7MH8
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![BU of 7mh8 by Molmil](/molmil-images/mine/7mh8) | Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-methyltyrosine | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Mathews, I, Weaver, J, Boxer, S.G. | Deposit date: | 2021-04-14 | Release date: | 2021-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MH3
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![BU of 7mh3 by Molmil](/molmil-images/mine/7mh3) | Crystal structure of R. sphaeroides Photosynthetic Reaction Center variant; Y(M210)3-chlorotyrosine | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | Authors: | Mathews, I, Weaver, J.B, Boxer, S.G. | Deposit date: | 2021-04-14 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photosynthetic reaction center variants made via genetic code expansion show Tyr at M210 tunes the initial electron transfer mechanism. Proc.Natl.Acad.Sci.USA, 118, 2021
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5CQJ
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![BU of 5cqj by Molmil](/molmil-images/mine/5cqj) | Crystal structure of E. coli undecaprenyl pyrophosphate synthase in complex with clomiphene | Descriptor: | Clomifene, Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | Authors: | Worrall, L.J, Conrady, D.G, Strynadka, N.C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Antagonism screen for inhibitors of bacterial cell wall biogenesis uncovers an inhibitor of undecaprenyl diphosphate synthase. Proc.Natl.Acad.Sci.USA, 112, 2015
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7M5B
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![BU of 7m5b by Molmil](/molmil-images/mine/7m5b) | |
7MDI
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![BU of 7mdi by Molmil](/molmil-images/mine/7mdi) | Structure of the Neisseria gonorrhoeae ribonucleotide reductase in the inactive state | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Levitz, T.S, Drennan, C.L, Brignole, E.J. | Deposit date: | 2021-04-05 | Release date: | 2022-01-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Effects of chameleon dispense-to-plunge speed on particle concentration, complex formation, and final resolution: A case study using the Neisseria gonorrhoeae ribonucleotide reductase inactive complex. J.Struct.Biol., 214, 2021
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7M5C
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7MFX
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6FH8
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![BU of 6fh8 by Molmil](/molmil-images/mine/6fh8) | E. coli surface display of streptavidin for directed evolution of an allylic deallocase | Descriptor: | Streptavidin, biotinylated ruthenium cyclopentadienide | Authors: | Heinisch, T, Schwizer, F, Garabedian, B, Csibra, E, Jeschek, M, Pinheiro Bernhardes, V, Marliere, P, Panke, S, Ward, T.R. | Deposit date: | 2018-01-12 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | E. colisurface display of streptavidin for directed evolution of an allylic deallylase. Chem Sci, 9, 2018
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5A45
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![BU of 5a45 by Molmil](/molmil-images/mine/5a45) | Structure of Bacteriorhodopsin obtained from 5um crystals by multi crystal data collection | Descriptor: | BACTERIORHODOPSIN, RETINAL | Authors: | Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A. | Deposit date: | 2015-06-05 | Release date: | 2015-11-11 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines. Acta Crystallogr.,Sect.D, 71, 2015
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6FHL
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![BU of 6fhl by Molmil](/molmil-images/mine/6fhl) | Cryo-EM structure of F-actin in complex with ADP-Pi | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Merino, F, Pospich, S, Funk, J, Wagner, T, Kuellmer, F, Arndt, H.-D, Bieling, P, Raunser, S. | Deposit date: | 2018-01-15 | Release date: | 2018-06-13 | Last modified: | 2018-08-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural transitions of F-actin upon ATP hydrolysis at near-atomic resolution revealed by cryo-EM. Nat. Struct. Mol. Biol., 25, 2018
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7M5A
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6FLI
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5AEN
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![BU of 5aen by Molmil](/molmil-images/mine/5aen) | Structure of human Leukotriene A4 hydrolase in complex with inhibitor dimethyl(2- (4-phenoxyphenoxy)ethyl)amine | Descriptor: | IMIDAZOLE, LEUKOTRIENE A-4 HYDROLASE, N,N-dimethyl-2-(4-phenoxyphenoxy)ethanamine, ... | Authors: | Moser, D, Wittmann, S.K, Kramer, J, Blocher, R, Achenbach, J, Pogoryelov, D, Proschak, E. | Deposit date: | 2015-01-06 | Release date: | 2015-02-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.864 Å) | Cite: | Peng: A Neural Gas-Based Approach for Pharmacophore Elucidation. Method Design, Validation and Virtual Screening for Novel Ligands of Lta4H. J.Chem.Inf.Model., 55, 2015
