7UWT
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![BU of 7uwt by Molmil](/molmil-images/mine/7uwt) | Structure of Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB_Vv F70A/F108Y (NTR 2.0) in complex with FMN at 1.85 Angstroms resolution | Descriptor: | ACETATE ION, Dihydropteridine reductase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Sharrock, A.V, Arcus, V, Mumm, J.S, Ackerley, D.F. | Deposit date: | 2022-05-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The Crystal Structure of Engineered Nitroreductase NTR 2.0 and Impact of F70A and F108Y Substitutions on Substrate Specificity. Int J Mol Sci, 24, 2023
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6O2V
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5MA4
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![BU of 5ma4 by Molmil](/molmil-images/mine/5ma4) | GFP-binding DARPin fusion gc_K7 | Descriptor: | Green fluorescent protein, K7 | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | Deposit date: | 2016-11-03 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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6WYW
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![BU of 6wyw by Molmil](/molmil-images/mine/6wyw) | Crystal structure of Pseudomonas 7A Glutaminase-Asparaginase in complex with L-Asp at pH 4.5 | Descriptor: | ASPARTIC ACID, Glutaminase-asparaginase | Authors: | Strzelczyk, P, Zhang, D, Wlodawer, A, Lubkowski, J. | Deposit date: | 2020-05-13 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Generalized enzymatic mechanism of catalysis by tetrameric L-asparaginases from mesophilic bacteria. Sci Rep, 10, 2020
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6FMQ
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![BU of 6fmq by Molmil](/molmil-images/mine/6fmq) | Keap1 - peptide complex | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACY-SC1-GLU-THR-GLY-GLU-LEU, ... | Authors: | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | Deposit date: | 2018-02-02 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids. Chembiochem, 19, 2018
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6WU2
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![BU of 6wu2 by Molmil](/molmil-images/mine/6wu2) | Structure of the LaINDY-malate complex | Descriptor: | DASS family sodium-coupled anion symporter, DECANE, HEXANE, ... | Authors: | Sauer, D.B, Marden, J.J, Cocco, N, Song, J.M, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS) | Deposit date: | 2020-05-04 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Structural basis for the reaction cycle of DASS dicarboxylate transporters. Elife, 9, 2020
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6NZN
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![BU of 6nzn by Molmil](/molmil-images/mine/6nzn) | Dimer-of-dimer amyloid fibril structure of glucagon | Descriptor: | Glucagon | Authors: | Gelenter, M.D, Smith, K.J, Liao, S.Y, Mandala, V.S, Dregni, A.J, Lamm, M.S, Tian, Y, Wei, X, Pochan, D.J, Tucker, T.J, Su, Y, Hong, M. | Deposit date: | 2019-02-14 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The peptide hormone glucagon forms amyloid fibrils with two coexisting beta-strand conformations. Nat.Struct.Mol.Biol., 26, 2019
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4Y2L
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![BU of 4y2l by Molmil](/molmil-images/mine/4y2l) | Structure of CFA/I pili major subunit CfaB trimer | Descriptor: | CALCIUM ION, CFA/I fimbrial subunit B, ISOPROPYL ALCOHOL | Authors: | Bao, R, Xia, D. | Deposit date: | 2015-02-10 | Release date: | 2016-08-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Off-pathway assembly of fimbria subunits is prevented by chaperone CfaA of CFA/I fimbriae from enterotoxigenic E. coli. Mol. Microbiol., 102, 2016
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8DMM
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![BU of 8dmm by Molmil](/molmil-images/mine/8dmm) | Structure of the vanadate-trapped MsbA bound to KDL | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA | Authors: | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | Deposit date: | 2022-07-08 | Release date: | 2022-12-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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1CAQ
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![BU of 1caq by Molmil](/molmil-images/mine/1caq) | X-RAY STRUCTURE OF HUMAN STROMELYSIN CATALYTIC DOMAIN COMPLEXES WITH NON-PEPTIDE INHIBITORS: IMPLICATION FOR INHIBITOR SELECTIVITY | Descriptor: | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-PROPIONIC ACID, CALCIUM ION, PROTEIN (STROMELYSIN-1), ... | Authors: | Pavlovsky, A.G, Williams, M.G, Ye, Q.-Z, Ortwine, D.F, Purchase II, C.F, White, A.D, Dhanaraj, V, Roth, B.D, Johnson, L.L, Hupe, D, Humblet, C, Blundell, T.L. | Deposit date: | 1999-02-23 | Release date: | 1999-07-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity. Protein Sci., 8, 1999
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7AZG
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![BU of 7azg by Molmil](/molmil-images/mine/7azg) | DNA polymerase sliding clamp from Escherichia coli with peptide 4 bound | Descriptor: | Beta sliding clamp, Peptide 4 | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7AZL
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![BU of 7azl by Molmil](/molmil-images/mine/7azl) | DNA polymerase sliding clamp from Escherichia coli with peptide 38 bound | Descriptor: | Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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5G3X
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![BU of 5g3x by Molmil](/molmil-images/mine/5g3x) | Structure of recombinant granulovirus polyhedrin | Descriptor: | GRANULOVIRUS POLYHEDRIN | Authors: | Bunker, R.D, Chiu, E, Metcalf, P. | Deposit date: | 2016-05-02 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Atomic structure of granulin determined from native nanocrystalline granulovirus using an X-ray free-electron laser. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5GEP
