6B9Y
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![BU of 6b9y by Molmil](/molmil-images/mine/6b9y) | Trastuzumab Fab v3 in complex with 5-phenyl meditope variant | Descriptor: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | Authors: | Bzymek, K.P, King, J.D, Williams, J.C. | Deposit date: | 2017-10-11 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag. Bioconjug. Chem., 29, 2018
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6B9Z
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![BU of 6b9z by Molmil](/molmil-images/mine/6b9z) | Trastuzumab Fab v3 | Descriptor: | Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain, ... | Authors: | Bzymek, K.P, King, J.D, Williams, J.C. | Deposit date: | 2017-10-11 | Release date: | 2018-09-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag. Bioconjug. Chem., 29, 2018
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6BGG
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![BU of 6bgg by Molmil](/molmil-images/mine/6bgg) | Solution NMR structures of the BRD3 ET domain in complex with a CHD4 peptide | Descriptor: | Bromodomain-containing protein 3, CHD4 | Authors: | Wai, D.C.C, Szyszka, T.N, Campbell, A.E, Kwong, C, Wilkinson-White, L, Silva, A.P.G, Low, J.K.K, Kwan, A.H, Gamsjaeger, R, Lu, B, Vakoc, C.R, Blobel, G.A, Mackay, J.P. | Deposit date: | 2017-10-28 | Release date: | 2018-03-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The BRD3 ET domain recognizes a short peptide motif through a mechanism that is conserved across chromatin remodelers and transcriptional regulators. J. Biol. Chem., 293, 2018
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6BS5
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![BU of 6bs5 by Molmil](/molmil-images/mine/6bs5) | Crystal structure of AMP-PNP-bound bacterial Get3-like A and B in Mycobacterium tuberculosis | Descriptor: | Anion transporter, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Li, H, Hu, K, Kovach, A. | Deposit date: | 2017-12-01 | Release date: | 2019-05-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis. J.Bacteriol., 201, 2019
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6BJY
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![BU of 6bjy by Molmil](/molmil-images/mine/6bjy) | VSV Nucleocapsid with Polyamide Bound | Descriptor: | 4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide, Nucleoprotein, RNA (45-MER), ... | Authors: | Gumpper, R.H, Luo, M. | Deposit date: | 2017-11-07 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | A Polyamide Inhibits Replication of Vesicular Stomatitis Virus by Targeting RNA in the Nucleocapsid. J. Virol., 92, 2018
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6BS4
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![BU of 6bs4 by Molmil](/molmil-images/mine/6bs4) | Crystal structure of ATPgammaS-bound bacterial Get3-like A and B in Mycobacterium tuberculosis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Anion transporter, MAGNESIUM ION, ... | Authors: | Li, H, Hu, K, Kovach, A. | Deposit date: | 2017-12-01 | Release date: | 2019-05-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis. J.Bacteriol., 201, 2019
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6CJV
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![BU of 6cjv by Molmil](/molmil-images/mine/6cjv) | Carbonic anhydrase IX-mimic in complex with sucralose | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Carbonic anhydrase 2, ZINC ION | Authors: | Lomelino, C.L, Murray, A.B, McKenna, R. | Deposit date: | 2018-02-26 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.547 Å) | Cite: | Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett, 9, 2018
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6UIE
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![BU of 6uie by Molmil](/molmil-images/mine/6uie) | Structure of the cytoplasmic domain of the T3SS sorting platform protein PscK from P. aeruginosa | Descriptor: | CHLORIDE ION, Type III export protein PscK | Authors: | Muthuramalingam, M, Lovell, S, Battaile, K.P, Picking, W.D. | Deposit date: | 2019-09-30 | Release date: | 2020-10-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Structures of SctK and SctD from Pseudomonas aeruginosa Reveal the Interface of the Type III Secretion System Basal Body and Sorting Platform. J.Mol.Biol., 432, 2020
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6UJF
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![BU of 6ujf by Molmil](/molmil-images/mine/6ujf) | Crystal structure of the Clostridial cellulose synthase subunit Z (CcsZ) from Clostridioides difficile | Descriptor: | Endoglucanase, beta-D-glucopyranose | Authors: | Scott, W, Lowrance, B, Anderson, A.C, Weadge, J.T. | Deposit date: | 2019-10-03 | Release date: | 2020-10-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of the Clostridial cellulose synthase and characterization of the cognate glycosyl hydrolase, CcsZ. Plos One, 15, 2020
