7AGZ
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![BU of 7agz by Molmil](/molmil-images/mine/7agz) | BsrV no-histagged | Descriptor: | Broad specificity amino-acid racemase, CHLORIDE ION, GLYCEROL, ... | Authors: | Carrasco-Lopez, C, Rojas-Altuve, A, Espaillat, A, Cava, F, Hermoso, J.A. | Deposit date: | 2020-09-23 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity. Comput Struct Biotechnol J, 19, 2021
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8C6C
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![BU of 8c6c by Molmil](/molmil-images/mine/8c6c) | Light SFX structure of D.m(6-4)photolyase at 300ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6H
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![BU of 8c6h by Molmil](/molmil-images/mine/8c6h) | Light SFX structure of D.m(6-4)photolyase at 2ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C1U
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![BU of 8c1u by Molmil](/molmil-images/mine/8c1u) | SFX structure of D.m(6-4)photolyase | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2022-12-21 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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6MLT
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![BU of 6mlt by Molmil](/molmil-images/mine/6mlt) | Crystal structure of the V. cholerae biofilm matrix protein Bap1 | Descriptor: | CALCIUM ION, CITRATE ANION, GLYCEROL, ... | Authors: | Kaus, K, Biester, A, Chupp, E, Lu, K, Vidsudharomn, C, Olson, R. | Deposit date: | 2018-09-28 | Release date: | 2019-08-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The 1.9 angstrom crystal structure of the extracellular matrix protein Bap1 fromVibrio choleraeprovides insights into bacterial biofilm adhesion. J.Biol.Chem., 294, 2019
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6YBL
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![BU of 6ybl by Molmil](/molmil-images/mine/6ybl) | Structure of MBP-Mcl-1 in complex with compound 9m | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | Deposit date: | 2020-03-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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8C69
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![BU of 8c69 by Molmil](/molmil-images/mine/8c69) | Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6A
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![BU of 8c6a by Molmil](/molmil-images/mine/8c6a) | Light SFX structure of D.m(6-4)photolyase at 1ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6B
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![BU of 8c6b by Molmil](/molmil-images/mine/8c6b) | Light SFX structure of D.m(6-4)photolyase at 20ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6F
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![BU of 8c6f by Molmil](/molmil-images/mine/8c6f) | Light SFX structure of D.m(6-4)photolyase at 400fs time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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6MTD
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![BU of 6mtd by Molmil](/molmil-images/mine/6mtd) | Rabbit 80S ribosome with eEF2 and SERBP1 (unrotated state with 40S head swivel) | Descriptor: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | Authors: | Brown, A, Baird, M.R, Yip, M.C.J, Murray, J, Shao, S. | Deposit date: | 2018-10-19 | Release date: | 2018-11-21 | Last modified: | 2019-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of translationally inactive mammalian ribosomes. Elife, 7, 2018
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8CIL
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![BU of 8cil by Molmil](/molmil-images/mine/8cil) | |
6PFZ
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![BU of 6pfz by Molmil](/molmil-images/mine/6pfz) | Structure of a NAD-Dependent Persulfide Reductase from A. fulgidus | Descriptor: | CALCIUM ION, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Sazinsky, M.H, Shabdar, S, Garcia-Constineiras, A, Crane III, E.J. | Deposit date: | 2019-06-23 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.10003877 Å) | Cite: | Structural and Kinetic Characterization of Hyperthermophilic NADH-Dependent Persulfide Reductase from Archaeoglobus fulgidus . Archaea, 2021, 2021
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6P09
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![BU of 6p09 by Molmil](/molmil-images/mine/6p09) | Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+ | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | Deposit date: | 2019-05-16 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
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6MUJ
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![BU of 6muj by Molmil](/molmil-images/mine/6muj) | Formylglycine generating enzyme bound to copper | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, COPPER (II) ION, ... | Authors: | Lafrance-Vanasse, J, Appel, M.J, Tsai, C.-L, Bertozzi, C, Tainer, J.A. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O2activation. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6N2X
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![BU of 6n2x by Molmil](/molmil-images/mine/6n2x) | Anti-HIV-1 Fab 2G12 + Man9 re-refinement | Descriptor: | Fab 2G12 heavy chain, Fab 2G12 light chain, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Calarese, D.A, Stanfield, R.L, Wilson, I.A. | Deposit date: | 2018-11-14 | Release date: | 2018-11-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Antibody domain exchange is an immunological solution to carbohydrate cluster recognition. Science, 300, 2003
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8EPN
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![BU of 8epn by Molmil](/molmil-images/mine/8epn) | |
6PJL
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![BU of 6pjl by Molmil](/molmil-images/mine/6pjl) | HIV-1 Protease NL4-3 WT in Complex with LR3-95 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alloisoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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8CC4
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![BU of 8cc4 by Molmil](/molmil-images/mine/8cc4) | LasB bound to phosphonic acid based inhibitor | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | Authors: | Mueller, R, Sikandar, A. | Deposit date: | 2023-01-26 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections. Acs Cent.Sci., 9, 2023
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6N6P
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![BU of 6n6p by Molmil](/molmil-images/mine/6n6p) | Crystal structure of [FeFe]-hydrogenase in the presence of 7 mM Sodium dithionite | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Zadvornyy, O.A, Keable, S.M, Peters, J.W. | Deposit date: | 2018-11-26 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tuning Catalytic Bias of Hydrogen Gas Producing Hydrogenases. J.Am.Chem.Soc., 142, 2020
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8EPP
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![BU of 8epp by Molmil](/molmil-images/mine/8epp) | |
1BB3
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![BU of 1bb3 by Molmil](/molmil-images/mine/1bb3) | |
6P5R
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![BU of 6p5r by Molmil](/molmil-images/mine/6p5r) | Structure of T. brucei MERS1-GDP complex | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Mitochondrial edited mRNA stability factor 1 | Authors: | Schumacher, M.A. | Deposit date: | 2019-05-30 | Release date: | 2019-11-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of MERS1, the 5' processing enzyme of mitochondrial mRNAs inTrypanosoma brucei. Rna, 26, 2020
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6YBJ
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![BU of 6ybj by Molmil](/molmil-images/mine/6ybj) | Structure of MBP-Mcl-1 in complex with compound 3e | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Surgenor, A.E, Murray, J.B. | Deposit date: | 2020-03-17 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
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