7QU9
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![BU of 7qu9 by Molmil](/molmil-images/mine/7qu9) | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. | Descriptor: | Anthranilate synthase component I family protein, GLYCEROL, TRYPTOPHAN | Authors: | Rooms, L.D, Race, P.R, Back, C.B, Burton, N.B, Willis, C.L, Stach, J.E.M, Duke, P.W, Hawkins, C. | Deposit date: | 2022-01-17 | Release date: | 2023-01-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. To Be Published
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8AD3
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![BU of 8ad3 by Molmil](/molmil-images/mine/8ad3) | X-ray structure of NqrF(129-408)of Vibrio cholerae variant F406A | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Na(+)-translocating NADH-quinone reductase subunit F | Authors: | Fritz, G. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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5M45
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![BU of 5m45 by Molmil](/molmil-images/mine/5m45) | Structure of Acetone Carboxylase purified from Xanthobacter autotrophicus | Descriptor: | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | Authors: | Kabasakal, B.V, Wells, J.N, Nwaobi, B.C, Eilers, B.J, Peters, J.W, Murray, J.W. | Deposit date: | 2016-10-18 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Basis for the Mechanism of ATP-Dependent Acetone Carboxylation. Sci Rep, 7, 2017
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6TCO
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![BU of 6tco by Molmil](/molmil-images/mine/6tco) | Crystal structure of the omalizumab Fab Leu158Pro light chain mutant - crystal form I | Descriptor: | 1,2-ETHANEDIOL, Omalizumab Fab Leu158Pro light chain mutant, SULFATE ION | Authors: | Mitropoulou, A.N, Ceska, T, Beavil, A.J, Henry, A.J, McDonnell, J.M, Sutton, B.J, Davies, A.M. | Deposit date: | 2019-11-06 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering the Fab fragment of the anti-IgE omalizumab to prevent Fab crystallization and permit IgE-Fc complex crystallization. Acta Crystallogr.,Sect.F, 76, 2020
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175D
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![BU of 175d by Molmil](/molmil-images/mine/175d) | |
8AD4
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![BU of 8ad4 by Molmil](/molmil-images/mine/8ad4) | X-ray structure of NqrF(129-408)of Vibrio cholerae in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... | Authors: | Fritz, G. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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7PAW
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![BU of 7paw by Molmil](/molmil-images/mine/7paw) | MALT1 in complex with compound 1 | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1, ~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine | Authors: | Kack, H, Oster, L. | Deposit date: | 2021-07-30 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors. Eur.J.Med.Chem., 227, 2021
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1ADE
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![BU of 1ade by Molmil](/molmil-images/mine/1ade) | STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE PH 7 AT 25 DEGREES CELSIUS | Descriptor: | ADENYLOSUCCINATE SYNTHETASE | Authors: | Silva, M.M, Poland, B.W, Hoffman, C.M, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1995-09-14 | Release date: | 1996-01-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Refined crystal structures of unligated adenylosuccinate synthetase from Escherichia coli. J.Mol.Biol., 254, 1995
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5LM6
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![BU of 5lm6 by Molmil](/molmil-images/mine/5lm6) | VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35) | Descriptor: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, Metallo-beta-lactamase VIM-2, ... | Authors: | Li, G.-B, Brem, J, Someya, H, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-07-29 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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6PHX
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![BU of 6phx by Molmil](/molmil-images/mine/6phx) | SpAga D472N structure in complex with raffinose | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Alpha-galactosidase, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2019-06-25 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
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7OYV
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![BU of 7oyv by Molmil](/molmil-images/mine/7oyv) | E.coli's putrescine receptor variant PotF/D (4JDF) with mutations E39D F88A S247D in complex with spermidine | Descriptor: | (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-yl]oxypropan-2-amine, (2~{S})-1-methoxypropan-2-amine, ... | Authors: | Shanmugaratnam, S, Kroeger, P, Hocker, B. | Deposit date: | 2021-06-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fine-tuning spermidine binding modes in the putrescine binding protein PotF. J.Biol.Chem., 297, 2021
