5UVX
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![BU of 5uvx by Molmil](/molmil-images/mine/5uvx) | BRD4 Bromodomain 2 with A-1359643 | Descriptor: | Bromodomain-containing protein 4, N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide | Authors: | Park, C.H. | Deposit date: | 2017-02-20 | Release date: | 2017-06-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | BRD4 Bromodomain 2 with A-1359643 To Be Published
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6ISE
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![BU of 6ise by Molmil](/molmil-images/mine/6ise) | Crystal structure of AMPPNP bound CK2 alpha from C. neoformans | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Cho, H.S. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of AMPPNP bound CK2 alpha from C. neoformans To be published
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6SYS
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![BU of 6sys by Molmil](/molmil-images/mine/6sys) | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 | Descriptor: | (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2019-10-01 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 To Be Published
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3F69
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![BU of 3f69 by Molmil](/molmil-images/mine/3f69) | Crystal structure of the Mycobacterium tuberculosis PknB mutant kinase domain in complex with KT5720 | Descriptor: | SULFATE ION, Serine/threonine-protein kinase pknB, hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c yclopenta[e]-as-indacene-6-carboxylate | Authors: | Alber, T, Mieczkowski, C.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2008-11-05 | Release date: | 2008-12-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Auto-activation mechanism of the Mycobacterium tuberculosis PknB receptor Ser/Thr kinase. Embo J., 27, 2008
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7FVS
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![BU of 7fvs by Molmil](/molmil-images/mine/7fvs) | Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one | Descriptor: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Xu, B, Benz, J, Cumming, J.G, Kreis, L, Rudolph, M.G. | Deposit date: | 2023-04-18 | Release date: | 2023-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens. Acs Med.Chem.Lett., 14, 2023
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1TKW
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![BU of 1tkw by Molmil](/molmil-images/mine/1tkw) | The transient complex of poplar plastocyanin with turnip cytochrome f determined with paramagnetic NMR | Descriptor: | COPPER (II) ION, Cytochrome f, HEME C, ... | Authors: | Lange, C, Cornvik, T, Diaz-Moreno, I, Ubbink, M. | Deposit date: | 2004-06-09 | Release date: | 2005-05-24 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | The transient complex of poplar plastocyanin with cytochrome f: effects of ionic strength and pH Biochim.Biophys.Acta, 1707, 2005
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7U1H
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7FEA
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![BU of 7fea by Molmil](/molmil-images/mine/7fea) | PY14 in complex with Col-D | Descriptor: | (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase | Authors: | Lin, C.C, Ko, T.P, Huang, K.F, Yang, Y.L. | Deposit date: | 2021-07-19 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors. Commun Biol, 5, 2022
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1TUT
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![BU of 1tut by Molmil](/molmil-images/mine/1tut) | J4/5 Loop from the Candida albicans and Candida dubliniensis Group I Introns | Descriptor: | 5'-R(*GP*AP*GP*GP*AP*AP*GP*GP*CP*GP*A)-3', 5'-R(*UP*CP*GP*UP*UP*AP*AP*UP*CP*UP*C)-3' | Authors: | Znosko, B.M, Kennedy, S.D, Wille, P.C, Krugh, T.R, Turner, D.H. | Deposit date: | 2004-06-25 | Release date: | 2004-12-28 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Features and Thermodynamics of the J4/5 Loop from the Candida albicans and Candida dubliniensis Group I Introns. Biochemistry, 43, 2004
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6J8F
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![BU of 6j8f by Molmil](/molmil-images/mine/6j8f) | Crystal structure of SVBP-VASH1 with peptide mimic the C-terminal of alpha-tubulin | Descriptor: | 8-mer peptide, Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1 | Authors: | Liao, S, Gao, J, Xu, C, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-18 | Release date: | 2019-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.283 Å) | Cite: | Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis. Cell Res., 29, 2019
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1KBM
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1KB1
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![BU of 1kb1 by Molmil](/molmil-images/mine/1kb1) | |
8X0S
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![BU of 8x0s by Molmil](/molmil-images/mine/8x0s) | Crystal structure of r(G4C2)2 | Descriptor: | POTASSIUM ION, RNA (5'-R(*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*C)-3') | Authors: | Geng, Y, Liu, C, Cai, Q, Zhu, G. | Deposit date: | 2023-11-05 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.956 Å) | Cite: | Crystal structure of a tetrameric RNA G-quadruplex formed by hexanucleotide repeat expansions of C9orf72 in ALS/FTD. Nucleic Acids Res., 2024
