7MX5
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![BU of 7mx5 by Molmil](/molmil-images/mine/7mx5) | Crystal structure of TolB from Acinetobacter baumannii | Descriptor: | Tol-Pal system protein TolB | Authors: | Stogios, P.J, Evdokimova, E, Endres, M, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-18 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Crystal structure of TolB from Acinetobacter baumannii To Be Published
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3V49
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![BU of 3v49 by Molmil](/molmil-images/mine/3v49) | Structure of ar lbd with activator peptide and sarm inhibitor 1 | Descriptor: | 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ... | Authors: | Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P. | Deposit date: | 2011-12-14 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of diarylhydantoins as new selective androgen receptor modulators. J.Med.Chem., 55, 2012
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5OY6
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![BU of 5oy6 by Molmil](/molmil-images/mine/5oy6) | Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, cyclical inhibitor OD36 | Authors: | Williams, E.P, Pinkas, D.M, Krojer, T, Kupinska, K, Mahajan, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2017-09-07 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Establishment and characterization of endothelial colony forming cells as a surrogate model for Fibrodysplasia Ossificans Progressiva To Be Published
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6DU4
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![BU of 6du4 by Molmil](/molmil-images/mine/6du4) | Crystal structure of hMettl16 catalytic domain in complex with MAT2A 3'UTR hairpin 1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase, ... | Authors: | Doxtader, K, Wang, P, Nam, Y. | Deposit date: | 2018-06-19 | Release date: | 2018-09-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Regulation of METTL16, an S-Adenosylmethionine Homeostasis Factor. Mol. Cell, 71, 2018
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7MTT
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![BU of 7mtt by Molmil](/molmil-images/mine/7mtt) | |
6HP1
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![BU of 6hp1 by Molmil](/molmil-images/mine/6hp1) | Crystal Structure of the O-Methyltransferase from the trans-AT PKS multienzyme C0ZGQ3 of Brevibacillus brevis | Descriptor: | ETHYL MERCURY ION, Putative polyketide synthase | Authors: | Jakob, R.P, Felber, P, Demyanenko, Y, Delbart, F, Maier, T. | Deposit date: | 2018-09-19 | Release date: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Analysis of an O-Methyltransferase from the trans-AT PKS biosynthesis pathway To Be Published
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6DFC
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![BU of 6dfc by Molmil](/molmil-images/mine/6dfc) | Kaiso (ZBTB33) zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS) with a T-to-U substitution | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*AP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*UP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ... | Authors: | Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E. | Deposit date: | 2018-05-14 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences. Biochemistry, 2020
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1SRG
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![BU of 1srg by Molmil](/molmil-images/mine/1srg) | |
5DKD
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![BU of 5dkd by Molmil](/molmil-images/mine/5dkd) | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, 1,2-ETHANEDIOL, Transcription activator BRG1, ... | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Newman, J.A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | Deposit date: | 2015-09-03 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe To Be Published
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4OD1
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![BU of 4od1 by Molmil](/molmil-images/mine/4od1) | Crystal structure of human Fab CAP256-VRC26.03, a potent V1V2-directed HIV-1 neutralizing antibody | Descriptor: | CAP256-VRC26.03 heavy chain, CAP256-VRC26.03 light chain | Authors: | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | Deposit date: | 2014-01-09 | Release date: | 2014-02-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies. Nature, 509, 2014
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1SRI
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6QQL
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![BU of 6qql by Molmil](/molmil-images/mine/6qql) | Crystal structure of Porphyromonas gingivalis glutaminyl cyclase | Descriptor: | Glutamine cyclotransferase, ZINC ION | Authors: | Linnert, M, Piechotta, A, Parthier, C, Taudte, N, Kolenko, P, Rahfeld, J, Potempa, J, Stubbs, M.T. | Deposit date: | 2019-02-18 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.814 Å) | Cite: | Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis. J.Biol.Chem., 296, 2021
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1SRE
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![BU of 1sre by Molmil](/molmil-images/mine/1sre) | |
6WJB