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6Z7Z
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![BU of 6z7z by Molmil](/molmil-images/mine/6z7z) | |
6Z92
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![BU of 6z92 by Molmil](/molmil-images/mine/6z92) | [4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) solved by Fe-SAD phasing | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DUF523 domain-containing protein, ... | Authors: | Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B. | Deposit date: | 2020-06-03 | Release date: | 2020-09-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.067 Å) | Cite: | Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil. Angew.Chem.Int.Ed.Engl., 60, 2021
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8QHP
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8FDM
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![BU of 8fdm by Molmil](/molmil-images/mine/8fdm) | Human Hemoglobin in Complex with Nitrosomethane | Descriptor: | GLYCEROL, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Powell, S.M, Richter-Addo, G.B, Thomas, L.M. | Deposit date: | 2022-12-03 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. J.Inorg.Biochem., 246, 2023
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4XP8
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![BU of 4xp8 by Molmil](/molmil-images/mine/4xp8) | |
7QBD
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![BU of 7qbd by Molmil](/molmil-images/mine/7qbd) | TC:CD320 in complex with nanobody TC-Nb26 | Descriptor: | Antitranscobalamin-nanobody TC-Nb26, CALCIUM ION, CD320 antigen, ... | Authors: | Bloch, J.S, Locher, K.P. | Deposit date: | 2021-11-19 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.18 Å) | Cite: | Generation of nanobodies targeting the human, transcobalamin-mediated vitamin B 12 uptake route. Faseb J., 36, 2022
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7U2K
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![BU of 7u2k by Molmil](/molmil-images/mine/7u2k) | C6-guano bound Mu Opioid Receptor-Gi Protein Complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, H, Kobilka, B. | Deposit date: | 2022-02-24 | Release date: | 2022-12-07 | Last modified: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-based design of bitopic ligands for the μ-opioid receptor. Nature, 613, 2023
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6NPQ
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6XN1
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![BU of 6xn1 by Molmil](/molmil-images/mine/6xn1) | Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T. | Deposit date: | 2020-07-02 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations. Nat Commun, 12, 2021
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7BXA
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![BU of 7bxa by Molmil](/molmil-images/mine/7bxa) | Crystal structure of PD-1 in complex with tislelizumab Fab | Descriptor: | Programmed cell death protein 1, heavy chain, light chain | Authors: | Heo, Y.S, Lee, S.H, Lim, H, Lee, H.T, Kim, Y.J, Park, E.B. | Deposit date: | 2020-04-18 | Release date: | 2020-06-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Crystal structure of PD-1 in complex with an antibody-drug tislelizumab used in tumor immune checkpoint therapy. Biochem.Biophys.Res.Commun., 527, 2020
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8GSV
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![BU of 8gsv by Molmil](/molmil-images/mine/8gsv) | Crystal structure of human BAK in complex with the Pxt1 BH3 domain | Descriptor: | Bcl-2 homologous antagonist/killer, Peroxisomal testis-specific protein 1 | Authors: | Lim, D, Ku, B. | Deposit date: | 2022-09-07 | Release date: | 2023-05-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for proapoptotic activation of Bak by the noncanonical BH3-only protein Pxt1. Plos Biol., 21, 2023
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5JHX
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![BU of 5jhx by Molmil](/molmil-images/mine/5jhx) | Crystal Structure of Fungal MagKatG2 at pH 3.0 | Descriptor: | CITRATE ANION, Catalase-peroxidase 2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gasselhuber, B, Obinger, C, Carpena, X. | Deposit date: | 2016-04-21 | Release date: | 2016-06-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interaction with the Redox Cofactor MYW and Functional Role of a Mobile Arginine in Eukaryotic Catalase-Peroxidase. Biochemistry, 55, 2016
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6WAM
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![BU of 6wam by Molmil](/molmil-images/mine/6wam) | Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor | Descriptor: | SAVED domain-containing protein, SULFATE ION | Authors: | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
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1AX2
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![BU of 1ax2 by Molmil](/molmil-images/mine/1ax2) | |