6T6D
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![BU of 6t6d by Molmil](/molmil-images/mine/6t6d) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149 | Descriptor: | 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-18 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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6BZ8
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![BU of 6bz8 by Molmil](/molmil-images/mine/6bz8) | Thermus thermophilus 70S containing 16S G347U point mutation and near-cognate ASL Leucine in A site | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Hoffer, E.D, Maehigashi, T, Fagan, C.E, Dunham, C.M. | Deposit date: | 2017-12-22 | Release date: | 2018-11-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | Ribosomal ambiguity (ram) mutations promote the open (off) to closed (on) transition and thereby increase miscoding. Nucleic Acids Res., 47, 2019
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5NRG
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![BU of 5nrg by Molmil](/molmil-images/mine/5nrg) | The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with RB02 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M. | Deposit date: | 2017-04-23 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.442 Å) | Cite: | Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus. Nucleic Acids Res., 45, 2017
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5DEP
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![BU of 5dep by Molmil](/molmil-images/mine/5dep) | Structure of Pseudomonas aeruginosa LpxA in complex with UDP-GlcNAc | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, PHOSPHATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Smith, E.W, Chen, Y. | Deposit date: | 2015-08-25 | Release date: | 2015-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structures of Pseudomonas aeruginosa LpxA Reveal the Basis for Its Substrate Selectivity. Biochemistry, 54, 2015
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8RLN
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![BU of 8rln by Molmil](/molmil-images/mine/8rln) | Crystal structure of human adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with the partial antagonist LUF5834 at the orthosteric pocket | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile, ... | Authors: | Strater, N, Claff, T, Weisse, R.H, Muller, C.E. | Deposit date: | 2024-01-03 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural Insights into Partial Activation of the Prototypic G Protein-Coupled Adenosine A 2A Receptor. Acs Pharmacol Transl Sci, 7, 2024
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6G4A
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![BU of 6g4a by Molmil](/molmil-images/mine/6g4a) | FLN5 (full length) | Descriptor: | Gelation factor | Authors: | Waudby, C.A, Wlodarski, T, Karyadi, M.-E, Cassaignau, A.M.E, Chan, S.H.S, Wentink, A.S, Schmidt-Engler, J.M, Camilloni, C, Vendruscolo, M, Cabrita, L.D, Christodoulou, J. | Deposit date: | 2018-03-27 | Release date: | 2019-04-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mapping energy landscapes of a growing filamin domain reveals an intermediate associated with proline isomerization during biosynthesis To Be Published
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1S85
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![BU of 1s85 by Molmil](/molmil-images/mine/1s85) | PORCINE TRYPSIN COMPLEXED WITH P-HYDROXYMETHYL BENZAMIDINE AND BORATE | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E. | Deposit date: | 2004-01-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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6FVY
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![BU of 6fvy by Molmil](/molmil-images/mine/6fvy) | 26S proteasome, s6 state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E. | Deposit date: | 2018-03-05 | Release date: | 2018-08-22 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating. Cell Rep, 24, 2018
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8QWT
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![BU of 8qwt by Molmil](/molmil-images/mine/8qwt) | |
2G43
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![BU of 2g43 by Molmil](/molmil-images/mine/2g43) | Structure of the ZNF UBP domain from deubiquitinating enzyme isopeptidase T (IsoT) | Descriptor: | UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ZINC ION | Authors: | Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D. | Deposit date: | 2006-02-21 | Release date: | 2006-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin. Cell(Cambridge,Mass.), 124, 2006
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2OTJ
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![BU of 2otj by Molmil](/molmil-images/mine/2otj) | 13-deoxytedanolide bound to the large subunit of Haloarcula marismortui | Descriptor: | 13-DEOXYTEDANOLIDE, 23S ribosomal RNA, 50S ribosomal protein L10E, ... | Authors: | Blaha, G, Schroeder, S.J, Tirado-Rives, J. | Deposit date: | 2007-02-08 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Structures of Antibiotics Bound to the E Site Region of the 50 S Ribosomal Subunit of Haloarcula marismortui: 13-Deoxytedanolide and Girodazole. J.Mol.Biol., 367, 2007
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6RAV
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![BU of 6rav by Molmil](/molmil-images/mine/6rav) | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | Descriptor: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | Authors: | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | Deposit date: | 2019-04-08 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases. Proc.Natl.Acad.Sci.USA, 116, 2019
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1GMN
