6POW
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![BU of 6pow by Molmil](/molmil-images/mine/6pow) | Structure of human endotheial nitric oxide synthase heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-4-methylquinolin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2019-07-05 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
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5A0V
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![BU of 5a0v by Molmil](/molmil-images/mine/5a0v) | Catalysis and 5' end sensing by ribonuclease RNase J of the metallo- beta-lactamase family | Descriptor: | 5'-R(*CP*GP*CP*CP*UP*CP)-3', CYTIDINE-5'-MONOPHOSPHATE, RIBONUCLEASE J, ... | Authors: | Pei, X.Y, Bralley, P, Jones, G.H, Luisi, B.F. | Deposit date: | 2015-04-23 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Linkage of Catalysis and 5' End Recognition in Ribonuclease Rnase J Nucleic Acids Res., 43, 2015
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8Q1J
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![BU of 8q1j by Molmil](/molmil-images/mine/8q1j) | LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | Authors: | Barone, M, Mattevi, A. | Deposit date: | 2023-07-31 | Release date: | 2024-05-15 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1. Nat.Chem.Biol., 2024
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6AXU
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![BU of 6axu by Molmil](/molmil-images/mine/6axu) | W203Y Epi-isozizaene synthase | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | Authors: | Blank, P.N, Barrow, G.H, Christianson, D.W. | Deposit date: | 2017-09-07 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes. Biochemistry, 56, 2017
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7ORC
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![BU of 7orc by Molmil](/molmil-images/mine/7orc) | Human Aldehyde Oxidase in complex with Raloxifene | Descriptor: | Aldehyde oxidase, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. | Deposit date: | 2021-06-05 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
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6PPQ
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7W4V
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8BBR
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![BU of 8bbr by Molmil](/molmil-images/mine/8bbr) | Determination of the structure of active tyrosinase from bacterium Verrucomicrobium spinosum | Descriptor: | COPPER (II) ION, Core tyrosinase, SULFATE ION | Authors: | Fekry, M, Dave, K, Badgujar, D, Aurelius, O, Hamnevik, E, Dobritzsch, D, Danielson, H. | Deposit date: | 2022-10-14 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The Crystal Structure of Tyrosinase from Verrucomicrobium spinosum Reveals It to Be an Atypical Bacterial Tyrosinase. Biomolecules, 13, 2023
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7W4U
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8BJE
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![BU of 8bje by Molmil](/molmil-images/mine/8bje) | A structure of the truncated LpMIP with bound inhibitor JK236. | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Peptidyl-prolyl cis-trans isomerase | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | Deposit date: | 2022-11-04 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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6MSW
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![BU of 6msw by Molmil](/molmil-images/mine/6msw) | Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans, K184L mutant | Descriptor: | Deoxyribose-phosphate aldolase, GLYCEROL | Authors: | Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A. | Deposit date: | 2018-10-18 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.169 Å) | Cite: | Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol. J.Biol.Chem., 295, 2020
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7P2H
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![BU of 7p2h by Molmil](/molmil-images/mine/7p2h) | Dimethylated fusion protein of RSL and mussel adhesion peptide (Mefp) in complex with cucurbit[7]uril, H3 sheet assembly | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2021-07-06 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 27, 2021
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5AH4
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![BU of 5ah4 by Molmil](/molmil-images/mine/5ah4) | The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | Descriptor: | CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-04 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.313 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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6V8W
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![BU of 6v8w by Molmil](/molmil-images/mine/6v8w) | CDYL2 chromodomain in complex with a synthetic peptide | Descriptor: | Chromodomain Y-like protein 2, IVA-PHE-ALA-PHE-5T3-SER-NH2, UNKNOWN ATOM OR ION | Authors: | Dong, C, Tempel, W, James, L.I, Lamb, K.N, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-12 | Release date: | 2020-01-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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6V98
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![BU of 6v98 by Molmil](/molmil-images/mine/6v98) | Crystal structure of Type VI secretion system effector, TseH (VCA0285) | Descriptor: | CALCIUM ION, Cysteine hydrolase | Authors: | Watanabe, N, Hersch, S.J, Dong, T.G, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-13 | Release date: | 2020-01-15 | Last modified: | 2020-05-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Envelope stress responses defend against type six secretion system attacks independently of immunity proteins. Nat Microbiol, 5, 2020
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6AYM
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![BU of 6aym by Molmil](/molmil-images/mine/6aym) | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) | Descriptor: | 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
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7WDH
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![BU of 7wdh by Molmil](/molmil-images/mine/7wdh) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2021-12-21 | Release date: | 2022-12-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
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6AXR
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7P2I
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![BU of 7p2i by Molmil](/molmil-images/mine/7p2i) | Dimethylated fusion protein of RSL and nucleoporin peptide (Nup) in complex with cucurbit[7]uril, F432 cage assembly | Descriptor: | Fucose-binding lectin protein, cucurbit[7]uril, methyl alpha-L-fucopyranoside | Authors: | Guagnini, F, Ramberg, K, Crowley, P.B. | Deposit date: | 2021-07-06 | Release date: | 2021-09-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.489 Å) | Cite: | Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons. Chemistry, 27, 2021
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6MT9
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![BU of 6mt9 by Molmil](/molmil-images/mine/6mt9) | X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit with TTP, ATP, and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Thomas, W.C, Brooks, F.P, Bacik, J.P, Ando, N. | Deposit date: | 2018-10-19 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Convergent allostery in ribonucleotide reductase. Nat Commun, 10, 2019
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6AYS
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![BU of 6ays by Molmil](/molmil-images/mine/6ays) | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hexylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(hexylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
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8DAY
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![BU of 8day by Molmil](/molmil-images/mine/8day) | Crystal Structure of DMATS1 prenyltransferase in complex with L-Tyr and DMSPP | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, Dimethylallyltryptophan synthase 1, TYROSINE | Authors: | Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. | Deposit date: | 2022-06-14 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi . Biochemistry, 61, 2022
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7OLX
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![BU of 7olx by Molmil](/molmil-images/mine/7olx) | MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group | Descriptor: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
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6V7L
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![BU of 6v7l by Molmil](/molmil-images/mine/6v7l) | The structure of the P212121 crystal form of canavalin at 173 K | Descriptor: | BENZOIC ACID, Canavalin | Authors: | McPherson, A. | Deposit date: | 2019-12-08 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures. Biochem.Biophys.Res.Commun., 524, 2020
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6AXV
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