descriptor: | 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ... | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-24 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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8DOK
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![BU of 8dok by Molmil](/molmil-images/mine/8dok) | Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | Deposit date: | 2022-07-13 | Release date: | 2023-07-19 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir. Nat Commun, 14, 2023
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2DO3
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![BU of 2do3 by Molmil](/molmil-images/mine/2do3) | Solution structure of the third KOW motif of transcription elongation factor SPT5 | Descriptor: | Transcription elongation factor SPT5 | Authors: | Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-04-27 | Release date: | 2006-10-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the third KOW motif of transcription elongation factor SPT5 To be Published
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6R38
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![BU of 6r38 by Molmil](/molmil-images/mine/6r38) | T. brucei FPPS in complex with 2-(2,5-dichlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | 2-[2,5-bis(chloranyl)-1-benzothiophen-3-yl]ethanoic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
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5E8R
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![BU of 5e8r by Molmil](/molmil-images/mine/5e8r) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | Authors: | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-14 | Release date: | 2015-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
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