5G3A
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![BU of 5g3a by Molmil](/molmil-images/mine/5g3a) | PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 10 | Descriptor: | CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE | Authors: | Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H. | Deposit date: | 2016-04-25 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.224 Å) | Cite: | Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches Biochemistry, 55, 2016
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3LL5
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5G6L
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![BU of 5g6l by Molmil](/molmil-images/mine/5g6l) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl) quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2016-06-18 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.034 Å) | Cite: | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
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5G33
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![BU of 5g33 by Molmil](/molmil-images/mine/5g33) | Structure of Rad14 in complex with acetylnaphtyl-guanine containing DNA | Descriptor: | 5'-D(*GP*CP*TP*CP*TP*AP*MFOP*TP*CP*AP*TP*CP*AP*CP)-3', 5'-D(*GP*TP*GP*AP*TP*GP*AP*CP*GP*TP*AP*GP*AP*GP)-3', RAD14, ... | Authors: | Simon, N, Ebert, C, Schneider, S. | Deposit date: | 2016-04-18 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Bulky Adduct DNA Lesion Recognition by the Nucleotide Excision Repair Protein Rad14. Chemistry, 22, 2016
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3LIY
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![BU of 3liy by Molmil](/molmil-images/mine/3liy) | crystal structure of HTLV protease complexed with Statine-containing peptide inhibitor | Descriptor: | DI(HYDROXYETHYL)ETHER, Protease, statine-containing inhibitor | Authors: | Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A. | Deposit date: | 2010-01-25 | Release date: | 2010-07-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease. J.Mol.Biol., 401, 2010
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3LLR
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![BU of 3llr by Molmil](/molmil-images/mine/3llr) | Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION | Authors: | Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-29 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and histone binding ability characterizations of human PWWP domains. Plos One, 6, 2011
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5G2N
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![BU of 5g2n by Molmil](/molmil-images/mine/5g2n) | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | Descriptor: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | Deposit date: | 2016-04-11 | Release date: | 2016-04-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946) Chemmedchem, 11, 2016
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3LJG
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![BU of 3ljg by Molmil](/molmil-images/mine/3ljg) | Human MMP12 in complex with non-zinc chelating inhibitor | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | Authors: | Stura, E.A, Dive, V, Devel, L, Vera, L, Beau, F. | Deposit date: | 2010-01-26 | Release date: | 2010-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.313 Å) | Cite: | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. J.Biol.Chem., 285, 2010
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5G1U
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![BU of 5g1u by Molmil](/molmil-images/mine/5g1u) | Linalool Dehydratase Isomerase in complex with Geraniol | Descriptor: | Geraniol, LINALOOL DEHYDRATASE/ISOMERASE | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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3L8X
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![BU of 3l8x by Molmil](/molmil-images/mine/3l8x) | P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | Authors: | Sack, J.S. | Deposit date: | 2010-01-04 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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5G5S
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![BU of 5g5s by Molmil](/molmil-images/mine/5g5s) | Structure of the Argonaute protein from Methanocaldcoccus janaschii | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ARGONAUTE, MAGNESIUM ION | Authors: | Schneider, S, Oellig, C.A, Keegan, R, Grohmann, D, Zander, A, Willkomm, S. | Deposit date: | 2016-06-03 | Release date: | 2017-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural and mechanistic insights into an archaeal DNA-guided Argonaute protein. Nat Microbiol, 2, 2017
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3L9A
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![BU of 3l9a by Molmil](/molmil-images/mine/3l9a) | Structure of the C-terminal domain from a Streptococcus mutans hypothetical | Descriptor: | GLYCEROL, SODIUM ION, uncharacterized protein | Authors: | Singer, A.U, Cuff, M.E, Xu, X, Cui, H, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-01-04 | Release date: | 2010-04-07 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of the C-terminal domain from a Streptococcus mutans hypothetical To be Published
