6XE6
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![BU of 6xe6 by Molmil](/molmil-images/mine/6xe6) | Structure of Human Dispatched-1 (DISP1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1 | Authors: | Chen, H, Liu, Y, Li, X. | Deposit date: | 2020-06-12 | Release date: | 2020-07-08 | Last modified: | 2021-01-20 | Method: | ELECTRON MICROSCOPY (4.54 Å) | Cite: | Structure of human Dispatched-1 provides insights into Hedgehog ligand biogenesis. Life Sci Alliance, 3, 2020
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8FAW
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6XBJ
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![BU of 6xbj by Molmil](/molmil-images/mine/6xbj) | Structure of human SMO-D384R complex with Gi | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Qi, X, Long, T, Li, X. | Deposit date: | 2020-06-06 | Release date: | 2020-09-30 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Sterols in an intramolecular channel of Smoothened mediate Hedgehog signaling. Nat.Chem.Biol., 16, 2020
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6XBS
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![BU of 6xbs by Molmil](/molmil-images/mine/6xbs) | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA | Descriptor: | CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | Authors: | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | Deposit date: | 2020-06-07 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA To Be Published
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8FUT
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7BW6
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![BU of 7bw6 by Molmil](/molmil-images/mine/7bw6) | Varicella-zoster virus capsid | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | Authors: | Wang, P.Y, Qi, J.X, Liu, C.C, Sun, J.Q. | Deposit date: | 2020-04-13 | Release date: | 2020-09-23 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structure of the varicella-zoster virus A-capsid. Nat Commun, 11, 2020
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8FUU
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8FU2
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8FU5
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6ZAU
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![BU of 6zau by Molmil](/molmil-images/mine/6zau) | Damage-free nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | Deposit date: | 2020-06-05 | Release date: | 2021-01-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures. Sci Adv, 7, 2021
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1JPY
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![BU of 1jpy by Molmil](/molmil-images/mine/1jpy) | Crystal structure of IL-17F | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hymowitz, S.G, Filvaroff, E.H, Yin, J, Lee, J, Cai, L, Risser, P, Maruoka, M, Mao, W, Foster, J, Kelley, R, Pan, G, Gurney, A.L, de Vos, A.M, Starovasnik, M.A. | Deposit date: | 2001-08-03 | Release date: | 2001-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | IL-17s adopt a cystine knot fold: structure and activity of a novel cytokine, IL-17F, and implications for receptor binding. EMBO J., 20, 2001
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5C2G
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![BU of 5c2g by Molmil](/molmil-images/mine/5c2g) | GWS1B RubisCO: Form II RubisCO derived from uncultivated Gallionellacea species (CABP-bound). | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, Form II RubisCO, MAGNESIUM ION | Authors: | Arbing, M.A, Varaljay, V.A, Satagopan, S, Tabita, F.R. | Deposit date: | 2015-06-15 | Release date: | 2015-12-16 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Functional metagenomic selection of ribulose 1, 5-bisphosphate carboxylase/oxygenase from uncultivated bacteria. Environ.Microbiol., 18, 2016
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6ZEA
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![BU of 6zea by Molmil](/molmil-images/mine/6zea) | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, 1,2-ETHANEDIOL, ... | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2020-06-16 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline To Be Published
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8GN6
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![BU of 8gn6 by Molmil](/molmil-images/mine/8gn6) | Crystallization of Sialidase from Porphyromonas gingivalis | Descriptor: | Sialidase, UNKNOWN LIGAND | Authors: | Dong, W.B. | Deposit date: | 2022-08-23 | Release date: | 2023-04-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and enzymatic characterization of the sialidase SiaPG from Porphyromonas gingivalis. Acta Crystallogr.,Sect.F, 79, 2023
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6Z5C
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![BU of 6z5c by Molmil](/molmil-images/mine/6z5c) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 | Descriptor: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004070 To Be Published
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6ZL7
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![BU of 6zl7 by Molmil](/molmil-images/mine/6zl7) | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, MAGNESIUM ION, PMGL2 | Authors: | Goryaynova, D.A, Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2020-06-30 | Release date: | 2020-07-08 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY To Be Published
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8G69
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![BU of 8g69 by Molmil](/molmil-images/mine/8g69) | Wildtype PTP1b in complex with DES5743 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline, MAGNESIUM ION, ... | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | Deposit date: | 2023-02-14 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
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6ZLD
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![BU of 6zld by Molmil](/molmil-images/mine/6zld) | Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Glucuronic acid and NAD | Descriptor: | Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | Authors: | Iacovino, L.G, Savino, S, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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6ZLL
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![BU of 6zll by Molmil](/molmil-images/mine/6zll) | Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Galacturonic acid and NAD | Descriptor: | (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Iacovino, L.G, Savino, S, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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8G67
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![BU of 8g67 by Molmil](/molmil-images/mine/8g67) | Wildtype PTP1b in complex with DES4884 | Descriptor: | 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Greisman, J.B, Willmore, L, Yeh, C.Y, Giordanetto, F, Shahamadtar, S, Nisonoff, H, Maragakis, P, Shaw, D.E. | Deposit date: | 2023-02-14 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Validation of the Binding Poses of Allosteric Fragment Hits to Protein Tyrosine Phosphatase 1b: From Molecular Dynamics Simulations to X-ray Crystallography. J.Chem.Inf.Model., 63, 2023
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6Z9C
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![BU of 6z9c by Molmil](/molmil-images/mine/6z9c) | Structure of human POLDIP2, a multifaceted adaptor protein in metabolism and genome stability | Descriptor: | Polymerase delta-interacting protein 2, SODIUM ION | Authors: | Kulik, A.A, Maruszczak, K, Nabi, N.L.M, Bingham, R.J, Cooper, C.D.O. | Deposit date: | 2020-06-03 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure and molecular dynamics of human POLDIP2, a multifaceted adaptor protein in metabolism and genome stability. Protein Sci., 30, 2021
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8G3W
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![BU of 8g3w by Molmil](/molmil-images/mine/8g3w) | MBP-Mcl1 in complex with ligand 28 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Maltodextrin-binding protein, ... | Authors: | Miller, B.R, Shaffer, P. | Deposit date: | 2023-02-08 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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6ZGX
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![BU of 6zgx by Molmil](/molmil-images/mine/6zgx) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6Z4Z
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![BU of 6z4z by Molmil](/molmil-images/mine/6z4z) | Crystal structure of CLK1 in complex with macrocycle ODS2004070 | Descriptor: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Dual specificity protein kinase CLK1, GLYCEROL, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Crystal structure of CLK1 in complex with macrocycle ODS2004070 To Be Published
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6Z5D
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![BU of 6z5d by Molmil](/molmil-images/mine/6z5d) | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one, DIMETHYL SULFOXIDE, ... | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-26 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2004082 To Be Published
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