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7FV8
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![BU of 7fv8 by Molmil](/molmil-images/mine/7fv8) | PanDDA analysis group deposition -- PHIP in complex with Z964297186 | Descriptor: | 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7FWZ
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![BU of 7fwz by Molmil](/molmil-images/mine/7fwz) | Crystal Structure of human FABP4 in complex with 4-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-1-yl]butanoic acid | Descriptor: | 4-[3-(trifluoromethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-1(4H)-yl]butanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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7FY6
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![BU of 7fy6 by Molmil](/molmil-images/mine/7fy6) | Crystal Structure of human FABP4 in complex with 6-phenyl-11H-pyrimido[4,5-c][2]benzazepin-3-amine | Descriptor: | (10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Fryer, R, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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7G1S
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![BU of 7g1s by Molmil](/molmil-images/mine/7g1s) | Crystal Structure of human FABP4 in complex with 3-(3,4-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione | Descriptor: | (3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione, FORMIC ACID, Fatty acid-binding protein, ... | Authors: | Ehler, A, Benz, J, Obst, U, Zeller, P, Rudolph, M.G. | Deposit date: | 2023-04-27 | Release date: | 2023-06-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Crystal Structure of a human FABP4 complex To be published
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7FOO
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![BU of 7foo by Molmil](/molmil-images/mine/7foo) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P08C06 from the F2X-Universal Library | Descriptor: | 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | Deposit date: | 2022-08-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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4UZB
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![BU of 4uzb by Molmil](/molmil-images/mine/4uzb) | KSHV LANA (ORF73) C-terminal domain mutant bound to LBS1 DNA (R1039Q, R1040Q, K1055E, K1109A, D1110A, A1121E, K1138S, K1140D, K1141D) | Descriptor: | LANA BINDING SITE 1 DNA, ORF 73 | Authors: | Hellert, J, Krausze, J, Luhrs, T. | Deposit date: | 2014-09-05 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.865 Å) | Cite: | The 3D Structure of Kaposi Sarcoma Herpesvirus Lana C-Terminal Domain Bound to DNA. Proc.Natl.Acad.Sci.USA, 112, 2015
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4X8A
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![BU of 4x8a by Molmil](/molmil-images/mine/4x8a) | NavMS pore and C-terminal domain grown from protein purified in LiCl | Descriptor: | HEGA-10, Ion transport protein, NONAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
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4X89
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![BU of 4x89 by Molmil](/molmil-images/mine/4x89) | NavMs voltage-gated sodium channal pore and C-terminal domain soaked with Silver nitrate | Descriptor: | HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
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4WZ5
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![BU of 4wz5 by Molmil](/molmil-images/mine/4wz5) | Crystal structure of P. aeruginosa OXA10 | Descriptor: | Beta-lactamase OXA-10, CARBON DIOXIDE, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2016-09-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. Acs Infect Dis., 1, 2015
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4V3R
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![BU of 4v3r by Molmil](/molmil-images/mine/4v3r) | Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap. | Descriptor: | MAGNESIUM ION, YIII_M5_AII | Authors: | Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P. | Deposit date: | 2014-10-20 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects Acta Crystallogr.,Sect.D, 72, 2016
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4WF7
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![BU of 4wf7 by Molmil](/molmil-images/mine/4wf7) | Crystal structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in the intramolecular isomerization catalysis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wang, Y.L, Chow, S.Y, Lin, Y.T, Hsieh, Y.C, Lee, G.C, Liaw, S.H. | Deposit date: | 2014-09-13 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in catalysis of the intramolecular isomerization. Acta Crystallogr.,Sect.D, 70, 2014
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4WZ4
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![BU of 4wz4 by Molmil](/molmil-images/mine/4wz4) | Crystal structure of P. aeruginosa AmpC | Descriptor: | Beta-lactamase, GLYCEROL, {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | Authors: | Ferguson, A.D. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. ACS Infect Dis, 1, 2015
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