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5G44
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![BU of 5g44 by Molmil](/molmil-images/mine/5g44) | Ligand complex of RORg LBD | Descriptor: | (4-pyrimidin-5-ylphenyl)methanol, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, ... | Authors: | Xue, Y, Guo, H, Hillertz, P. | Deposit date: | 2016-05-04 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
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3LJQ
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5G45
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![BU of 5g45 by Molmil](/molmil-images/mine/5g45) | Ligand complex of RORg LBD | Descriptor: | 8-AMINO-3-QUINOLINOL, DIMETHYL SULFOXIDE, NUCLEAR RECEPTOR ROR-GAMMA, ... | Authors: | Xue, Y, Guo, H, Hillertz, P. | Deposit date: | 2016-05-04 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
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5G46
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![BU of 5g46 by Molmil](/molmil-images/mine/5g46) | Ligand complex of RORg LBD | Descriptor: | 2-ETHYL-4(1H)-QUINOLINONE, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ... | Authors: | Xue, Y, Guo, H, Hillertz, P. | Deposit date: | 2016-05-04 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
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3LK6
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![BU of 3lk6 by Molmil](/molmil-images/mine/3lk6) | |
5G4D
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![BU of 5g4d by Molmil](/molmil-images/mine/5g4d) | |
5G5Y
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![BU of 5g5y by Molmil](/molmil-images/mine/5g5y) | S.pneumoniae ABC-transporter substrate binding protein FusA apo structure | Descriptor: | ABC TRANSPORTER, SUBSTRATE-BINDING PROTEIN, CALCIUM ION, ... | Authors: | Culurgioni, S, Harris, G, Singh, A.K, King, S.J, Walsh, M.A. | Deposit date: | 2016-06-10 | Release date: | 2017-01-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Basis for Regulation and Specificity of Fructooligosaccharide Import in Streptococcus pneumoniae. Structure, 25, 2017
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6OHG
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![BU of 6ohg by Molmil](/molmil-images/mine/6ohg) | Structure of Plasmodium falciparum vaccine candidate Pfs230D1M in complex with the Fab of a transmission blocking antibody | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 4F12 Heavy chain, ... | Authors: | Garboczi, D.N, Singh, K, Gittis, A.G. | Deposit date: | 2019-04-05 | Release date: | 2020-06-17 | Last modified: | 2021-03-31 | Method: | X-RAY DIFFRACTION (2.385 Å) | Cite: | Structure and function of a malaria transmission blocking vaccine targeting Pfs230 and Pfs230-Pfs48/45 proteins. Commun Biol, 3, 2020
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5G1D
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![BU of 5g1d by Molmil](/molmil-images/mine/5g1d) | The complex structure of syntenin-1 PDZ domain with c-terminal extension | Descriptor: | SYNDECAN-4, SYNTENIN-1 | Authors: | Lee, I, Kim, H, Yun, J.H, Lee, W. | Deposit date: | 2016-03-25 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling. Sci.Rep., 6, 2016
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5G1E
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![BU of 5g1e by Molmil](/molmil-images/mine/5g1e) | The complex structure of syntenin-1 PDZ domain with c-terminal extension | Descriptor: | SYNTENIN-1 | Authors: | Lee, I, Kim, H, Yun, J.H, Lee, W. | Deposit date: | 2016-03-25 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | New Structural Insight of C-Terminal Region of Syntenin-1, Enhancing the Molecular Dimerization and Inhibitory Function Related on Syndecan-4 Signaling. Sci.Rep., 6, 2016
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3L9R
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![BU of 3l9r by Molmil](/molmil-images/mine/3l9r) | Crystal structure of bovine CD1b3 with endogenously bound ligands | Descriptor: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Girardi, E. | Deposit date: | 2010-01-05 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of bovine CD1b3 with endogenously bound ligands. J.Immunol., 185, 2010
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5G4S
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![BU of 5g4s by Molmil](/molmil-images/mine/5g4s) | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-N- ethyl-2-methoxybenzamide | Descriptor: | 1,2-ETHANEDIOL, N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide, PEREGRIN | Authors: | Chung, C. | Deposit date: | 2016-05-16 | Release date: | 2016-07-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Gsk6853, a Chemical Probe for Inhibition of the Brpf1 Bromodomain. Acs Med.Chem.Lett., 7, 2016
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3LN2
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![BU of 3ln2 by Molmil](/molmil-images/mine/3ln2) | |