1UKE
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![BU of 1uke by Molmil](/molmil-images/mine/1uke) | UMP/CMP KINASE FROM SLIME MOLD | Descriptor: | MAGNESIUM ION, P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE, URIDYLMONOPHOSPHATE/CYTIDYLMONOPHOSPHATE KINASE | Authors: | Scheffzek, K, Kliche, W, Wiesmueller, L, Reinstein, J. | Deposit date: | 1998-01-07 | Release date: | 1998-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the complex of UMP/CMP kinase from Dictyostelium discoideum and the bisubstrate inhibitor P1-(5'-adenosyl) P5-(5'-uridyl) pentaphosphate (UP5A) and Mg2+ at 2.2 A: implications for water-mediated specificity. Biochemistry, 35, 1996
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1UNK
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![BU of 1unk by Molmil](/molmil-images/mine/1unk) | STRUCTURE OF COLICIN E7 IMMUNITY PROTEIN | Descriptor: | COLICIN E7 | Authors: | Ko, T.-P, Hsieh, S.-Y, Ku, W.-Y, Tseng, M.-Y, Chak, K.-F, Yuan, H.S. | Deposit date: | 1996-06-21 | Release date: | 1998-01-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel role of ImmE7 in the autoregulatory expression of the ColE7 operon and identification of possible RNase active sites in the crystal structure of dimeric ImmE7. EMBO J., 16, 1997
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4OIL
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![BU of 4oil by Molmil](/molmil-images/mine/4oil) | Crystal structure of T877A-AR-LBD bound with co-regulator peptide | Descriptor: | Androgen receptor, HYDROXYFLUTAMIDE, co-regulator peptide | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-19 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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4OKW
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![BU of 4okw by Molmil](/molmil-images/mine/4okw) | Crystal structure of W741L-AR-LBD bound with co-regulator peptide | Descriptor: | Androgen receptor, R-BICALUTAMIDE, co-regulator peptide | Authors: | Liu, J.S, Hsu, C.L, Wu, W.G. | Deposit date: | 2014-01-23 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a new androgen receptor (AR) co-regulator BUD31 and related peptides to suppress wild-type and mutated AR-mediated prostate cancer growth via peptide screening and X-ray structure analysis. Mol Oncol, 8, 2014
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3R9V
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![BU of 3r9v by Molmil](/molmil-images/mine/3r9v) | Cocrystal Structure of Proteolytically Truncated Form of IpaD from Shigella flexneri Bound to Deoxycholate | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCEROL, Invasin ipaD | Authors: | Barta, M.L, Dickenson, N.E, Picking, W.L, Picking, W.D, Geisbrecht, B.V. | Deposit date: | 2011-03-26 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of the bile salt binding site on IpaD from Shigella flexneri and the influence of ligand binding on IpaD structure. Proteins, 80, 2012
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3R1E
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![BU of 3r1e by Molmil](/molmil-images/mine/3r1e) | Crystal structure of GC(8BrG)GCGGC duplex | Descriptor: | BROMIDE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W. | Deposit date: | 2011-03-10 | Release date: | 2011-06-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (0.972 Å) | Cite: | Crystal structures of CGG RNA repeats with implications for fragile X-associated tremor ataxia syndrome. Nucleic Acids Res., 39, 2011
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2PKA
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![BU of 2pka by Molmil](/molmil-images/mine/2pka) | REFINED 2 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF PORCINE PANCREATIC KALLIKREIN A, A SPECIFIC TRYPSIN-LIKE SERINE PROTEINASE. CRYSTALLIZATION, STRUCTURE DETERMINATION, CRYSTALLOGRAPHIC REFINEMENT, STRUCTURE AND ITS COMPARISON WITH BOVINE TRYPSIN | Descriptor: | BENZAMIDINE, KALLIKREIN A | Authors: | Bode, W, Chen, Z. | Deposit date: | 1984-05-21 | Release date: | 1984-07-19 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Refined 2 A X-ray crystal structure of porcine pancreatic kallikrein A, a specific trypsin-like serine proteinase. Crystallization, structure determination, crystallographic refinement, structure and its comparison with bovine trypsin. J.Mol.Biol., 164, 1983
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1SF2
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![BU of 1sf2 by Molmil](/molmil-images/mine/1sf2) | Structure of E. coli gamma-aminobutyrate aminotransferase | Descriptor: | 1,2-ETHANEDIOL, 4-aminobutyrate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D. | Deposit date: | 2004-02-19 | Release date: | 2004-09-14 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase. Biochemistry, 43, 2004
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1SK6
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![BU of 1sk6 by Molmil](/molmil-images/mine/1sk6) | Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin, 3',5' cyclic AMP (cAMP), and pyrophosphate | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CALCIUM ION, Calmodulin, ... | Authors: | Guo, Q, Shen, Y, Zhukovskaya, N.L, Tang, W.J. | Deposit date: | 2004-03-04 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural and kinetic analyses of the interaction of anthrax adenylyl cyclase toxin with reaction products cAMP and pyrophosphate. J.Biol.Chem., 279, 2004
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2N8A
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![BU of 2n8a by Molmil](/molmil-images/mine/2n8a) | 1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break | Descriptor: | DNA (45-MER), Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Wu, W. | Deposit date: | 2015-10-08 | Release date: | 2015-12-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural Basis of Detection and Signaling of DNA Single-Strand Breaks by Human PARP-1. Mol.Cell, 60, 2015
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2MUW
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![BU of 2muw by Molmil](/molmil-images/mine/2muw) | NOE-based model of the influenza A virus N31S mutant (19-49) bound to drug 11 | Descriptor: | (3s,5s,7s)-N-[(5-bromothiophen-2-yl)methyl]tricyclo[3.3.1.1~3,7~]decan-1-aminium, Matrix protein 2 | Authors: | Wu, Y, Wang, J, DeGrado, W. | Deposit date: | 2014-09-18 | Release date: | 2014-12-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Flipping in the Pore: Discovery of Dual Inhibitors That Bind in Different Orientations to the Wild-Type versus the Amantadine-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel. J.Am.Chem.Soc., 136, 2014
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2N59