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![BU of 5gep by Molmil](/molmil-images/mine/5gep) | SULFITE REDUCTASE HEMOPROTEIN CARBON MONOXIDE COMPLEX REDUCED WITH CRII EDTA | Descriptor: | CARBON MONOXIDE, IRON/SULFUR CLUSTER, POTASSIUM ION, ... | Authors: | Crane, B.R, Getzoff, E.D. | Deposit date: | 1997-07-10 | Release date: | 1998-01-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Probing the catalytic mechanism of sulfite reductase by X-ray crystallography: structures of the Escherichia coli hemoprotein in complex with substrates, inhibitors, intermediates, and products. Biochemistry, 36, 1997
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5MA3
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![BU of 5ma3 by Molmil](/molmil-images/mine/5ma3) | GFP-binding DARPin fusion gc_R11 | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, R11 | Authors: | Hansen, S, Stueber, J, Ernst, P, Bojar, D, Batyuk, A, Plueckthun, A. | Deposit date: | 2016-11-03 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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6WCJ
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![BU of 6wcj by Molmil](/molmil-images/mine/6wcj) | Asymmetric vertex of the clathrin minicoat cage | Descriptor: | Clathrin heavy chain 1, Clathrin light chain B | Authors: | Paraan, M, Mendez, J, Sharum, S, Kurtin, D, He, H, Stagg, S. | Deposit date: | 2020-03-30 | Release date: | 2020-08-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | The structures of natively assembled clathrin-coated vesicles. Sci Adv, 6, 2020
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5K7T
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![BU of 5k7t by Molmil](/molmil-images/mine/5k7t) | MicroED structure of thermolysin at 2.5 A resolution | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | Deposit date: | 2016-05-26 | Release date: | 2017-04-05 | Last modified: | 2024-02-28 | Method: | ELECTRON CRYSTALLOGRAPHY (2.5 Å) | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017
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7AZC
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![BU of 7azc by Molmil](/molmil-images/mine/7azc) | DNA polymerase sliding clamp from Escherichia coli with peptide 22 bound | Descriptor: | Beta sliding clamp, GLYCEROL, Peptide 22 | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7AZF
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![BU of 7azf by Molmil](/molmil-images/mine/7azf) | DNA polymerase sliding clamp from Escherichia coli with peptide 8 bound | Descriptor: | Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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6QLM
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![BU of 6qlm by Molmil](/molmil-images/mine/6qlm) | Cathepsin-K in complex with MIV-701 | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, GLYCEROL, ... | Authors: | Derbyshire, D.J. | Deposit date: | 2019-02-01 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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5K9N
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![BU of 5k9n by Molmil](/molmil-images/mine/5k9n) | Structural and Mechanistic Analysis of Drosophila melanogaster Polyamine N acetyltransferase, an enzyme that Catalyzes the Formation of N acetylagmatine | Descriptor: | Polyamine N acetyltransferase | Authors: | Dempsey, D.R, Nichols, D.A, Battistini, M.R, Pemberton, O, Ospina, S.R, Zhang, X, Carpenter, A.-M, Chen, Y, Merkler, D.J. | Deposit date: | 2016-06-01 | Release date: | 2017-06-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Mechanistic Analysis of Drosophila melanogaster Agmatine N-Acetyltransferase, an Enzyme that Catalyzes the Formation of N-Acetylagmatine. Sci Rep, 7, 2017
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6QM0
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![BU of 6qm0 by Molmil](/molmil-images/mine/6qm0) | Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Authors: | Derbyshire, D.J. | Deposit date: | 2019-02-01 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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5KAQ
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![BU of 5kaq by Molmil](/molmil-images/mine/5kaq) | Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ... | Authors: | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | Deposit date: | 2016-06-01 | Release date: | 2017-02-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.514 Å) | Cite: | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell, 166, 2016
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7UOG
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![BU of 7uog by Molmil](/molmil-images/mine/7uog) | Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and asymmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence. | Descriptor: | DNA (5'-D(AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*CP*CP*GP*CP*CP*TP*T)-3', DNA (5'-D(GP*TP*AP*AP*GP*GP*CP*GP*GP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*G)-3', MAGNESIUM ION, ... | Authors: | Ward, A.R, Snow, C.D. | Deposit date: | 2022-04-12 | Release date: | 2023-04-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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5KC0
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![BU of 5kc0 by Molmil](/molmil-images/mine/5kc0) | Crystal structure of TmRibU, hexagonal crystal form | Descriptor: | RIBOFLAVIN, Riboflavin transporter RibU, nonyl beta-D-glucopyranoside | Authors: | Karpowich, N.K, Wang, D.N, Song, J.M. | Deposit date: | 2016-06-03 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2001 Å) | Cite: | An Aromatic Cap Seals the Substrate Binding Site in an ECF-Type S Subunit for Riboflavin. J.Mol.Biol., 428, 2016
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