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6FHW
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![BU of 6fhw by Molmil](/molmil-images/mine/6fhw) | Structure of Hormoconis resinae Glucoamylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S. | Deposit date: | 2018-01-15 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains. Acta Crystallogr D Struct Biol, 74, 2018
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5AJP
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![BU of 5ajp by Molmil](/molmil-images/mine/5ajp) | Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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7NUP
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![BU of 7nup by Molmil](/molmil-images/mine/7nup) | Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand | Descriptor: | (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mpakali, A, Giastas, P, Stratikos, E. | Deposit date: | 2021-03-12 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Endoplasmic reticulum aminopeptidase 2 complexed with a mixed hydroxamic and sulfonyl ligand To Be Published
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5ADD
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![BU of 5add by Molmil](/molmil-images/mine/5add) | Structure of rat neuronal nitric oxide synthase d597n m336v mutant heme domain in complex with 7-((3-(methylamino)methyl) phenoxy)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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7NSK
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![BU of 7nsk by Molmil](/molmil-images/mine/7nsk) | Endoplasmic reticulum aminopeptidase 2 complexed with a hydroxamic ligand | Descriptor: | (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | Authors: | Mpakali, A, Giastas, P, Stratikos, E. | Deposit date: | 2021-03-08 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Endoplasmic reticulum aminopeptidase 2 in complex with a phosphinic ligand To Be Published
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5AD4
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![BU of 5ad4 by Molmil](/molmil-images/mine/5ad4) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Dimethylamino)ethyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5AGO
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![BU of 5ago by Molmil](/molmil-images/mine/5ago) | Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid | Descriptor: | (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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6FO2
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![BU of 6fo2 by Molmil](/molmil-images/mine/6fo2) | CryoEM structure of bovine cytochrome bc1 with no ligand bound | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 1, mitochondrial, ... | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | Deposit date: | 2018-02-05 | Release date: | 2018-02-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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5AB2
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![BU of 5ab2 by Molmil](/molmil-images/mine/5ab2) | Crystal structure of aminopeptidase ERAP2 with ligand | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mpakali, A, Giastas, P, Saridakis, E, Mavridis, I.M, Stratikos, E. | Deposit date: | 2015-07-31 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.729 Å) | Cite: | Structural Basis for Antigenic Peptide Recognition and Processing by Endoplasmic Reticulum (Er) Aminopeptidase 2. J.Biol.Chem., 290, 2015
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5ADL
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![BU of 5adl by Molmil](/molmil-images/mine/5adl) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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6G6U
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![BU of 6g6u by Molmil](/molmil-images/mine/6g6u) | The dynamic nature of the VDAC1 channels in bilayers: human VDAC1 at 2.7 Angstrom resolution | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, NITRATE ION, Voltage-dependent anion-selective channel protein 1 | Authors: | Razeto, A, Gribbon, P, Loew, C. | Deposit date: | 2018-04-03 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | The dynamic nature of the VDAC1 channels in bilayers as revealed by two crystal structures of the human isoform in bicelles at 2.7 and 3.3 Angstrom resolution: implications for VDAC1 voltage-dependent mechanism and for its oligomerization To Be Published
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5DG1
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![BU of 5dg1 by Molmil](/molmil-images/mine/5dg1) | Sugar binding protein - human galectin-2 | Descriptor: | Galectin-2, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J.Y, Si, Y.L. | Deposit date: | 2015-08-27 | Release date: | 2016-09-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination. Acta Biochim.Biophys.Sin., 2016
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