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6BS3
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![BU of 6bs3 by Molmil](/molmil-images/mine/6bs3) | Crystal structure of ADP-bound bacterial Get3-like A and B in Mycobacterium tuberculosis | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Anion transporter, CALCIUM ION, ... | Authors: | Li, H, Hu, K, Kovach, A. | Deposit date: | 2017-12-01 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Guided Entry of Tail-Anchored Proteins 3 Homologues in Mycobacterium tuberculosis. J.Bacteriol., 201, 2019
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6CUM
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![BU of 6cum by Molmil](/molmil-images/mine/6cum) | |
2BKJ
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![BU of 2bkj by Molmil](/molmil-images/mine/2bkj) | |
6TTD
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![BU of 6ttd by Molmil](/molmil-images/mine/6ttd) | Crystal structure of McoA multicopper oxidase 2F4 variant from the hyperthermophile Aquifex aeolicus | Descriptor: | COPPER (II) ION, GLYCEROL, Multicopper oxidase, ... | Authors: | Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C. | Deposit date: | 2019-12-26 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase Acs Catalysis, 2022
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6BGH
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![BU of 6bgh by Molmil](/molmil-images/mine/6bgh) | |
6WNS
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![BU of 6wns by Molmil](/molmil-images/mine/6wns) | |
6X3Y
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![BU of 6x3y by Molmil](/molmil-images/mine/6x3y) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-21 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4N
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![BU of 6x4n by Molmil](/molmil-images/mine/6x4n) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24) | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4O
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![BU of 6x4o by Molmil](/molmil-images/mine/6x4o) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | Descriptor: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6AMF
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![BU of 6amf by Molmil](/molmil-images/mine/6amf) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36E at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | Deposit date: | 2017-08-09 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair. J Phys Chem B, 122, 2018
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6WN0
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![BU of 6wn0 by Molmil](/molmil-images/mine/6wn0) | The structure of a CoA-dependent acyl-homoserine lactone synthase, RpaI, with the adduct of SAH and p-coumaroyl CoA | Descriptor: | (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid, 4-coumaroyl-homoserine lactone synthase, COENZYME A | Authors: | Dong, S.-H, Nair, S.K. | Deposit date: | 2020-04-22 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities. Acs Chem.Biol., 15, 2020
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6CI0
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![BU of 6ci0 by Molmil](/molmil-images/mine/6ci0) | Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | Authors: | Liu, J, Hiser, C, Ferguson-Miller, S. | Deposit date: | 2018-02-23 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain. Biochim. Biophys. Acta, 1859, 2018
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6D37
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![BU of 6d37 by Molmil](/molmil-images/mine/6d37) | |
6DAW
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![BU of 6daw by Molmil](/molmil-images/mine/6daw) | X-ray crystal structure of NapI L-arginine desaturase bound to Fe(II), L-arginine, and acetate | Descriptor: | ACETATE ION, ARGININE, FE (II) ION, ... | Authors: | Mitchell, A.J, Dunham, N.P, Boal, A.K. | Deposit date: | 2018-05-02 | Release date: | 2018-05-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance. J. Am. Chem. Soc., 140, 2018
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1J75
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![BU of 1j75 by Molmil](/molmil-images/mine/1j75) | Crystal Structure of the DNA-Binding Domain Zalpha of DLM-1 Bound to Z-DNA | Descriptor: | 5'-D(*TP*CP*GP*CP*GP*CP*G)-3', Tumor Stroma and Activated Macrophage Protein DLM-1 | Authors: | Schwartz, T, Behlke, J, Lowenhaupt, K, Heinemann, U, Rich, A. | Deposit date: | 2001-05-15 | Release date: | 2001-09-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the DLM-1-Z-DNA complex reveals a conserved family of Z-DNA-binding proteins. Nat.Struct.Biol., 8, 2001
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4JMZ
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![BU of 4jmz by Molmil](/molmil-images/mine/4jmz) | |