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![BU of 1gmn by Molmil](/molmil-images/mine/1gmn) | CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR | Descriptor: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-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-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEPATOCYTE GROWTH FACTOR | Authors: | Lietha, D, Chirgadze, D.Y, Mulloy, B, Blundell, T.L, Gherardi, E. | Deposit date: | 2001-09-19 | Release date: | 2001-10-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor Embo J., 20, 2001
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5NRU
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![BU of 5nru by Molmil](/molmil-images/mine/5nru) | Cys-Gly dipeptidase GliJ in complex with Zn2+ | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, ZINC ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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5N01
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![BU of 5n01 by Molmil](/molmil-images/mine/5n01) | Crystal structure of the decarboxylase AibA/AibB C56N variant | Descriptor: | ACETATE ION, GLYCEROL, Glutaconate CoA-transferase family, ... | Authors: | Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W. | Deposit date: | 2017-02-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. Angew. Chem. Int. Ed. Engl., 56, 2017
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6BW5
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![BU of 6bw5 by Molmil](/molmil-images/mine/6bw5) | Human GPT (DPAGT1) in complex with tunicamycin | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Tunicamycin, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase | Authors: | Yoo, J, Kuk, A.C.Y, Mashalidis, E.H, Lee, S.-Y. | Deposit date: | 2017-12-14 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | GlcNAc-1-P-transferase-tunicamycin complex structure reveals basis for inhibition of N-glycosylation. Nat. Struct. Mol. Biol., 25, 2018
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6C23
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![BU of 6c23 by Molmil](/molmil-images/mine/6c23) | Cryo-EM structure of PRC2 bound to cofactors AEBP2 and JARID2 in the Compact Active State | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ... | Authors: | Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E. | Deposit date: | 2018-01-05 | Release date: | 2018-01-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structures of human PRC2 with its cofactors AEBP2 and JARID2. Science, 359, 2018
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1GLF
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![BU of 1glf by Molmil](/molmil-images/mine/1glf) | CRYSTAL STRUCTURES OF ESCHERICHIA COLI GLYCEROL KINASE AND THE MUTANT A65T IN AN INACTIVE TETRAMER: CONFORMATIONAL CHANGES AND IMPLICATIONS FOR ALLOSTERIC REGULATION | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Feese, M.D, Faber, H.R, Bystrom, C.E, Pettigrew, D.W, Remington, S.J. | Deposit date: | 1998-08-30 | Release date: | 1998-10-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Glycerol kinase from Escherichia coli and an Ala65-->Thr mutant: the crystal structures reveal conformational changes with implications for allosteric regulation. Structure, 6, 1998
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5N2L
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![BU of 5n2l by Molmil](/molmil-images/mine/5n2l) | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ... | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-07 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue To Be Published
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5N4G
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![BU of 5n4g by Molmil](/molmil-images/mine/5n4g) | |
8ATG
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![BU of 8atg by Molmil](/molmil-images/mine/8atg) | Pentameric ligand-gated ion channel GLIC with bound lipids | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Proton-gated ion channel | Authors: | Bergh, C, Rovsnik, U, Howard, R.J, Lindahl, E. | Deposit date: | 2022-08-23 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Discovery of lipid binding sites in a ligand-gated ion channel by integrating simulations and cryo-EM. Elife, 12, 2024
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8QWX
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![BU of 8qwx by Molmil](/molmil-images/mine/8qwx) | Ligninolytic manganese peroxidase Ape-MnP1 from Agaricales mushrooms | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Santillana, E, Romero, A. | Deposit date: | 2023-10-20 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-function characterization of two enzymes from novel subfamilies of manganese peroxidases secreted by the lignocellulose-degrading Agaricales fungi Agrocybe pediades and Cyathus striatus. Biotechnol Biofuels Bioprod, 17, 2024
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6R6H
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![BU of 6r6h by Molmil](/molmil-images/mine/6r6h) | Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome | Descriptor: | COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... | Authors: | Morris, E.P, Faull, S.V, Lau, A.M.C, Politis, A, Beuron, F, Cronin, N. | Deposit date: | 2019-03-27 | Release date: | 2019-08-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome. Nat Commun, 10, 2019
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6FVU
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![BU of 6fvu by Molmil](/molmil-images/mine/6fvu) | 26S proteasome, s2 state | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ... | Authors: | Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E. | Deposit date: | 2018-03-05 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating. Cell Rep, 24, 2018
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1S6H
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![BU of 1s6h by Molmil](/molmil-images/mine/1s6h) | PORCINE TRYPSIN COMPLEXED WITH GUANIDINE-3-PROPANOL INHIBITOR | Descriptor: | 4-(HYDROXYMETHYL)BENZAMIDINE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, Derose, E.F, London, R.E. | Deposit date: | 2004-01-23 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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