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![BU of 2n59 by Molmil](/molmil-images/mine/2n59) | Solution Structure of R. palustris CsgH | Descriptor: | Putative uncharacterized protein CsgH | Authors: | Hawthorne, W.J, Taylor, J.D, Escalera-Maurer, A, Lambert, S, Koch, M, Scull, N, Sefer, L, Xu, Y, Matthews, S.J. | Deposit date: | 2015-07-13 | Release date: | 2016-05-11 | Method: | SOLUTION NMR | Cite: | Electrostatically-guided inhibition of Curli amyloid nucleation by the CsgC-like family of chaperones. Sci Rep, 6, 2016
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3U8I
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![BU of 3u8i by Molmil](/molmil-images/mine/3u8i) | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | Descriptor: | CALCIUM ION, CHLORIDE ION, Phospholipase A2, ... | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | Deposit date: | 2011-10-17 | Release date: | 2012-10-17 | Last modified: | 2013-06-12 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes. J.Biol.Chem., 288, 2013
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1W21
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![BU of 1w21 by Molmil](/molmil-images/mine/1w21) | Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 43 hours at 291 K. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | Deposit date: | 2004-06-25 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites To be Published
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2QD2
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![BU of 2qd2 by Molmil](/molmil-images/mine/2qd2) | F110A variant of human ferrochelatase with protoheme bound | Descriptor: | BICARBONATE ION, CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Medlock, A.E, Dailey, T.A, Ross, T.A, Dailey, H.A, Lanzilota, W.N. | Deposit date: | 2007-06-20 | Release date: | 2007-10-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A pi-Helix Switch Selective for Porphyrin Deprotonation and Product Release in Human Ferrochelatase. J.Mol.Biol., 373, 2007
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2QNP
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![BU of 2qnp by Molmil](/molmil-images/mine/2qnp) | HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor | Descriptor: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide] | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-07-19 | Release date: | 2008-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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3U8D
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![BU of 3u8d by Molmil](/molmil-images/mine/3u8d) | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | Descriptor: | (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | Deposit date: | 2011-10-16 | Release date: | 2012-10-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.805 Å) | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes. J.Biol.Chem., 288, 2013
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3U8H
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![BU of 3u8h by Molmil](/molmil-images/mine/3u8h) | Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism | Descriptor: | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F. | Deposit date: | 2011-10-17 | Release date: | 2012-10-17 | Last modified: | 2013-06-12 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes. J.Biol.Chem., 288, 2013
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2QDL
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![BU of 2qdl by Molmil](/molmil-images/mine/2qdl) | |
1W29
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![BU of 1w29 by Molmil](/molmil-images/mine/1w29) | Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)butane 1-phosphate | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, 4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, ... | Authors: | Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2004-07-01 | Release date: | 2005-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,) Biochemistry, 44, 2005
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1W0V
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![BU of 1w0v by Molmil](/molmil-images/mine/1w0v) | Crystal Structure Of HLA-B*2705 Complexed With the self-Peptide TIS from EGF-response factor 1 | Descriptor: | BETA-2-MICROGLOBULIN, BUTYRATE RESPONSE FACTOR 2, GLYCEROL, ... | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2004-06-14 | Release date: | 2005-03-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide J.Mol.Biol., 346, 2005
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2QN4
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![BU of 2qn4 by Molmil](/molmil-images/mine/2qn4) | Structure and function study of rice bifunctional alpha-amylase/subtilisin inhibitor from Oryza sativa | Descriptor: | Alpha-amylase/subtilisin inhibitor | Authors: | Peng, W.Y, Lin, Y.H, Huang, Y.C, Guan, H.H, Hsieh, Y.C, Chen, C.J. | Deposit date: | 2007-07-18 | Release date: | 2008-07-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and Function Study of Rice Bifunctional Alpha-Amylase/Subtilisin Inhibitor from Oryza Sativa To be Published
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2QNQ
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![BU of 2qnq by Molmil](/molmil-images/mine/2qnq) | HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor | Descriptor: | CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide) | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-07-19 | Release date: | 2008-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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2QZ8
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![BU of 2qz8 by Molmil](/molmil-images/mine/2qz8) | Crystal structure of Mycobacterium tuberculosis Leucine response regulatory protein (LrpA) | Descriptor: | Probable transcriptional regulatory protein | Authors: | Manchi, C.M.R, Gokulan, K, Ioerger, T, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-08-16 | Release date: | 2007-11-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis LrpA, a leucine-responsive global regulator associated with starvation response. Protein Sci., 17, 2008
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7OSH
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![BU of 7osh by Molmil](/molmil-images/mine/7osh) | ABC Transporter complex NosDFYL, R-domain 2 | Descriptor: | COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ... | Authors: | Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O. | Deposit date: | 2021-06-08 | Release date: | 2022-06-22 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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