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![BU of 6wjb by Molmil](/molmil-images/mine/6wjb) | UDP-GlcNAc C4-epimerase from Pseudomonas protegens in complex with NAD and UDP-GlcNAc | Descriptor: | NAD-dependent epimerase/dehydratase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Marmont, L.S, Pfoh, R, Robinson, H, Howell, P.L. | Deposit date: | 2020-04-13 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | PelX is a UDP-N-acetylglucosamine C4-epimerase involved in Pel polysaccharide-dependent biofilm formation. J.Biol.Chem., 295, 2020
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1SRF
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1SUB
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![BU of 1sub by Molmil](/molmil-images/mine/1sub) | CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN | Descriptor: | ACETONE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Gallagher, T, Bryan, P, Gilliland, G.L. | Deposit date: | 1992-06-10 | Release date: | 1994-01-31 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Calcium-independent subtilisin by design. Proteins, 16, 1993
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8OFV
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![BU of 8ofv by Molmil](/molmil-images/mine/8ofv) | Human adenovirus type 53 fiber-knob protein complexed with sialic acid | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizkallah, P.J, Parker, A.L, Mundy, R.M, Baker, A.T. | Deposit date: | 2023-03-16 | Release date: | 2023-09-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Broad sialic acid usage amongst species D human adenovirus. Npj Viruses, 1, 2023
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6QPJ
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![BU of 6qpj by Molmil](/molmil-images/mine/6qpj) | Human CLOCK PAS-A domain | Descriptor: | Circadian locomoter output cycles protein kaput | Authors: | Kwon, H, Freeman, S.L, Moody, P.C.E, Raven, E.L, Basran, J. | Deposit date: | 2019-02-14 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.315 Å) | Cite: | Heme binding to human CLOCK affects interactions with the E-box. Proc.Natl.Acad.Sci.USA, 116, 2019
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2J50
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![BU of 2j50 by Molmil](/molmil-images/mine/2j50) | Structure of Aurora-2 in complex with PHA-739358 | Descriptor: | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE 6, SULFATE ION | Authors: | Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P. | Deposit date: | 2006-09-08 | Release date: | 2006-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: Identification of a Potent Aurora Kinase Inhibitor with a Favorable Antitumor Kinase Inhibition Profile. J.Med.Chem., 49, 2006
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7RTE
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![BU of 7rte by Molmil](/molmil-images/mine/7rte) | X-ray structure of wild type RBPJ-L3MBTL3-DNA complex | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ... | Authors: | Hall, D.P, Kovall, R.A, Yuan, Z. | Deposit date: | 2021-08-13 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The structure, binding and function of a Notch transcription complex involving RBPJ and the epigenetic reader protein L3MBTL3. Nucleic Acids Res., 50, 2022
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4Z6H
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![BU of 4z6h by Molmil](/molmil-images/mine/4z6h) | Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand | Descriptor: | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9 | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-04-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew.Chem.Int.Ed.Engl., 54, 2015
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6H9A
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![BU of 6h9a by Molmil](/molmil-images/mine/6h9a) | Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in complex with natural substrate trimethyl histidine. | Descriptor: | CHLORIDE ION, N,N,N-trimethyl-histidine, SODIUM ION, ... | Authors: | Leisinger, F, Burn, R, Meury, M, Lukat, P, Seebeck, F.P. | Deposit date: | 2018-08-03 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.831 Å) | Cite: | Structural and Mechanistic Basis for Anaerobic Ergothioneine Biosynthesis. J.Am.Chem.Soc., 141, 2019
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1SXC
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![BU of 1sxc by Molmil](/molmil-images/mine/1sxc) | CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | Deposit date: | 1995-03-17 | Release date: | 1995-06-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution. J.Mol.Biol., 251, 1995
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6WPG
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![BU of 6wpg by Molmil](/molmil-images/mine/6wpg) | Structural Basis of Salicylic Acid Perception by Arabidopsis NPR Proteins | Descriptor: | 2-HYDROXYBENZOIC ACID, Regulatory protein NPR4 | Authors: | Wang, W, Withers, J, Li, H, Zwack, P.J, Rusnac, D.V, Shi, H, Liu, L, Yan, S, Hinds, T.R, Guttman, M, Dong, X, Zheng, N. | Deposit date: | 2020-04-27 | Release date: | 2020-08-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.283 Å) | Cite: | Structural basis of salicylic acid perception by Arabidopsis NPR proteins. Nature, 586, 2020
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7CFW
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![BU of 7cfw by Molmil](/molmil-images/mine/7cfw) | Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft | Descriptor: | CALCIUM ION, Histidine kinase | Authors: | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | Deposit date: | 2020-06-29 | Release date: | 2020-11-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa Iucrj, 7, 2020
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