8R8Q
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![BU of 8r8q by Molmil](/molmil-images/mine/8r8q) | Lysosomal peptide transporter | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosylated lysosomal membrane protein, Major facilitator superfamily domain-containing protein 1 | Authors: | Jungnickel, K.E.J, Loew, C. | Deposit date: | 2023-11-29 | Release date: | 2024-05-01 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.08 Å) | Cite: | MFSD1 with its accessory subunit GLMP functions as a general dipeptide uniporter in lysosomes. Nat.Cell Biol., 2024
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6Z11
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![BU of 6z11 by Molmil](/molmil-images/mine/6z11) | Structure of Mycobacterium smegmatis HelD protein in complex with RNA polymerase core - State III, primary channel dis-engaged and active site interfering | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Kouba, T, Koval, T, Krasny, L, Dohnalek, J. | Deposit date: | 2020-05-11 | Release date: | 2020-11-04 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | HelD, a helicase-like protein from gram-positive bacteria
in complex with RNA polymerase To Be Published
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6ZEE
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![BU of 6zee by Molmil](/molmil-images/mine/6zee) | Structure of PP1(7-300) bound to Phactr1 (507-580) at pH8.4 | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, GLYCEROL, ... | Authors: | Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M. | Deposit date: | 2020-06-16 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme. Elife, 9, 2020
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6Z2W
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![BU of 6z2w by Molmil](/molmil-images/mine/6z2w) | Mec1-Ddc2 (F2244L mutant) in complex with Mg AMP-PNP | Descriptor: | DNA damage checkpoint protein LCD1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Yates, L.A, Zhang, X. | Deposit date: | 2020-05-18 | Release date: | 2020-11-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase. Nat.Struct.Mol.Biol., 28, 2021
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7QUO
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![BU of 7quo by Molmil](/molmil-images/mine/7quo) | FimH lectin domain in complex with oligomannose-6 | Descriptor: | FimH, NICKEL (II) ION, SULFATE ION, ... | Authors: | Bouckaert, J, Bourenkov, G.P. | Deposit date: | 2022-01-18 | Release date: | 2023-02-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors J.Biol.Chem., 299, 2023
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6Z5O
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![BU of 6z5o by Molmil](/molmil-images/mine/6z5o) | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH COENZYME-A AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE | Descriptor: | COENZYME A, GLYCEROL, NICOTINAMIDE, ... | Authors: | Wierenga, R.K, Sridhar, S, Kiema, T.R. | Deposit date: | 2020-05-27 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites. Acta Crystallogr D Struct Biol, 76, 2020
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6Z7F
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6Z7L
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![BU of 6z7l by Molmil](/molmil-images/mine/6z7l) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789 | Descriptor: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2020-05-31 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.624 Å) | Cite: | GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 63, 2020
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6Z7T
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![BU of 6z7t by Molmil](/molmil-images/mine/6z7t) | Nucleotide-free Myosin-II motor domain | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Ewert, W, Preller, M. | Deposit date: | 2020-06-01 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke. Int J Mol Sci, 21, 2020
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6Z85
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![BU of 6z85 by Molmil](/molmil-images/mine/6z85) | inhibitory human GTP cyclohydrolase I - GFRP complex | Descriptor: | 7,8-DIHYDROBIOPTERIN, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ... | Authors: | Ebenhoch, R, Nar, H, Vonck, J. | Deposit date: | 2020-06-02 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z3L
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![BU of 6z3l by Molmil](/molmil-images/mine/6z3l) | Repulsive Guidance Molecule C (RGMC, Hemojuvelin, HJV, HFE2) in complex with Growth Differentiation Factor 5 (GDF5) | Descriptor: | Growth/differentiation factor 5, Hemojuvelin | Authors: | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.513 Å) | Cite: | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z0D
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![BU of 6z0d by Molmil](/molmil-images/mine/6z0d) | |
6Z5K
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![BU of 6z5k by Molmil](/molmil-images/mine/6z5k) | PqsR (MvfR) in complex with antagonist 18 | Descriptor: | 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR | Authors: | Richardson, W.K, Emsley, J. | Deposit date: | 2020-05-26 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR. Eur.J.Med.Chem., 208, 2020
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6Z1J
