6MSU
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![BU of 6msu by Molmil](/molmil-images/mine/6msu) | Integrin alphaVBeta3 in complex with EETI-II 2.5F | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | van Agthoven, J.F, Arnaout, M.A. | Deposit date: | 2018-10-18 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural Basis of the Differential Binding of Engineered Knottins to Integrins alpha V beta 3 and alpha 5 beta 1. Structure, 27, 2019
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5J53
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![BU of 5j53 by Molmil](/molmil-images/mine/5j53) | The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | Descriptor: | Carotenoid oxygenase, FE (III) ION, OXYGEN MOLECULE, ... | Authors: | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2016-04-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6FID
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![BU of 6fid by Molmil](/molmil-images/mine/6fid) | Bovine trypsin solved by S-SAD on ID30B | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | McCarthy, A.A, Mueller-Dieckmann, C. | Deposit date: | 2018-01-18 | Release date: | 2018-02-07 | Last modified: | 2018-08-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF. J Synchrotron Radiat, 25, 2018
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6FKU
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![BU of 6fku by Molmil](/molmil-images/mine/6fku) | Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant protein with shortened C-terminal, in complex with NADP) | Descriptor: | Aldehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T. | Deposit date: | 2018-01-24 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension. Sci Rep, 8, 2018
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7C28
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![BU of 7c28 by Molmil](/molmil-images/mine/7c28) | Unusual quaternary structure of a homodimeric synergistic toxin from mamba snake venom | Descriptor: | SULFATE ION, Synergistic-type venom protein S2C4 | Authors: | Jobichen, C, Narumi, A, Sivaraman, J, Kini, R.M. | Deposit date: | 2020-05-07 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unusual quaternary structure of a homodimeric synergistic-type toxin from mamba snake venom defines its molecular evolution. Biochem.J., 477, 2020
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6T2F
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![BU of 6t2f by Molmil](/molmil-images/mine/6t2f) | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions | Descriptor: | 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am | Authors: | Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M. | Deposit date: | 2019-10-08 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl., 59, 2020
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7BSA
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![BU of 7bsa by Molmil](/molmil-images/mine/7bsa) | Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo) | Descriptor: | 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. | Deposit date: | 2020-03-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
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6T2P
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![BU of 6t2p by Molmil](/molmil-images/mine/6t2p) | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16 | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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5N1T
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![BU of 5n1t by Molmil](/molmil-images/mine/5n1t) | Crystal structure of complex between flavocytochrome c and copper chaperone CopC from T. paradoxus | Descriptor: | COPPER (II) ION, CopC, Cytochrome C, ... | Authors: | Osipov, E.M, Lilina, A.V, Tikhonova, T.V, Tsallagov, S.I, Popov, V.O. | Deposit date: | 2017-02-06 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the flavocytochrome c sulfide dehydrogenase associated with the copper-binding protein CopC from the haloalkaliphilic sulfur-oxidizing bacterium Thioalkalivibrio paradoxusARh 1. Acta Crystallogr D Struct Biol, 74, 2018
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6FBH
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![BU of 6fbh by Molmil](/molmil-images/mine/6fbh) | KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the sixth primer nucleotide. | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*TP*CP*CP*GP*GP*TP*GP*GP*GP*TP*C)-3'), ... | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2017-12-19 | Release date: | 2018-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5N4B
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![BU of 5n4b by Molmil](/molmil-images/mine/5n4b) | Prolyl oligopeptidase B from Galerina marginata bound to 25mer macrocyclization substrate - S577A mutant | Descriptor: | Alpha-amanitin proprotein, Prolyl oligopeptidase | Authors: | Czekster, C.M, McMahon, S.A, Ludewig, H, Naismith, J.H. | Deposit date: | 2017-02-10 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates. Nat Commun, 8, 2017
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6T3B
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![BU of 6t3b by Molmil](/molmil-images/mine/6t3b) | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | Deposit date: | 2019-10-10 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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5J7B
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![BU of 5j7b by Molmil](/molmil-images/mine/5j7b) | The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, GSK583 complex | Descriptor: | 6-(tert-butylsulfonyl)-N-(5-fluoro-2H-indazol-3-yl)quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2 | Authors: | Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S. | Deposit date: | 2016-04-06 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase. J.Med.Chem., 59, 2016