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![BU of 6z1j by Molmil](/molmil-images/mine/6z1j) | Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LSP co-crystallization with spheroidene | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, BACTERIOCHLOROPHYLL A, ... | Authors: | Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Betzel, C, Selikhanov, G.K. | Deposit date: | 2020-05-13 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel approaches for the lipid sponge phase crystallization of the Rhodobacter sphaeroides photosynthetic reaction center. Iucrj, 7, 2020
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6Z2X
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![BU of 6z2x by Molmil](/molmil-images/mine/6z2x) | Mec1-Ddc2 (F2244L mutant) in complex with Mg AMP-PNP (State II) | Descriptor: | DNA damage checkpoint protein LCD1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Yates, L.A, Zhang, X. | Deposit date: | 2020-05-18 | Release date: | 2020-11-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of auto-inhibition and activation of Mec1 ATR checkpoint kinase. Nat.Struct.Mol.Biol., 28, 2021
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7QCN
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6Z44
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![BU of 6z44 by Molmil](/molmil-images/mine/6z44) | Crystal structure of the cAMP-dependent protein kinase A in complex with phenol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ... | Authors: | Oebbeke, M, Heine, A, Klebe, G. | Deposit date: | 2020-05-22 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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6Z47
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![BU of 6z47 by Molmil](/molmil-images/mine/6z47) | Smooth muscle myosin shutdown state heads region | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin heavy chain 11, ... | Authors: | Scarff, C.A, Carrington, G, Casas Mao, D, Chalovich, J.M, Knight, P.J, Ranson, N.A, Peckham, M. | Deposit date: | 2020-05-22 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Structure of the shutdown state of myosin-2. Nature, 588, 2020
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7QCU
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![BU of 7qcu by Molmil](/molmil-images/mine/7qcu) | Structure of the MUCIN-2 Cterminal domains partially deglycosylated. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mucin-2, ... | Authors: | Gallego, P, Hansson, G.C. | Deposit date: | 2021-11-25 | Release date: | 2023-03-08 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | The intestinal MUC2 mucin C-terminus is stabilized by an extra disulfide bond in comparison to von Willebrand factor and other gel-forming mucins. Nat Commun, 14, 2023
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7QCL
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![BU of 7qcl by Molmil](/molmil-images/mine/7qcl) | Structure of the MUCIN-2 Cterminal domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mucin-2, ... | Authors: | Gallego, P, Hansson, G.C. | Deposit date: | 2021-11-24 | Release date: | 2023-03-08 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | The intestinal MUC2 mucin C-terminus is stabilized by an extra disulfide bond in comparison to von Willebrand factor and other gel-forming mucins. Nat Commun, 14, 2023
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6ZDK
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![BU of 6zdk by Molmil](/molmil-images/mine/6zdk) | Structure of the catalytic domain of human endo-alpha-mannosidase MANEA in complex with HEPES and hexatungstotellurate(VI) TEW | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-tungstotellurate(VI), Glycoprotein endo-alpha-1,2-mannosidase, ... | Authors: | Sobala, L.F, Fernandes, P.Z, Hakki, Z, Thompson, A.J, Howe, J.D, Hill, M, Zitzmann, N, Davies, S, Stamataki, Z, Butters, T.D, Alonzi, D.S, Williams, S.J, Davies, G.J. | Deposit date: | 2020-06-14 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human endo-alpha-1,2-mannosidase (MANEA), an antiviral host-glycosylation target. Proc.Natl.Acad.Sci.USA, 117, 2020
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8SLV
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![BU of 8slv by Molmil](/molmil-images/mine/8slv) | Structure of a salivary alpha-glucosidase from the mosquito vector Aedes aegypti. | Descriptor: | 1,3-PROPANDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gittis, A.G, Williams, A.E, Garboczi, D, Calvo, E. | Deposit date: | 2023-04-24 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural and functional comparisons of salivary alpha-glucosidases from the mosquito vectors Aedes aegypti, Anopheles gambiae, and Culex quinquefasciatus. Insect Biochem.Mol.Biol., 167, 2024
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6ZJ8
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![BU of 6zj8 by Molmil](/molmil-images/mine/6zj8) | |
6ZLI
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![BU of 6zli by Molmil](/molmil-images/mine/6zli) | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | Descriptor: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZL5
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![BU of 6zl5 by Molmil](/molmil-images/mine/6zl5) | CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.645 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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