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6PO0
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![BU of 6po0 by Molmil](/molmil-images/mine/6po0) | |
6T3Z
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![BU of 6t3z by Molmil](/molmil-images/mine/6t3z) | Crystal structure of the truncated EBV BFRF1-BFLF2 nuclear egress complex | Descriptor: | MALONATE ION, Nuclear egress protein 2,Nuclear egress protein 1 | Authors: | Muller, Y.A. | Deposit date: | 2019-10-11 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55862784 Å) | Cite: | High-resolution crystal structures of two prototypical beta- and gamma-herpesviral nuclear egress complexes unravel the determinants of subfamily specificity. J.Biol.Chem., 295, 2020
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4YAM
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![BU of 4yam by Molmil](/molmil-images/mine/4yam) | Crystal structure of LigE-apo form from Sphingobium sp. strain SYK-6 | Descriptor: | Beta-etherase | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2015-12-16 | Last modified: | 2016-07-20 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Structural Basis of Stereospecificity in the Bacterial Enzymatic Cleavage of beta-Aryl Ether Bonds in Lignin. J.Biol.Chem., 291, 2016
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4YAY
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![BU of 4yay by Molmil](/molmil-images/mine/4yay) | XFEL structure of human Angiotensin Receptor | Descriptor: | 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor | Authors: | Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2015-02-18 | Release date: | 2015-04-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Angiotensin receptor revealed by serial femtosecond crystallography. Cell, 161, 2015
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8DAY
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![BU of 8day by Molmil](/molmil-images/mine/8day) | Crystal Structure of DMATS1 prenyltransferase in complex with L-Tyr and DMSPP | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, Dimethylallyltryptophan synthase 1, TYROSINE | Authors: | Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. | Deposit date: | 2022-06-14 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi . Biochemistry, 61, 2022
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8UVT
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6FDS
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![BU of 6fds by Molmil](/molmil-images/mine/6fds) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-226 | Descriptor: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione, GLYCEROL, GUANIDINE, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2017-12-26 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | TbrPDEB1 structure with inhibitor NPD-226 To be published
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7P7D
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![BU of 7p7d by Molmil](/molmil-images/mine/7p7d) | Rabbit muscle Glycogen Phosphorylase T state | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form | Authors: | Stravodimos, G.A, Leonidas, D.D. | Deposit date: | 2021-07-19 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Glycogen phosphorylase revisited: extending the resolution of the R- and T-state structures of the free enzyme and in complex with allosteric activators. Acta Crystallogr.,Sect.F, 77, 2021
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7ZMJ
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![BU of 7zmj by Molmil](/molmil-images/mine/7zmj) | SFX structure of dye-type peroxidase DtpB R243A variant in the ferric state | Descriptor: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Putative dye-decolorizing peroxidase (DyP), ... | Authors: | Lucic, M, Worrall, J.A.R, Hough, M.A, Shilova, A, Axford, D.A, Owen, R.L, Tosha, T, Sugimoto, H, Owada, S. | Deposit date: | 2022-04-19 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Serial Femtosecond Crystallography Reveals the Role of Water in the One- or Two-Electron Redox Chemistry of Compound I in the Catalytic Cycle of the B-Type Dye-Decolorizing Peroxidase DtpB. Acs Catalysis, 12, 2022
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8DAZ
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![BU of 8daz by Molmil](/molmil-images/mine/8daz) | Crystal structure of DMATS1 prenyltransferase in complex with L-Trp and GSPP | Descriptor: | Dimethylallyltryptophan synthase 1, GERANYL S-THIOLODIPHOSPHATE, TRYPTOPHAN | Authors: | Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. | Deposit date: | 2022-06-14 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi . Biochemistry, 61, 2022
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5G57
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![BU of 5g57 by Molmil](/molmil-images/mine/5g57) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-001 | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2016-05-22 | Release date: | 2017-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
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6PPA
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![BU of 6ppa by Molmil](/molmil-images/mine/6ppa) | Crystal structure of the unliganded bromodomain of human BRD7 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 7, PHOSPHATE ION | Authors: | Chan, A, Karim, M.R, Zhu, J, Schonbrunn, E. | Deposit date: | 2019-07-05 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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